USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 146:sc= 0.701 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0.639 USER MOD Set 2.1: A 78 SER OG : rot 8:sc= 0.00881 USER MOD Set 2.2: A 82 TYR OH : rot -176:sc= 1.25 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -100:sc= 0.545 (180deg=-0.83) USER MOD Set 3.2: A 70 GLN : amide:sc= -0.705! C(o=-0.16!,f=-2.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.84) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc=-0.00604 F(o=-0.54,f=-0.006) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.9) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-7.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=-0.062) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -1.95 F(o=-3.6!,f=-1.9) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.222 F(o=-1.4,f=-0.22) USER MOD Single : A 100 ASN : amide:sc= -0.959 K(o=-0.96,f=-6.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.879 2.820 7.715 1.00 0.00 N ATOM 119 CA VAL A 11 -20.156 2.626 6.464 1.00 0.00 C ATOM 120 C VAL A 11 -19.897 1.147 6.203 1.00 0.00 C ATOM 121 O VAL A 11 -19.891 0.333 7.127 1.00 0.00 O ATOM 122 CB VAL A 11 -18.812 3.378 6.471 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.027 4.855 6.764 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.860 2.759 7.484 1.00 0.00 C ATOM 0 HA VAL A 11 -20.785 3.027 5.669 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.362 3.290 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.066 5.369 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.670 5.288 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.499 4.967 7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.915 3.303 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.301 2.814 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.680 1.716 7.224 1.00 0.00 H new ATOM 134 N LYS A 12 -19.683 0.804 4.937 1.00 0.00 N ATOM 135 CA LYS A 12 -19.422 -0.578 4.552 1.00 0.00 C ATOM 136 C LYS A 12 -17.973 -0.957 4.839 1.00 0.00 C ATOM 137 O LYS A 12 -17.057 -0.171 4.599 1.00 0.00 O ATOM 138 CB LYS A 12 -19.729 -0.781 3.066 1.00 0.00 C ATOM 139 CG LYS A 12 -21.177 -1.146 2.789 1.00 0.00 C ATOM 140 CD LYS A 12 -21.543 -0.908 1.334 1.00 0.00 C ATOM 141 CE LYS A 12 -21.178 -2.101 0.464 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.494 -1.859 -0.971 1.00 0.00 N ATOM 0 H LYS A 12 -19.685 1.465 4.160 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.072 -1.224 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.483 0.133 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.083 -1.567 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.344 -2.193 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.831 -0.556 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.612 -0.712 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.028 -0.019 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.115 -2.316 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.718 -2.982 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.231 -2.695 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.513 -1.679 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.960 -1.034 -1.310 1.00 0.00 H new ATOM 156 N GLU A 13 -17.773 -2.167 5.352 1.00 0.00 N ATOM 157 CA GLU A 13 -16.434 -2.650 5.670 1.00 0.00 C ATOM 158 C GLU A 13 -15.786 -3.299 4.451 1.00 0.00 C ATOM 159 O GLU A 13 -16.076 -4.448 4.116 1.00 0.00 O ATOM 160 CB GLU A 13 -16.491 -3.652 6.825 1.00 0.00 C ATOM 161 CG GLU A 13 -17.112 -3.087 8.091 1.00 0.00 C ATOM 162 CD GLU A 13 -17.566 -4.170 9.052 1.00 0.00 C ATOM 163 OE1 GLU A 13 -16.700 -4.917 9.553 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.785 -4.270 9.301 1.00 0.00 O ATOM 0 H GLU A 13 -18.520 -2.830 5.556 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.828 -1.795 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.061 -4.525 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.481 -3.995 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.388 -2.443 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.964 -2.462 7.825 1.00 0.00 H new ATOM 171 N LEU A 14 -14.907 -2.554 3.789 1.00 0.00 N ATOM 172 CA LEU A 14 -14.216 -3.055 2.606 1.00 0.00 C ATOM 173 C LEU A 14 -12.950 -3.812 2.994 1.00 0.00 C ATOM 174 O LEU A 14 -12.303 -3.492 3.992 1.00 0.00 O ATOM 175 CB LEU A 14 -13.865 -1.898 1.668 1.00 0.00 C ATOM 176 CG LEU A 14 -14.983 -0.891 1.397 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.408 0.415 0.870 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.992 -1.466 0.415 1.00 0.00 C ATOM 0 H LEU A 14 -14.656 -1.601 4.052 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.885 -3.744 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.014 -1.362 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.540 -2.315 0.715 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.497 -0.686 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.218 1.120 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.724 0.835 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.869 0.227 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.781 -0.736 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.492 -1.701 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.428 -2.374 0.831 1.00 0.00 H new ATOM 190 N THR A 15 -12.600 -4.818 2.198 1.00 0.00 N ATOM 191 CA THR A 15 -11.412 -5.620 2.457 1.00 0.00 C ATOM 192 C THR A 15 -10.240 -5.159 1.598 1.00 0.00 C ATOM 193 O THR A 15 -10.144 -5.508 0.421 1.00 0.00 O ATOM 194 CB THR A 15 -11.673 -7.114 2.189 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.793 -7.561 2.962 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.448 -7.948 2.534 1.00 0.00 C ATOM 0 H THR A 15 -13.124 -5.096 1.368 1.00 0.00 H new ATOM 0 HA THR A 15 -11.163 -5.485 3.510 1.00 0.00 H new ATOM 0 HB THR A 15 -11.890 -7.238 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.954 -8.511 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.656 -9.000 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.604 -7.625 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.205 -7.818 3.589 1.00 0.00 H new ATOM 204 N VAL A 16 -9.348 -4.374 2.194 1.00 0.00 N ATOM 205 CA VAL A 16 -8.180 -3.867 1.483 1.00 0.00 C ATOM 206 C VAL A 16 -6.982 -4.793 1.663 1.00 0.00 C ATOM 207 O VAL A 16 -6.652 -5.187 2.782 1.00 0.00 O ATOM 208 CB VAL A 16 -7.800 -2.454 1.965 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.634 -1.909 1.154 1.00 0.00 C ATOM 210 CG2 VAL A 16 -8.999 -1.523 1.882 1.00 0.00 C ATOM 0 H VAL A 16 -9.412 -4.075 3.167 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.446 -3.824 0.427 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.489 -2.516 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.380 -0.910 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.772 -2.566 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.914 -1.860 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.713 -0.529 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.343 -1.464 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.802 -1.907 2.511 1.00 0.00 H new ATOM 220 N SER A 17 -6.335 -5.137 0.555 1.00 0.00 N ATOM 221 CA SER A 17 -5.175 -6.020 0.589 1.00 0.00 C ATOM 222 C SER A 17 -4.153 -5.615 -0.469 1.00 0.00 C ATOM 223 O SER A 17 -4.483 -5.477 -1.646 1.00 0.00 O ATOM 224 CB SER A 17 -5.606 -7.471 0.370 1.00 0.00 C ATOM 225 OG SER A 17 -4.729 -8.368 1.029 1.00 0.00 O ATOM 0 H SER A 17 -6.594 -4.818 -0.378 1.00 0.00 H new ATOM 0 HA SER A 17 -4.710 -5.931 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.621 -7.612 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.623 -7.692 -0.697 1.00 0.00 H new ATOM 0 HG SER A 17 -5.027 -9.289 0.875 1.00 0.00 H new ATOM 231 N ALA A 18 -2.909 -5.427 -0.040 1.00 0.00 N ATOM 232 CA ALA A 18 -1.838 -5.041 -0.949 1.00 0.00 C ATOM 233 C ALA A 18 -1.419 -6.211 -1.833 1.00 0.00 C ATOM 234 O ALA A 18 -1.131 -6.036 -3.016 1.00 0.00 O ATOM 235 CB ALA A 18 -0.644 -4.515 -0.165 1.00 0.00 C ATOM 0 H ALA A 18 -2.619 -5.536 0.932 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.212 -4.247 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.149 -4.230 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.946 -3.645 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.278 -5.292 0.506 1.00 0.00 H new ATOM 241 N GLY A 19 -1.385 -7.405 -1.249 1.00 0.00 N ATOM 242 CA GLY A 19 -0.999 -8.586 -1.998 1.00 0.00 C ATOM 243 C GLY A 19 -0.225 -9.580 -1.156 1.00 0.00 C ATOM 244 O GLY A 19 -0.733 -10.652 -0.825 1.00 0.00 O ATOM 0 H GLY A 19 -1.618 -7.575 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.892 -9.069 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.392 -8.288 -2.853 1.00 0.00 H new ATOM 248 N ASP A 20 1.007 -9.226 -0.809 1.00 0.00 N ATOM 249 CA ASP A 20 1.854 -10.095 0.000 1.00 0.00 C ATOM 250 C ASP A 20 3.160 -9.396 0.364 1.00 0.00 C ATOM 251 O ASP A 20 3.466 -8.322 -0.153 1.00 0.00 O ATOM 252 CB ASP A 20 2.148 -11.396 -0.748 1.00 0.00 C ATOM 253 CG ASP A 20 2.584 -12.512 0.181 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.866 -12.776 1.168 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.643 -13.121 -0.079 1.00 0.00 O ATOM 0 H ASP A 20 1.442 -8.343 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 20 1.319 -10.328 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.257 -11.708 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.928 -11.218 -1.488 1.00 0.00 H new ATOM 260 N ASN A 21 3.927 -10.013 1.257 1.00 0.00 N ATOM 261 CA ASN A 21 5.200 -9.449 1.691 1.00 0.00 C ATOM 262 C ASN A 21 6.193 -9.393 0.534 1.00 0.00 C ATOM 263 O ASN A 21 6.377 -10.373 -0.189 1.00 0.00 O ATOM 264 CB ASN A 21 5.783 -10.277 2.838 1.00 0.00 C ATOM 265 CG ASN A 21 5.793 -11.762 2.533 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.527 -12.222 1.658 1.00 0.00 O ATOM 267 ND2 ASN A 21 4.976 -12.520 3.255 1.00 0.00 N ATOM 0 H ASN A 21 3.689 -10.903 1.694 1.00 0.00 H new ATOM 0 HA ASN A 21 5.019 -8.433 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.801 -9.944 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.202 -10.099 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.939 -13.527 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.385 -12.096 3.970 1.00 0.00 H new ATOM 274 N LEU A 22 6.831 -8.240 0.365 1.00 0.00 N ATOM 275 CA LEU A 22 7.806 -8.055 -0.704 1.00 0.00 C ATOM 276 C LEU A 22 9.218 -7.941 -0.139 1.00 0.00 C ATOM 277 O LEU A 22 9.435 -7.303 0.892 1.00 0.00 O ATOM 278 CB LEU A 22 7.468 -6.806 -1.519 1.00 0.00 C ATOM 279 CG LEU A 22 6.013 -6.672 -1.971 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.472 -8.016 -2.432 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.156 -6.107 -0.847 1.00 0.00 C ATOM 0 H LEU A 22 6.691 -7.419 0.954 1.00 0.00 H new ATOM 0 HA LEU A 22 7.764 -8.928 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.725 -5.929 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.105 -6.790 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 22 5.976 -5.980 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.436 -7.901 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.069 -8.382 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.522 -8.730 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.124 -6.018 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.199 -6.774 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.530 -5.123 -0.563 1.00 0.00 H new ATOM 293 N ILE A 23 10.175 -8.562 -0.821 1.00 0.00 N ATOM 294 CA ILE A 23 11.566 -8.526 -0.388 1.00 0.00 C ATOM 295 C ILE A 23 12.494 -8.179 -1.547 1.00 0.00 C ATOM 296 O ILE A 23 12.470 -8.831 -2.592 1.00 0.00 O ATOM 297 CB ILE A 23 12.002 -9.874 0.217 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.153 -10.204 1.446 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.479 -9.839 0.580 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.158 -11.673 1.808 1.00 0.00 C ATOM 0 H ILE A 23 10.012 -9.096 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 23 11.638 -7.753 0.377 1.00 0.00 H new ATOM 0 HB ILE A 23 11.850 -10.656 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.519 -9.628 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.126 -9.887 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.772 -10.799 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.069 -9.644 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.656 -9.049 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.536 -11.833 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.764 -12.254 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.178 -11.991 2.022 1.00 0.00 H new ATOM 312 N ILE A 24 13.311 -7.149 -1.356 1.00 0.00 N ATOM 313 CA ILE A 24 14.249 -6.717 -2.385 1.00 0.00 C ATOM 314 C ILE A 24 15.691 -6.866 -1.911 1.00 0.00 C ATOM 315 O ILE A 24 15.951 -7.044 -0.721 1.00 0.00 O ATOM 316 CB ILE A 24 14.003 -5.252 -2.792 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.478 -4.450 -1.599 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.025 -5.183 -3.955 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.155 -3.011 -1.934 1.00 0.00 C ATOM 0 H ILE A 24 13.343 -6.598 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 24 14.085 -7.358 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 24 14.949 -4.815 -3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.582 -4.935 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.221 -4.471 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.861 -4.141 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.435 -5.724 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.077 -5.634 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.788 -2.503 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.054 -2.510 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.389 -2.981 -2.709 1.00 0.00 H new ATOM 331 N THR A 25 16.628 -6.789 -2.852 1.00 0.00 N ATOM 332 CA THR A 25 18.044 -6.914 -2.532 1.00 0.00 C ATOM 333 C THR A 25 18.870 -5.872 -3.278 1.00 0.00 C ATOM 334 O THR A 25 18.769 -5.742 -4.498 1.00 0.00 O ATOM 335 CB THR A 25 18.576 -8.318 -2.876 1.00 0.00 C ATOM 336 OG1 THR A 25 17.870 -9.308 -2.121 1.00 0.00 O ATOM 337 CG2 THR A 25 20.066 -8.418 -2.586 1.00 0.00 C ATOM 0 H THR A 25 16.431 -6.641 -3.842 1.00 0.00 H new ATOM 0 HA THR A 25 18.141 -6.750 -1.459 1.00 0.00 H new ATOM 0 HB THR A 25 18.417 -8.492 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.213 -10.198 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.419 -9.418 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.603 -7.683 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.245 -8.225 -1.528 1.00 0.00 H new ATOM 345 N LEU A 26 19.689 -5.133 -2.538 1.00 0.00 N ATOM 346 CA LEU A 26 20.535 -4.102 -3.130 1.00 0.00 C ATOM 347 C LEU A 26 21.324 -4.658 -4.311 1.00 0.00 C ATOM 348 O LEU A 26 21.567 -5.860 -4.417 1.00 0.00 O ATOM 349 CB LEU A 26 21.495 -3.538 -2.081 1.00 0.00 C ATOM 350 CG LEU A 26 20.902 -2.516 -1.110 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.975 -1.988 -0.170 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.249 -1.372 -1.873 1.00 0.00 C ATOM 0 H LEU A 26 19.785 -5.228 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 26 19.890 -3.301 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.898 -4.369 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.335 -3.074 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 26 20.137 -3.012 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.535 -1.262 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.397 -2.815 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.763 -1.508 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.832 -0.654 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.995 -0.877 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.452 -1.764 -2.504 1.00 0.00 H new ATOM 364 N PRO A 27 21.737 -3.763 -5.220 1.00 0.00 N ATOM 365 CA PRO A 27 21.454 -2.329 -5.105 1.00 0.00 C ATOM 366 C PRO A 27 19.978 -2.011 -5.318 1.00 0.00 C ATOM 367 O PRO A 27 19.496 -0.954 -4.911 1.00 0.00 O ATOM 368 CB PRO A 27 22.301 -1.710 -6.220 1.00 0.00 C ATOM 369 CG PRO A 27 22.468 -2.801 -7.220 1.00 0.00 C ATOM 370 CD PRO A 27 22.512 -4.081 -6.432 1.00 0.00 C ATOM 0 HA PRO A 27 21.687 -1.946 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.806 -0.844 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.265 -1.369 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.642 -2.809 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.383 -2.666 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.070 -4.909 -6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.535 -4.369 -6.191 1.00 0.00 H new ATOM 378 N ASP A 28 19.265 -2.932 -5.958 1.00 0.00 N ATOM 379 CA ASP A 28 17.843 -2.749 -6.223 1.00 0.00 C ATOM 380 C ASP A 28 17.108 -2.299 -4.965 1.00 0.00 C ATOM 381 O ASP A 28 16.879 -3.091 -4.052 1.00 0.00 O ATOM 382 CB ASP A 28 17.230 -4.048 -6.749 1.00 0.00 C ATOM 383 CG ASP A 28 17.296 -4.149 -8.261 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.676 -3.304 -8.940 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.968 -5.073 -8.764 1.00 0.00 O ATOM 0 H ASP A 28 19.649 -3.812 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 28 17.737 -1.972 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.752 -4.897 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.190 -4.111 -6.429 1.00 0.00 H new ATOM 390 N ASN A 29 16.744 -1.022 -4.923 1.00 0.00 N ATOM 391 CA ASN A 29 16.037 -0.465 -3.776 1.00 0.00 C ATOM 392 C ASN A 29 14.672 0.078 -4.188 1.00 0.00 C ATOM 393 O ASN A 29 14.115 0.952 -3.525 1.00 0.00 O ATOM 394 CB ASN A 29 16.866 0.646 -3.129 1.00 0.00 C ATOM 395 CG ASN A 29 17.154 1.785 -4.088 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.260 2.266 -4.785 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.408 2.221 -4.128 1.00 0.00 N ATOM 0 H ASN A 29 16.927 -0.353 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 29 15.886 -1.265 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.335 1.032 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.807 0.231 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.663 2.985 -4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.116 1.792 -3.532 1.00 0.00 H new ATOM 404 N GLU A 30 14.139 -0.448 -5.287 1.00 0.00 N ATOM 405 CA GLU A 30 12.840 -0.016 -5.788 1.00 0.00 C ATOM 406 C GLU A 30 11.810 -1.136 -5.669 1.00 0.00 C ATOM 407 O GLU A 30 12.112 -2.301 -5.925 1.00 0.00 O ATOM 408 CB GLU A 30 12.954 0.434 -7.246 1.00 0.00 C ATOM 409 CG GLU A 30 14.120 1.374 -7.503 1.00 0.00 C ATOM 410 CD GLU A 30 14.136 1.908 -8.922 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.705 1.233 -9.805 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.579 3.003 -9.150 1.00 0.00 O ATOM 0 H GLU A 30 14.587 -1.174 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 30 12.508 0.826 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.060 -0.445 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.028 0.929 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.069 2.209 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.055 0.850 -7.305 1.00 0.00 H new ATOM 419 N VAL A 31 10.593 -0.773 -5.277 1.00 0.00 N ATOM 420 CA VAL A 31 9.518 -1.746 -5.124 1.00 0.00 C ATOM 421 C VAL A 31 8.160 -1.113 -5.405 1.00 0.00 C ATOM 422 O VAL A 31 7.905 0.027 -5.020 1.00 0.00 O ATOM 423 CB VAL A 31 9.507 -2.353 -3.708 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.425 -1.255 -2.658 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.354 -3.333 -3.558 1.00 0.00 C ATOM 0 H VAL A 31 10.327 0.187 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 31 9.703 -2.539 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 31 10.439 -2.898 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.418 -1.702 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.287 -0.595 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.510 -0.680 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.361 -3.752 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.411 -2.814 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.462 -4.136 -4.287 1.00 0.00 H new ATOM 435 N GLU A 32 7.291 -1.862 -6.077 1.00 0.00 N ATOM 436 CA GLU A 32 5.958 -1.373 -6.410 1.00 0.00 C ATOM 437 C GLU A 32 4.887 -2.162 -5.662 1.00 0.00 C ATOM 438 O GLU A 32 4.891 -3.394 -5.666 1.00 0.00 O ATOM 439 CB GLU A 32 5.717 -1.468 -7.918 1.00 0.00 C ATOM 440 CG GLU A 32 4.252 -1.373 -8.307 1.00 0.00 C ATOM 441 CD GLU A 32 3.574 -2.728 -8.361 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.938 -3.538 -9.239 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.679 -2.978 -7.527 1.00 0.00 O ATOM 0 H GLU A 32 7.486 -2.809 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 32 5.895 -0.328 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.269 -0.671 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.121 -2.412 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.730 -0.738 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.169 -0.890 -9.281 1.00 0.00 H new ATOM 450 N LEU A 33 3.972 -1.444 -5.020 1.00 0.00 N ATOM 451 CA LEU A 33 2.895 -2.076 -4.267 1.00 0.00 C ATOM 452 C LEU A 33 1.532 -1.639 -4.795 1.00 0.00 C ATOM 453 O LEU A 33 1.309 -0.459 -5.068 1.00 0.00 O ATOM 454 CB LEU A 33 3.013 -1.730 -2.781 1.00 0.00 C ATOM 455 CG LEU A 33 4.412 -1.847 -2.175 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.551 -0.926 -0.973 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.705 -3.287 -1.782 1.00 0.00 C ATOM 0 H LEU A 33 3.955 -0.424 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 33 2.984 -3.155 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.660 -0.709 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.341 -2.381 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 33 5.139 -1.542 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.553 -1.023 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.385 0.106 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.814 -1.200 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.705 -3.351 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.972 -3.620 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.648 -3.924 -2.665 1.00 0.00 H new ATOM 469 N LYS A 34 0.622 -2.597 -4.934 1.00 0.00 N ATOM 470 CA LYS A 34 -0.721 -2.312 -5.425 1.00 0.00 C ATOM 471 C LYS A 34 -1.768 -2.623 -4.361 1.00 0.00 C ATOM 472 O LYS A 34 -1.622 -3.574 -3.593 1.00 0.00 O ATOM 473 CB LYS A 34 -1.007 -3.125 -6.690 1.00 0.00 C ATOM 474 CG LYS A 34 -2.226 -2.646 -7.459 1.00 0.00 C ATOM 475 CD LYS A 34 -2.108 -2.958 -8.941 1.00 0.00 C ATOM 476 CE LYS A 34 -3.452 -2.843 -9.643 1.00 0.00 C ATOM 477 NZ LYS A 34 -4.345 -3.992 -9.324 1.00 0.00 N ATOM 0 H LYS A 34 0.790 -3.579 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.775 -1.250 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.136 -3.082 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.149 -4.170 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.121 -3.121 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.345 -1.571 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.396 -2.274 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.713 -3.966 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.938 -1.913 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.296 -2.793 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.321 -4.678 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.020 -4.452 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.318 -3.650 -9.194 1.00 0.00 H new ATOM 491 N ALA A 35 -2.823 -1.816 -4.321 1.00 0.00 N ATOM 492 CA ALA A 35 -3.895 -2.008 -3.353 1.00 0.00 C ATOM 493 C ALA A 35 -5.113 -2.654 -4.004 1.00 0.00 C ATOM 494 O ALA A 35 -5.558 -2.230 -5.070 1.00 0.00 O ATOM 495 CB ALA A 35 -4.277 -0.679 -2.718 1.00 0.00 C ATOM 0 H ALA A 35 -2.958 -1.023 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.532 -2.679 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.079 -0.837 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.410 -0.256 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.616 0.010 -3.492 1.00 0.00 H new ATOM 501 N PHE A 36 -5.648 -3.684 -3.355 1.00 0.00 N ATOM 502 CA PHE A 36 -6.814 -4.391 -3.872 1.00 0.00 C ATOM 503 C PHE A 36 -7.984 -4.296 -2.897 1.00 0.00 C ATOM 504 O PHE A 36 -7.937 -4.849 -1.798 1.00 0.00 O ATOM 505 CB PHE A 36 -6.472 -5.859 -4.135 1.00 0.00 C ATOM 506 CG PHE A 36 -5.528 -6.057 -5.286 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.010 -6.212 -6.576 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.158 -6.089 -5.078 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.143 -6.395 -7.638 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.287 -6.270 -6.136 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.780 -6.425 -7.417 1.00 0.00 C ATOM 0 H PHE A 36 -5.292 -4.047 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.107 -3.920 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.031 -6.288 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.392 -6.409 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.075 -6.190 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.767 -5.971 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.531 -6.514 -8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.221 -6.290 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.101 -6.569 -8.244 1.00 0.00 H new ATOM 521 N VAL A 37 -9.033 -3.591 -3.307 1.00 0.00 N ATOM 522 CA VAL A 37 -10.216 -3.423 -2.471 1.00 0.00 C ATOM 523 C VAL A 37 -11.395 -4.216 -3.022 1.00 0.00 C ATOM 524 O VAL A 37 -11.748 -4.089 -4.195 1.00 0.00 O ATOM 525 CB VAL A 37 -10.617 -1.941 -2.356 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.775 -1.774 -1.384 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.425 -1.098 -1.928 1.00 0.00 C ATOM 0 H VAL A 37 -9.088 -3.127 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.959 -3.799 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.945 -1.595 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.044 -0.720 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.633 -2.345 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.479 -2.137 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.727 -0.053 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.064 -1.443 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.629 -1.193 -2.666 1.00 0.00 H new ATOM 537 N ALA A 38 -12.002 -5.034 -2.169 1.00 0.00 N ATOM 538 CA ALA A 38 -13.144 -5.846 -2.570 1.00 0.00 C ATOM 539 C ALA A 38 -14.373 -5.519 -1.729 1.00 0.00 C ATOM 540 O ALA A 38 -14.291 -5.323 -0.516 1.00 0.00 O ATOM 541 CB ALA A 38 -12.805 -7.325 -2.459 1.00 0.00 C ATOM 0 H ALA A 38 -11.722 -5.152 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.375 -5.614 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.667 -7.920 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.960 -7.554 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.545 -7.562 -1.427 1.00 0.00 H new ATOM 547 N PRO A 39 -15.541 -5.456 -2.385 1.00 0.00 N ATOM 548 CA PRO A 39 -15.651 -5.686 -3.829 1.00 0.00 C ATOM 549 C PRO A 39 -15.020 -4.563 -4.645 1.00 0.00 C ATOM 550 O PRO A 39 -14.758 -3.478 -4.126 1.00 0.00 O ATOM 551 CB PRO A 39 -17.163 -5.736 -4.066 1.00 0.00 C ATOM 552 CG PRO A 39 -17.747 -4.938 -2.952 1.00 0.00 C ATOM 553 CD PRO A 39 -16.844 -5.155 -1.769 1.00 0.00 C ATOM 0 HA PRO A 39 -15.127 -6.590 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.426 -5.314 -5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.532 -6.762 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.799 -3.881 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.764 -5.262 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.794 -4.270 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.192 -5.977 -1.143 1.00 0.00 H new ATOM 561 N ALA A 40 -14.779 -4.831 -5.924 1.00 0.00 N ATOM 562 CA ALA A 40 -14.181 -3.842 -6.812 1.00 0.00 C ATOM 563 C ALA A 40 -15.185 -2.753 -7.175 1.00 0.00 C ATOM 564 O ALA A 40 -16.372 -3.010 -7.376 1.00 0.00 O ATOM 565 CB ALA A 40 -13.650 -4.514 -8.069 1.00 0.00 C ATOM 0 H ALA A 40 -14.989 -5.725 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.350 -3.373 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.206 -3.763 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.894 -5.250 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.469 -5.010 -8.590 1.00 0.00 H new ATOM 571 N PRO A 41 -14.700 -1.505 -7.262 1.00 0.00 N ATOM 572 CA PRO A 41 -15.538 -0.352 -7.602 1.00 0.00 C ATOM 573 C PRO A 41 -16.000 -0.378 -9.055 1.00 0.00 C ATOM 574 O PRO A 41 -15.368 -0.984 -9.921 1.00 0.00 O ATOM 575 CB PRO A 41 -14.614 0.843 -7.356 1.00 0.00 C ATOM 576 CG PRO A 41 -13.237 0.298 -7.520 1.00 0.00 C ATOM 577 CD PRO A 41 -13.295 -1.125 -7.036 1.00 0.00 C ATOM 0 HA PRO A 41 -16.455 -0.328 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.809 1.647 -8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.760 1.257 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.921 0.343 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.516 0.878 -6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.611 -1.767 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.022 -1.203 -5.984 1.00 0.00 H new ATOM 585 N PRO A 42 -17.127 0.294 -9.330 1.00 0.00 N ATOM 586 CA PRO A 42 -17.698 0.363 -10.679 1.00 0.00 C ATOM 587 C PRO A 42 -16.849 1.205 -11.625 1.00 0.00 C ATOM 588 O PRO A 42 -15.697 1.520 -11.328 1.00 0.00 O ATOM 589 CB PRO A 42 -19.061 1.022 -10.454 1.00 0.00 C ATOM 590 CG PRO A 42 -18.898 1.812 -9.201 1.00 0.00 C ATOM 591 CD PRO A 42 -17.932 1.038 -8.347 1.00 0.00 C ATOM 0 HA PRO A 42 -17.756 -0.619 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.334 1.662 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.849 0.276 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.516 2.810 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.854 1.939 -8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.314 1.699 -7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.450 0.367 -7.662 1.00 0.00 H new ATOM 599 N VAL A 43 -17.425 1.567 -12.767 1.00 0.00 N ATOM 600 CA VAL A 43 -16.722 2.374 -13.757 1.00 0.00 C ATOM 601 C VAL A 43 -16.822 3.859 -13.426 1.00 0.00 C ATOM 602 O VAL A 43 -16.132 4.685 -14.023 1.00 0.00 O ATOM 603 CB VAL A 43 -17.278 2.136 -15.173 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.793 2.271 -15.182 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.642 3.099 -16.164 1.00 0.00 C ATOM 0 H VAL A 43 -18.378 1.314 -13.029 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.676 2.068 -13.730 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.027 1.120 -15.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.168 2.099 -16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.228 1.537 -14.504 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.071 3.274 -14.857 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.047 2.916 -17.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.860 4.125 -15.866 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.563 2.947 -16.178 1.00 0.00 H new ATOM 615 N GLU A 44 -17.686 4.190 -12.472 1.00 0.00 N ATOM 616 CA GLU A 44 -17.877 5.577 -12.063 1.00 0.00 C ATOM 617 C GLU A 44 -17.270 5.826 -10.685 1.00 0.00 C ATOM 618 O GLU A 44 -16.267 6.528 -10.553 1.00 0.00 O ATOM 619 CB GLU A 44 -19.366 5.927 -12.047 1.00 0.00 C ATOM 620 CG GLU A 44 -20.005 5.932 -13.426 1.00 0.00 C ATOM 621 CD GLU A 44 -21.436 6.433 -13.404 1.00 0.00 C ATOM 622 OE1 GLU A 44 -22.342 5.626 -13.108 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.650 7.632 -13.682 1.00 0.00 O ATOM 0 H GLU A 44 -18.264 3.518 -11.968 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.369 6.215 -12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.892 5.212 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.495 6.909 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.415 6.559 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.984 4.922 -13.836 1.00 0.00 H new ATOM 630 N THR A 45 -17.886 5.245 -9.660 1.00 0.00 N ATOM 631 CA THR A 45 -17.409 5.405 -8.292 1.00 0.00 C ATOM 632 C THR A 45 -16.050 4.740 -8.102 1.00 0.00 C ATOM 633 O THR A 45 -15.936 3.514 -8.137 1.00 0.00 O ATOM 634 CB THR A 45 -18.404 4.811 -7.277 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.693 5.410 -7.447 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.920 5.032 -5.852 1.00 0.00 C ATOM 0 H THR A 45 -18.716 4.660 -9.752 1.00 0.00 H new ATOM 0 HA THR A 45 -17.315 6.476 -8.114 1.00 0.00 H new ATOM 0 HB THR A 45 -18.476 3.738 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.320 5.026 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.639 4.604 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.952 4.550 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.822 6.101 -5.663 1.00 0.00 H new ATOM 644 N THR A 46 -15.020 5.556 -7.901 1.00 0.00 N ATOM 645 CA THR A 46 -13.668 5.047 -7.706 1.00 0.00 C ATOM 646 C THR A 46 -13.171 5.335 -6.294 1.00 0.00 C ATOM 647 O THR A 46 -13.356 6.434 -5.772 1.00 0.00 O ATOM 648 CB THR A 46 -12.685 5.662 -8.720 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.661 7.087 -8.577 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.076 5.296 -10.144 1.00 0.00 C ATOM 0 H THR A 46 -15.096 6.573 -7.869 1.00 0.00 H new ATOM 0 HA THR A 46 -13.710 3.969 -7.860 1.00 0.00 H new ATOM 0 HB THR A 46 -11.692 5.261 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.032 7.470 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.367 5.742 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.064 4.212 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.077 5.672 -10.354 1.00 0.00 H new ATOM 658 N TYR A 47 -12.537 4.341 -5.682 1.00 0.00 N ATOM 659 CA TYR A 47 -12.014 4.486 -4.329 1.00 0.00 C ATOM 660 C TYR A 47 -10.656 5.182 -4.342 1.00 0.00 C ATOM 661 O TYR A 47 -9.920 5.112 -5.325 1.00 0.00 O ATOM 662 CB TYR A 47 -11.893 3.118 -3.656 1.00 0.00 C ATOM 663 CG TYR A 47 -13.196 2.353 -3.599 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.358 2.956 -3.135 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.264 1.028 -4.011 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.551 2.261 -3.081 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.453 0.325 -3.962 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.593 0.946 -3.496 1.00 0.00 C ATOM 669 OH TYR A 47 -16.779 0.250 -3.445 1.00 0.00 O ATOM 0 H TYR A 47 -12.373 3.426 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.712 5.101 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.155 2.522 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.516 3.253 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.329 3.986 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.373 0.539 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.445 2.744 -2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.489 -0.704 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.637 -0.662 -3.774 1.00 0.00 H new ATOM 679 N ASN A 48 -10.331 5.852 -3.241 1.00 0.00 N ATOM 680 CA ASN A 48 -9.062 6.561 -3.124 1.00 0.00 C ATOM 681 C ASN A 48 -8.055 5.744 -2.319 1.00 0.00 C ATOM 682 O ASN A 48 -8.409 5.107 -1.327 1.00 0.00 O ATOM 683 CB ASN A 48 -9.274 7.924 -2.464 1.00 0.00 C ATOM 684 CG ASN A 48 -8.080 8.843 -2.637 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.034 8.607 -1.853 1.00 0.00 O flip ATOM 686 ND2 ASN A 48 -8.097 9.753 -3.466 1.00 0.00 N flip ATOM 0 H ASN A 48 -10.929 5.919 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.663 6.710 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.158 8.398 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.470 7.783 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.922 9.898 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.286 10.362 -3.571 1.00 0.00 H new ATOM 693 N TYR A 49 -6.800 5.770 -2.753 1.00 0.00 N ATOM 694 CA TYR A 49 -5.742 5.031 -2.074 1.00 0.00 C ATOM 695 C TYR A 49 -4.780 5.982 -1.369 1.00 0.00 C ATOM 696 O TYR A 49 -4.097 6.779 -2.010 1.00 0.00 O ATOM 697 CB TYR A 49 -4.977 4.161 -3.073 1.00 0.00 C ATOM 698 CG TYR A 49 -5.871 3.426 -4.046 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.261 4.014 -5.243 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.325 2.143 -3.768 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.078 3.346 -6.133 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.142 1.467 -4.654 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.516 2.073 -5.835 1.00 0.00 C ATOM 704 OH TYR A 49 -8.330 1.404 -6.720 1.00 0.00 O ATOM 0 H TYR A 49 -6.490 6.294 -3.571 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.205 4.390 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.284 4.789 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.377 3.435 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.919 5.010 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.035 1.666 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.373 3.818 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.486 0.470 -4.423 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.547 0.519 -6.360 1.00 0.00 H new ATOM 714 N GLU A 50 -4.732 5.889 -0.043 1.00 0.00 N ATOM 715 CA GLU A 50 -3.854 6.741 0.750 1.00 0.00 C ATOM 716 C GLU A 50 -2.824 5.906 1.507 1.00 0.00 C ATOM 717 O GLU A 50 -3.147 5.258 2.502 1.00 0.00 O ATOM 718 CB GLU A 50 -4.672 7.578 1.735 1.00 0.00 C ATOM 719 CG GLU A 50 -3.826 8.294 2.774 1.00 0.00 C ATOM 720 CD GLU A 50 -4.650 9.186 3.683 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.890 10.353 3.309 1.00 0.00 O ATOM 722 OE2 GLU A 50 -5.054 8.717 4.768 1.00 0.00 O ATOM 0 H GLU A 50 -5.290 5.233 0.503 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.326 7.408 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.251 8.316 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.386 6.930 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.297 7.556 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.069 8.895 2.270 1.00 0.00 H new ATOM 729 N TRP A 51 -1.586 5.927 1.027 1.00 0.00 N ATOM 730 CA TRP A 51 -0.509 5.172 1.657 1.00 0.00 C ATOM 731 C TRP A 51 0.176 6.001 2.738 1.00 0.00 C ATOM 732 O TRP A 51 0.175 7.230 2.684 1.00 0.00 O ATOM 733 CB TRP A 51 0.513 4.731 0.609 1.00 0.00 C ATOM 734 CG TRP A 51 -0.040 3.760 -0.389 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.711 4.060 -1.540 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.028 2.331 -0.323 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.064 2.904 -2.194 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.621 1.830 -1.468 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.576 1.427 0.591 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.737 0.465 -1.720 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.460 0.073 0.339 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.192 -0.397 -0.809 1.00 0.00 C ATOM 0 H TRP A 51 -1.303 6.458 0.204 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.943 4.288 2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.885 5.610 0.082 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.366 4.277 1.113 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.932 5.059 -1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.573 2.854 -3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.081 1.780 1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.240 0.100 -2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.879 -0.635 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.266 -1.461 -0.978 1.00 0.00 H new ATOM 753 N ASN A 52 0.762 5.320 3.718 1.00 0.00 N ATOM 754 CA ASN A 52 1.452 5.995 4.811 1.00 0.00 C ATOM 755 C ASN A 52 2.411 5.043 5.519 1.00 0.00 C ATOM 756 O ASN A 52 2.192 3.831 5.549 1.00 0.00 O ATOM 757 CB ASN A 52 0.439 6.554 5.812 1.00 0.00 C ATOM 758 CG ASN A 52 -0.099 7.909 5.395 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.613 8.913 5.440 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.362 7.944 4.986 1.00 0.00 N ATOM 0 H ASN A 52 0.773 4.302 3.777 1.00 0.00 H new ATOM 0 HA ASN A 52 2.030 6.818 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.390 5.853 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.909 6.639 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.779 8.828 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.915 7.087 4.965 1.00 0.00 H new ATOM 767 N LEU A 53 3.475 5.599 6.088 1.00 0.00 N ATOM 768 CA LEU A 53 4.468 4.800 6.797 1.00 0.00 C ATOM 769 C LEU A 53 4.278 4.909 8.307 1.00 0.00 C ATOM 770 O LEU A 53 4.352 5.999 8.875 1.00 0.00 O ATOM 771 CB LEU A 53 5.880 5.251 6.417 1.00 0.00 C ATOM 772 CG LEU A 53 7.014 4.300 6.801 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.711 2.888 6.326 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.336 4.786 6.224 1.00 0.00 C ATOM 0 H LEU A 53 3.672 6.600 6.072 1.00 0.00 H new ATOM 0 HA LEU A 53 4.334 3.758 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.912 5.406 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.069 6.217 6.884 1.00 0.00 H new ATOM 0 HG LEU A 53 7.098 4.286 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.529 2.226 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.787 2.540 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.599 2.885 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.132 4.097 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.264 4.830 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.560 5.779 6.614 1.00 0.00 H new ATOM 786 N ILE A 54 4.033 3.772 8.950 1.00 0.00 N ATOM 787 CA ILE A 54 3.836 3.739 10.394 1.00 0.00 C ATOM 788 C ILE A 54 4.995 3.037 11.092 1.00 0.00 C ATOM 789 O ILE A 54 5.365 3.390 12.211 1.00 0.00 O ATOM 790 CB ILE A 54 2.521 3.028 10.766 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.458 1.648 10.109 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.326 3.874 10.351 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.787 1.655 8.753 1.00 0.00 C ATOM 0 H ILE A 54 3.966 2.862 8.494 1.00 0.00 H new ATOM 0 HA ILE A 54 3.788 4.775 10.729 1.00 0.00 H new ATOM 0 HB ILE A 54 2.490 2.896 11.848 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.470 1.259 10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.921 0.965 10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.404 3.359 10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.366 4.836 10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.350 4.034 9.273 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.778 0.644 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.763 2.014 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.336 2.312 8.079 1.00 0.00 H new ATOM 805 N SER A 55 5.567 2.041 10.422 1.00 0.00 N ATOM 806 CA SER A 55 6.684 1.287 10.978 1.00 0.00 C ATOM 807 C SER A 55 7.920 1.414 10.092 1.00 0.00 C ATOM 808 O SER A 55 7.920 0.976 8.941 1.00 0.00 O ATOM 809 CB SER A 55 6.304 -0.186 11.136 1.00 0.00 C ATOM 810 OG SER A 55 5.741 -0.434 12.412 1.00 0.00 O ATOM 0 H SER A 55 5.275 1.738 9.493 1.00 0.00 H new ATOM 0 HA SER A 55 6.918 1.701 11.959 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.591 -0.466 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.187 -0.809 10.998 1.00 0.00 H new ATOM 0 HG SER A 55 5.505 -1.382 12.487 1.00 0.00 H new ATOM 816 N HIS A 56 8.972 2.017 10.637 1.00 0.00 N ATOM 817 CA HIS A 56 10.215 2.201 9.898 1.00 0.00 C ATOM 818 C HIS A 56 11.385 2.428 10.850 1.00 0.00 C ATOM 819 O HIS A 56 11.246 3.043 11.908 1.00 0.00 O ATOM 820 CB HIS A 56 10.090 3.383 8.935 1.00 0.00 C ATOM 821 CG HIS A 56 10.150 4.717 9.613 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.236 5.138 10.350 1.00 0.00 N ATOM 823 CD2 HIS A 56 9.249 5.726 9.661 1.00 0.00 C ATOM 824 CE1 HIS A 56 11.001 6.349 10.823 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.802 6.729 10.419 1.00 0.00 N ATOM 0 H HIS A 56 8.988 2.386 11.588 1.00 0.00 H new ATOM 0 HA HIS A 56 10.406 1.293 9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.888 3.324 8.195 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.147 3.302 8.394 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.088 4.599 10.506 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.277 5.740 9.191 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.675 6.930 11.436 1.00 0.00 H new ATOM 834 N PRO A 57 12.567 1.920 10.469 1.00 0.00 N ATOM 835 CA PRO A 57 13.784 2.054 11.275 1.00 0.00 C ATOM 836 C PRO A 57 14.301 3.489 11.309 1.00 0.00 C ATOM 837 O PRO A 57 13.995 4.292 10.427 1.00 0.00 O ATOM 838 CB PRO A 57 14.784 1.142 10.561 1.00 0.00 C ATOM 839 CG PRO A 57 14.305 1.083 9.152 1.00 0.00 C ATOM 840 CD PRO A 57 12.805 1.176 9.220 1.00 0.00 C ATOM 0 HA PRO A 57 13.614 1.788 12.318 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.796 1.543 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.808 0.150 11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.720 1.901 8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.617 0.155 8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.395 1.699 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.342 0.190 9.245 1.00 0.00 H new ATOM 848 N THR A 58 15.087 3.805 12.334 1.00 0.00 N ATOM 849 CA THR A 58 15.646 5.142 12.484 1.00 0.00 C ATOM 850 C THR A 58 16.594 5.474 11.337 1.00 0.00 C ATOM 851 O THR A 58 16.816 6.643 11.021 1.00 0.00 O ATOM 852 CB THR A 58 16.401 5.289 13.818 1.00 0.00 C ATOM 853 OG1 THR A 58 16.430 6.665 14.216 1.00 0.00 O ATOM 854 CG2 THR A 58 17.822 4.761 13.696 1.00 0.00 C ATOM 0 H THR A 58 15.350 3.152 13.072 1.00 0.00 H new ATOM 0 HA THR A 58 14.807 5.838 12.471 1.00 0.00 H new ATOM 0 HB THR A 58 15.876 4.704 14.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.911 6.750 15.066 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.336 4.875 14.650 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.796 3.706 13.422 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.354 5.322 12.928 1.00 0.00 H new ATOM 862 N ASP A 59 17.149 4.439 10.717 1.00 0.00 N ATOM 863 CA ASP A 59 18.073 4.620 9.603 1.00 0.00 C ATOM 864 C ASP A 59 17.376 5.289 8.423 1.00 0.00 C ATOM 865 O ASP A 59 17.996 6.030 7.660 1.00 0.00 O ATOM 866 CB ASP A 59 18.656 3.274 9.172 1.00 0.00 C ATOM 867 CG ASP A 59 19.445 2.603 10.278 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.538 3.105 10.616 1.00 0.00 O ATOM 869 OD2 ASP A 59 18.970 1.577 10.808 1.00 0.00 O ATOM 0 H ASP A 59 16.975 3.465 10.967 1.00 0.00 H new ATOM 0 HA ASP A 59 18.884 5.267 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.847 2.615 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.303 3.422 8.307 1.00 0.00 H new ATOM 874 N TYR A 60 16.083 5.021 8.277 1.00 0.00 N ATOM 875 CA TYR A 60 15.301 5.594 7.188 1.00 0.00 C ATOM 876 C TYR A 60 14.665 6.915 7.609 1.00 0.00 C ATOM 877 O TYR A 60 14.053 7.009 8.672 1.00 0.00 O ATOM 878 CB TYR A 60 14.217 4.613 6.739 1.00 0.00 C ATOM 879 CG TYR A 60 13.582 4.975 5.416 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.333 5.001 4.247 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.232 5.292 5.334 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.758 5.332 3.035 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.648 5.623 4.127 1.00 0.00 C ATOM 884 CZ TYR A 60 12.415 5.642 2.980 1.00 0.00 C ATOM 885 OH TYR A 60 11.837 5.973 1.776 1.00 0.00 O ATOM 0 H TYR A 60 15.554 4.410 8.900 1.00 0.00 H new ATOM 0 HA TYR A 60 15.975 5.787 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.650 3.616 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.442 4.567 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.385 4.758 4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.629 5.279 6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.356 5.348 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.597 5.866 4.081 1.00 0.00 H new ATOM 0 HH TYR A 60 10.885 6.162 1.911 1.00 0.00 H new ATOM 934 N ILE A 64 7.792 9.441 1.297 1.00 0.00 N ATOM 935 CA ILE A 64 6.797 8.798 0.448 1.00 0.00 C ATOM 936 C ILE A 64 5.678 9.766 0.081 1.00 0.00 C ATOM 937 O ILE A 64 5.380 10.700 0.826 1.00 0.00 O ATOM 938 CB ILE A 64 6.186 7.562 1.135 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.290 6.679 1.722 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.338 6.773 0.149 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.768 5.556 2.589 1.00 0.00 C ATOM 0 HA ILE A 64 7.313 8.483 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 64 5.544 7.898 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.877 6.255 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.965 7.299 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.913 5.903 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.533 7.405 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.959 6.445 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.605 4.972 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.205 5.973 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.116 4.913 1.998 1.00 0.00 H new ATOM 953 N LYS A 65 5.059 9.537 -1.072 1.00 0.00 N ATOM 954 CA LYS A 65 3.970 10.387 -1.539 1.00 0.00 C ATOM 955 C LYS A 65 2.617 9.749 -1.241 1.00 0.00 C ATOM 956 O LYS A 65 1.675 9.878 -2.023 1.00 0.00 O ATOM 957 CB LYS A 65 4.105 10.645 -3.041 1.00 0.00 C ATOM 958 CG LYS A 65 5.443 11.245 -3.438 1.00 0.00 C ATOM 959 CD LYS A 65 6.463 10.166 -3.763 1.00 0.00 C ATOM 960 CE LYS A 65 7.842 10.759 -4.007 1.00 0.00 C ATOM 961 NZ LYS A 65 8.915 9.732 -3.897 1.00 0.00 N ATOM 0 H LYS A 65 5.293 8.769 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 65 4.029 11.337 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.964 9.706 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.307 11.316 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.310 11.894 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.818 11.869 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.513 9.452 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.142 9.614 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.873 11.211 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.027 11.556 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.839 10.176 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.903 9.318 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.753 8.984 -4.601 1.00 0.00 H new ATOM 975 N GLN A 66 2.528 9.063 -0.107 1.00 0.00 N ATOM 976 CA GLN A 66 1.289 8.406 0.293 1.00 0.00 C ATOM 977 C GLN A 66 0.597 7.771 -0.909 1.00 0.00 C ATOM 978 O GLN A 66 -0.623 7.611 -0.922 1.00 0.00 O ATOM 979 CB GLN A 66 0.350 9.409 0.966 1.00 0.00 C ATOM 980 CG GLN A 66 0.929 10.034 2.225 1.00 0.00 C ATOM 981 CD GLN A 66 0.388 11.426 2.487 1.00 0.00 C ATOM 982 OE1 GLN A 66 1.052 12.424 2.208 1.00 0.00 O ATOM 983 NE2 GLN A 66 -0.823 11.499 3.027 1.00 0.00 N ATOM 0 H GLN A 66 3.299 8.947 0.551 1.00 0.00 H new ATOM 0 HA GLN A 66 1.538 7.618 1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.108 10.200 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.585 8.908 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.706 9.395 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.014 10.081 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.338 10.645 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.238 12.409 3.227 1.00 0.00 H new ATOM 992 N GLY A 67 1.385 7.412 -1.918 1.00 0.00 N ATOM 993 CA GLY A 67 0.830 6.799 -3.110 1.00 0.00 C ATOM 994 C GLY A 67 -0.546 7.336 -3.452 1.00 0.00 C ATOM 995 O GLY A 67 -1.553 6.657 -3.251 1.00 0.00 O ATOM 0 H GLY A 67 2.397 7.535 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.503 6.971 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.770 5.720 -2.966 1.00 0.00 H new ATOM 999 N HIS A 68 -0.590 8.560 -3.969 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.853 9.189 -4.338 1.00 0.00 C ATOM 1001 C HIS A 68 -2.642 8.302 -5.297 1.00 0.00 C ATOM 1002 O HIS A 68 -3.833 8.516 -5.520 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.599 10.554 -4.979 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.804 11.483 -4.114 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.135 11.760 -2.804 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.313 12.200 -4.378 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.256 12.608 -2.301 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.634 12.890 -3.236 1.00 0.00 N ATOM 0 H HIS A 68 0.234 9.136 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.441 9.326 -3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.073 10.411 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.556 11.020 -5.214 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.852 12.225 -5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.263 13.004 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.430 13.518 -3.127 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.969 7.305 -5.862 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.605 6.385 -6.796 1.00 0.00 C ATOM 1019 C LYS A 69 -2.814 5.016 -6.155 1.00 0.00 C ATOM 1020 O LYS A 69 -2.523 4.823 -4.975 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.757 6.243 -8.062 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.018 7.328 -9.093 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.154 8.553 -8.844 1.00 0.00 C ATOM 1024 CE LYS A 69 -1.797 9.812 -9.405 1.00 0.00 C ATOM 1025 NZ LYS A 69 -1.138 11.046 -8.895 1.00 0.00 N ATOM 0 H LYS A 69 -0.982 7.114 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.579 6.794 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.702 6.261 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.952 5.270 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.819 6.938 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.070 7.612 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.991 8.673 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.175 8.408 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.741 9.794 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.854 9.829 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.436 11.861 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.412 11.201 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.105 10.939 -8.956 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.318 4.070 -6.941 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.563 2.720 -6.450 1.00 0.00 C ATOM 1041 C GLN A 70 -2.253 1.966 -6.251 1.00 0.00 C ATOM 1042 O GLN A 70 -2.183 1.014 -5.473 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.463 1.956 -7.423 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.790 0.543 -6.967 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.334 -0.320 -8.088 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.329 0.078 -9.253 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.809 -1.511 -7.742 1.00 0.00 N ATOM 0 H GLN A 70 -3.564 4.214 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.066 2.797 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.392 2.510 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.976 1.911 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.891 0.079 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.521 0.586 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.794 -1.802 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.189 -2.135 -8.454 1.00 0.00 H new ATOM 1056 N THR A 71 -1.214 2.397 -6.960 1.00 0.00 N ATOM 1057 CA THR A 71 0.094 1.762 -6.864 1.00 0.00 C ATOM 1058 C THR A 71 1.125 2.715 -6.269 1.00 0.00 C ATOM 1059 O THR A 71 1.160 3.899 -6.607 1.00 0.00 O ATOM 1060 CB THR A 71 0.589 1.283 -8.241 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.100 2.153 -9.268 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.131 -0.141 -8.516 1.00 0.00 C ATOM 0 H THR A 71 -1.254 3.184 -7.608 1.00 0.00 H new ATOM 0 HA THR A 71 -0.021 0.899 -6.208 1.00 0.00 H new ATOM 0 HB THR A 71 1.679 1.303 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.421 1.842 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.493 -0.457 -9.494 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.529 -0.806 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.958 -0.182 -8.501 1.00 0.00 H new ATOM 1070 N LEU A 72 1.964 2.192 -5.381 1.00 0.00 N ATOM 1071 CA LEU A 72 2.998 2.996 -4.739 1.00 0.00 C ATOM 1072 C LEU A 72 4.387 2.454 -5.059 1.00 0.00 C ATOM 1073 O LEU A 72 4.668 1.276 -4.843 1.00 0.00 O ATOM 1074 CB LEU A 72 2.784 3.023 -3.225 1.00 0.00 C ATOM 1075 CG LEU A 72 3.863 3.732 -2.407 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.891 5.217 -2.734 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.633 3.516 -0.918 1.00 0.00 C ATOM 0 H LEU A 72 1.948 1.215 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 72 2.927 4.012 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.827 3.505 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.705 1.995 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 72 4.830 3.304 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.665 5.705 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.105 5.352 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.923 5.659 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.411 4.028 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.658 3.916 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.665 2.449 -0.696 1.00 0.00 H new ATOM 1089 N ASN A 73 5.252 3.322 -5.572 1.00 0.00 N ATOM 1090 CA ASN A 73 6.613 2.931 -5.920 1.00 0.00 C ATOM 1091 C ASN A 73 7.632 3.712 -5.095 1.00 0.00 C ATOM 1092 O ASN A 73 7.628 4.944 -5.089 1.00 0.00 O ATOM 1093 CB ASN A 73 6.866 3.158 -7.411 1.00 0.00 C ATOM 1094 CG ASN A 73 6.551 1.930 -8.244 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.281 1.543 -8.270 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.439 1.338 -8.858 1.00 0.00 N flip ATOM 0 H ASN A 73 5.035 4.301 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 73 6.727 1.870 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.258 3.994 -7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.909 3.438 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.402 1.671 -8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.212 0.515 -9.415 1.00 0.00 H new ATOM 1103 N LEU A 74 8.503 2.988 -4.401 1.00 0.00 N ATOM 1104 CA LEU A 74 9.528 3.613 -3.572 1.00 0.00 C ATOM 1105 C LEU A 74 10.901 3.500 -4.228 1.00 0.00 C ATOM 1106 O LEU A 74 11.105 2.685 -5.128 1.00 0.00 O ATOM 1107 CB LEU A 74 9.557 2.965 -2.187 1.00 0.00 C ATOM 1108 CG LEU A 74 8.597 3.552 -1.151 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.192 3.007 -1.357 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.086 3.254 0.259 1.00 0.00 C ATOM 0 H LEU A 74 8.520 1.968 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 74 9.281 4.669 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.334 1.904 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.572 3.038 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 74 8.568 4.634 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.523 3.435 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.841 3.272 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.204 1.922 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.391 3.679 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.145 2.175 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.073 3.694 0.402 1.00 0.00 H new ATOM 1122 N SER A 75 11.840 4.321 -3.768 1.00 0.00 N ATOM 1123 CA SER A 75 13.193 4.314 -4.311 1.00 0.00 C ATOM 1124 C SER A 75 14.213 4.669 -3.233 1.00 0.00 C ATOM 1125 O SER A 75 13.852 4.936 -2.087 1.00 0.00 O ATOM 1126 CB SER A 75 13.303 5.299 -5.476 1.00 0.00 C ATOM 1127 OG SER A 75 13.134 6.634 -5.034 1.00 0.00 O ATOM 0 H SER A 75 11.689 4.999 -3.021 1.00 0.00 H new ATOM 0 HA SER A 75 13.407 3.308 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.276 5.192 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.549 5.064 -6.228 1.00 0.00 H new ATOM 0 HG SER A 75 13.211 7.244 -5.798 1.00 0.00 H new ATOM 1133 N GLN A 76 15.487 4.669 -3.609 1.00 0.00 N ATOM 1134 CA GLN A 76 16.560 4.990 -2.675 1.00 0.00 C ATOM 1135 C GLN A 76 16.320 4.327 -1.322 1.00 0.00 C ATOM 1136 O GLN A 76 16.659 4.884 -0.277 1.00 0.00 O ATOM 1137 CB GLN A 76 16.675 6.506 -2.500 1.00 0.00 C ATOM 1138 CG GLN A 76 16.980 7.246 -3.792 1.00 0.00 C ATOM 1139 CD GLN A 76 16.986 8.751 -3.615 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.972 9.330 -3.158 1.00 0.00 O ATOM 1141 NE2 GLN A 76 15.882 9.394 -3.977 1.00 0.00 N ATOM 0 H GLN A 76 15.802 4.450 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 76 17.494 4.607 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.742 6.887 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.459 6.721 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.951 6.925 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.239 6.975 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.088 8.874 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.828 10.408 -3.881 1.00 0.00 H new ATOM 1150 N LEU A 77 15.734 3.136 -1.349 1.00 0.00 N ATOM 1151 CA LEU A 77 15.448 2.396 -0.125 1.00 0.00 C ATOM 1152 C LEU A 77 16.694 1.674 0.379 1.00 0.00 C ATOM 1153 O LEU A 77 17.467 1.127 -0.407 1.00 0.00 O ATOM 1154 CB LEU A 77 14.323 1.388 -0.365 1.00 0.00 C ATOM 1155 CG LEU A 77 12.918 1.973 -0.517 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.991 0.969 -1.183 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.367 2.394 0.838 1.00 0.00 C ATOM 0 H LEU A 77 15.447 2.661 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 77 15.131 3.110 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.557 0.820 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.313 0.681 0.465 1.00 0.00 H new ATOM 0 HG LEU A 77 12.979 2.856 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.996 1.403 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.377 0.716 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.934 0.067 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.367 2.808 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.320 1.527 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.019 3.149 1.277 1.00 0.00 H new ATOM 1169 N SER A 78 16.880 1.675 1.695 1.00 0.00 N ATOM 1170 CA SER A 78 18.033 1.021 2.304 1.00 0.00 C ATOM 1171 C SER A 78 17.609 -0.232 3.064 1.00 0.00 C ATOM 1172 O SER A 78 16.431 -0.416 3.371 1.00 0.00 O ATOM 1173 CB SER A 78 18.752 1.986 3.249 1.00 0.00 C ATOM 1174 OG SER A 78 17.871 2.478 4.243 1.00 0.00 O ATOM 0 H SER A 78 16.248 2.121 2.360 1.00 0.00 H new ATOM 0 HA SER A 78 18.716 0.727 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.592 1.478 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.164 2.819 2.679 1.00 0.00 H new ATOM 0 HG SER A 78 17.018 1.998 4.191 1.00 0.00 H new ATOM 1180 N VAL A 79 18.578 -1.091 3.363 1.00 0.00 N ATOM 1181 CA VAL A 79 18.307 -2.326 4.088 1.00 0.00 C ATOM 1182 C VAL A 79 17.505 -2.055 5.356 1.00 0.00 C ATOM 1183 O VAL A 79 17.947 -1.319 6.237 1.00 0.00 O ATOM 1184 CB VAL A 79 19.611 -3.054 4.464 1.00 0.00 C ATOM 1185 CG1 VAL A 79 20.669 -2.058 4.913 1.00 0.00 C ATOM 1186 CG2 VAL A 79 19.349 -4.090 5.547 1.00 0.00 C ATOM 0 H VAL A 79 19.558 -0.954 3.114 1.00 0.00 H new ATOM 0 HA VAL A 79 17.724 -2.962 3.422 1.00 0.00 H new ATOM 0 HB VAL A 79 19.985 -3.571 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.583 -2.591 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.876 -1.358 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.307 -1.510 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.281 -4.595 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.951 -3.597 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.627 -4.822 5.184 1.00 0.00 H new ATOM 1196 N GLY A 80 16.322 -2.657 5.442 1.00 0.00 N ATOM 1197 CA GLY A 80 15.477 -2.468 6.607 1.00 0.00 C ATOM 1198 C GLY A 80 14.036 -2.860 6.347 1.00 0.00 C ATOM 1199 O GLY A 80 13.657 -3.141 5.210 1.00 0.00 O ATOM 0 H GLY A 80 15.934 -3.272 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.868 -3.059 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.516 -1.423 6.915 1.00 0.00 H new ATOM 1203 N LEU A 81 13.231 -2.882 7.404 1.00 0.00 N ATOM 1204 CA LEU A 81 11.823 -3.245 7.286 1.00 0.00 C ATOM 1205 C LEU A 81 10.948 -2.001 7.177 1.00 0.00 C ATOM 1206 O LEU A 81 11.155 -1.019 7.890 1.00 0.00 O ATOM 1207 CB LEU A 81 11.390 -4.084 8.489 1.00 0.00 C ATOM 1208 CG LEU A 81 9.927 -4.530 8.504 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.662 -5.531 7.391 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.565 -5.126 9.857 1.00 0.00 C ATOM 0 H LEU A 81 13.529 -2.653 8.352 1.00 0.00 H new ATOM 0 HA LEU A 81 11.700 -3.834 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.020 -4.972 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.584 -3.510 9.395 1.00 0.00 H new ATOM 0 HG LEU A 81 9.299 -3.655 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.616 -5.837 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.881 -5.070 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.299 -6.405 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.521 -5.438 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.200 -5.989 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.715 -4.378 10.636 1.00 0.00 H new ATOM 1222 N TYR A 82 9.967 -2.050 6.282 1.00 0.00 N ATOM 1223 CA TYR A 82 9.060 -0.927 6.079 1.00 0.00 C ATOM 1224 C TYR A 82 7.618 -1.408 5.950 1.00 0.00 C ATOM 1225 O TYR A 82 7.328 -2.347 5.207 1.00 0.00 O ATOM 1226 CB TYR A 82 9.460 -0.139 4.831 1.00 0.00 C ATOM 1227 CG TYR A 82 10.914 0.277 4.818 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.333 1.429 5.472 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.868 -0.482 4.152 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.660 1.813 5.462 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.197 -0.106 4.138 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.588 1.043 4.794 1.00 0.00 C ATOM 1233 OH TYR A 82 14.911 1.421 4.783 1.00 0.00 O ATOM 0 H TYR A 82 9.780 -2.856 5.686 1.00 0.00 H new ATOM 0 HA TYR A 82 9.130 -0.275 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.256 -0.745 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.835 0.751 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.609 2.035 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.565 -1.381 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.969 2.712 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.926 -0.708 3.616 1.00 0.00 H new ATOM 0 HH TYR A 82 15.422 0.806 4.217 1.00 0.00 H new ATOM 1243 N VAL A 83 6.716 -0.757 6.678 1.00 0.00 N ATOM 1244 CA VAL A 83 5.303 -1.116 6.645 1.00 0.00 C ATOM 1245 C VAL A 83 4.458 0.030 6.100 1.00 0.00 C ATOM 1246 O VAL A 83 4.375 1.097 6.707 1.00 0.00 O ATOM 1247 CB VAL A 83 4.788 -1.499 8.045 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.445 -2.205 7.945 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.805 -2.370 8.767 1.00 0.00 C ATOM 0 H VAL A 83 6.939 0.022 7.298 1.00 0.00 H new ATOM 0 HA VAL A 83 5.211 -1.978 5.984 1.00 0.00 H new ATOM 0 HB VAL A 83 4.649 -0.586 8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.097 -2.468 8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.720 -1.543 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.554 -3.111 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.425 -2.631 9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.978 -3.280 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.742 -1.824 8.872 1.00 0.00 H new ATOM 1259 N PHE A 84 3.831 -0.200 4.951 1.00 0.00 N ATOM 1260 CA PHE A 84 2.991 0.814 4.322 1.00 0.00 C ATOM 1261 C PHE A 84 1.514 0.459 4.463 1.00 0.00 C ATOM 1262 O PHE A 84 1.052 -0.549 3.928 1.00 0.00 O ATOM 1263 CB PHE A 84 3.354 0.962 2.843 1.00 0.00 C ATOM 1264 CG PHE A 84 4.834 0.966 2.586 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.598 2.083 2.882 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.460 -0.147 2.050 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.960 2.090 2.646 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.822 -0.146 1.811 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.573 0.974 2.111 1.00 0.00 C ATOM 0 H PHE A 84 3.888 -1.079 4.436 1.00 0.00 H new ATOM 0 HA PHE A 84 3.168 1.763 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.898 0.146 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.925 1.889 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.124 2.958 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.878 -1.026 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.544 2.968 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.298 -1.020 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.637 0.977 1.928 1.00 0.00 H new ATOM 1279 N LYS A 85 0.777 1.296 5.186 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.648 1.074 5.398 1.00 0.00 C ATOM 1281 C LYS A 85 -1.480 1.950 4.467 1.00 0.00 C ATOM 1282 O LYS A 85 -1.508 3.172 4.609 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.020 1.362 6.854 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.513 1.298 7.125 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.840 1.717 8.549 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.030 3.222 8.658 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.446 3.620 8.428 1.00 0.00 N ATOM 0 H LYS A 85 1.144 2.135 5.635 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.864 0.029 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.511 0.645 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.652 2.352 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.039 1.946 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.872 0.283 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.747 1.210 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.037 1.401 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.714 3.557 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.389 3.723 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.677 4.441 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.578 3.870 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.073 2.827 8.672 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.157 1.317 3.514 1.00 0.00 N ATOM 1302 CA VAL A 86 -2.992 2.039 2.561 1.00 0.00 C ATOM 1303 C VAL A 86 -4.434 2.123 3.047 1.00 0.00 C ATOM 1304 O VAL A 86 -5.144 1.118 3.098 1.00 0.00 O ATOM 1305 CB VAL A 86 -2.967 1.370 1.174 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -2.994 -0.144 1.311 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.133 1.858 0.327 1.00 0.00 C ATOM 0 H VAL A 86 -2.144 0.306 3.381 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.581 3.045 2.478 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.041 1.649 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.976 -0.599 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.123 -0.474 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.902 -0.446 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.100 1.375 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.072 1.610 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.064 2.938 0.200 1.00 0.00 H new ATOM 1317 N THR A 87 -4.863 3.330 3.404 1.00 0.00 N ATOM 1318 CA THR A 87 -6.221 3.546 3.887 1.00 0.00 C ATOM 1319 C THR A 87 -7.154 3.938 2.747 1.00 0.00 C ATOM 1320 O THR A 87 -7.083 5.052 2.228 1.00 0.00 O ATOM 1321 CB THR A 87 -6.265 4.641 4.970 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.042 4.641 5.716 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.440 4.424 5.912 1.00 0.00 C ATOM 0 H THR A 87 -4.289 4.173 3.368 1.00 0.00 H new ATOM 0 HA THR A 87 -6.556 2.603 4.320 1.00 0.00 H new ATOM 0 HB THR A 87 -6.389 5.605 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.077 5.341 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.450 5.209 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.371 4.453 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.342 3.453 6.398 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.030 3.015 2.362 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.979 3.265 1.284 1.00 0.00 C ATOM 1333 C VAL A 88 -10.412 3.284 1.806 1.00 0.00 C ATOM 1334 O VAL A 88 -10.959 2.249 2.184 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.863 2.201 0.176 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -9.908 2.438 -0.904 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.462 2.201 -0.418 1.00 0.00 C ATOM 0 H VAL A 88 -8.102 2.088 2.781 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.734 4.242 0.867 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.046 1.221 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.810 1.677 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.904 2.383 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.759 3.424 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.398 1.443 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.248 3.181 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.735 1.979 0.364 1.00 0.00 H new ATOM 1347 N SER A 89 -11.013 4.469 1.824 1.00 0.00 N ATOM 1348 CA SER A 89 -12.382 4.625 2.303 1.00 0.00 C ATOM 1349 C SER A 89 -13.197 5.491 1.347 1.00 0.00 C ATOM 1350 O SER A 89 -12.645 6.298 0.600 1.00 0.00 O ATOM 1351 CB SER A 89 -12.387 5.245 3.702 1.00 0.00 C ATOM 1352 OG SER A 89 -11.876 6.566 3.676 1.00 0.00 O ATOM 0 H SER A 89 -10.574 5.335 1.513 1.00 0.00 H new ATOM 0 HA SER A 89 -12.840 3.637 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.403 5.253 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.788 4.633 4.376 1.00 0.00 H new ATOM 0 HG SER A 89 -12.037 6.996 4.542 1.00 0.00 H new ATOM 1358 N SER A 90 -14.514 5.316 1.378 1.00 0.00 N ATOM 1359 CA SER A 90 -15.407 6.078 0.512 1.00 0.00 C ATOM 1360 C SER A 90 -16.471 6.802 1.332 1.00 0.00 C ATOM 1361 O SER A 90 -16.448 6.772 2.561 1.00 0.00 O ATOM 1362 CB SER A 90 -16.074 5.154 -0.508 1.00 0.00 C ATOM 1363 OG SER A 90 -16.571 5.888 -1.613 1.00 0.00 O ATOM 0 H SER A 90 -14.987 4.654 1.993 1.00 0.00 H new ATOM 0 HA SER A 90 -14.812 6.822 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.356 4.411 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.890 4.611 -0.032 1.00 0.00 H new ATOM 0 HG SER A 90 -16.991 5.274 -2.251 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.401 7.452 0.639 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.473 8.185 1.302 1.00 0.00 C ATOM 1371 C GLU A 91 -19.153 7.317 2.358 1.00 0.00 C ATOM 1372 O GLU A 91 -19.223 7.687 3.529 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.504 8.663 0.278 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.601 9.527 0.876 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.150 10.954 1.123 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -19.441 11.509 0.258 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.506 11.515 2.180 1.00 0.00 O ATOM 0 H GLU A 91 -17.434 7.486 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.034 9.052 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.994 9.227 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.957 7.795 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.460 9.532 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.933 9.087 1.816 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.653 6.162 1.932 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.329 5.241 2.840 1.00 0.00 C ATOM 1386 C ASN A 92 -19.557 3.931 2.961 1.00 0.00 C ATOM 1387 O ASN A 92 -20.148 2.854 3.018 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.752 4.964 2.352 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.628 4.363 3.434 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -23.625 5.120 3.877 1.00 0.00 O flip ATOM 1391 ND2 ASN A 92 -22.411 3.231 3.866 1.00 0.00 N flip ATOM 0 H ASN A 92 -19.603 5.841 0.965 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.374 5.708 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.200 5.893 2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.715 4.286 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.633 2.684 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.009 2.839 4.594 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.232 4.033 2.999 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.379 2.857 3.116 1.00 0.00 C ATOM 1400 C ALA A 93 -16.017 3.223 3.696 1.00 0.00 C ATOM 1401 O ALA A 93 -15.608 4.383 3.662 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.214 2.188 1.759 1.00 0.00 C ATOM 0 H ALA A 93 -17.727 4.918 2.950 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.859 2.156 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.575 1.311 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.190 1.883 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.759 2.890 1.060 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.319 2.225 4.229 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.003 2.442 4.819 1.00 0.00 C ATOM 1410 C PHE A 94 -13.202 1.144 4.855 1.00 0.00 C ATOM 1411 O PHE A 94 -13.737 0.080 5.165 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.143 3.008 6.234 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.847 3.501 6.813 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.931 2.611 7.351 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.545 4.853 6.818 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.738 3.061 7.885 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.353 5.309 7.351 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.449 4.412 7.884 1.00 0.00 C ATOM 0 H PHE A 94 -15.643 1.258 4.264 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.468 3.161 4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.861 3.828 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.553 2.237 6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.152 1.554 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.248 5.559 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.033 2.357 8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.130 6.366 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.517 4.766 8.300 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.915 1.241 4.536 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.061 0.067 4.537 1.00 0.00 C ATOM 1430 C GLY A 95 -9.588 0.423 4.507 1.00 0.00 C ATOM 1431 O GLY A 95 -9.218 1.529 4.113 1.00 0.00 O ATOM 0 H GLY A 95 -11.449 2.110 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.270 -0.530 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.300 -0.553 3.673 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.745 -0.516 4.925 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.304 -0.293 4.947 1.00 0.00 C ATOM 1437 C GLU A 96 -6.549 -1.620 4.954 1.00 0.00 C ATOM 1438 O GLU A 96 -7.068 -2.640 5.406 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.912 0.536 6.172 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.681 0.166 7.429 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.010 -0.940 8.220 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.010 -2.094 7.744 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.484 -0.649 9.315 1.00 0.00 O ATOM 0 H GLU A 96 -9.035 -1.437 5.253 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.033 0.255 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.845 0.411 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.076 1.591 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.783 1.048 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.688 -0.148 7.155 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.319 -1.597 4.448 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.513 -2.802 4.404 1.00 0.00 C ATOM 1452 C GLY A 97 -3.146 -2.608 5.031 1.00 0.00 C ATOM 1453 O GLY A 97 -2.859 -1.554 5.598 1.00 0.00 O ATOM 0 H GLY A 97 -4.867 -0.765 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.037 -3.605 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.393 -3.117 3.368 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.300 -3.628 4.930 1.00 0.00 N ATOM 1458 CA PHE A 98 -0.957 -3.566 5.494 1.00 0.00 C ATOM 1459 C PHE A 98 0.002 -4.460 4.713 1.00 0.00 C ATOM 1460 O PHE A 98 -0.270 -5.641 4.496 1.00 0.00 O ATOM 1461 CB PHE A 98 -0.979 -3.985 6.965 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.620 -2.970 7.868 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.995 -2.803 7.878 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.847 -2.184 8.707 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.587 -1.869 8.707 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.433 -1.248 9.539 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.805 -1.091 9.540 1.00 0.00 C ATOM 0 H PHE A 98 -2.521 -4.507 4.463 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.607 -2.536 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.513 -4.930 7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.043 -4.163 7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.611 -3.409 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.226 -2.304 8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.660 -1.747 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.819 -0.641 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.266 -0.362 10.190 1.00 0.00 H new ATOM 1477 N VAL A 99 1.126 -3.888 4.294 1.00 0.00 N ATOM 1478 CA VAL A 99 2.127 -4.631 3.538 1.00 0.00 C ATOM 1479 C VAL A 99 3.531 -4.349 4.059 1.00 0.00 C ATOM 1480 O VAL A 99 3.961 -3.198 4.122 1.00 0.00 O ATOM 1481 CB VAL A 99 2.069 -4.285 2.038 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.797 -2.978 1.763 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.654 -5.416 1.207 1.00 0.00 C ATOM 0 H VAL A 99 1.366 -2.912 4.465 1.00 0.00 H new ATOM 0 HA VAL A 99 1.900 -5.689 3.668 1.00 0.00 H new ATOM 0 HB VAL A 99 1.025 -4.158 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.746 -2.750 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.328 -2.174 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.840 -3.072 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.605 -5.154 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.693 -5.577 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.084 -6.328 1.382 1.00 0.00 H new ATOM 1493 N ASN A 100 4.242 -5.408 4.433 1.00 0.00 N ATOM 1494 CA ASN A 100 5.599 -5.275 4.949 1.00 0.00 C ATOM 1495 C ASN A 100 6.627 -5.557 3.858 1.00 0.00 C ATOM 1496 O ASN A 100 6.542 -6.565 3.156 1.00 0.00 O ATOM 1497 CB ASN A 100 5.815 -6.227 6.127 1.00 0.00 C ATOM 1498 CG ASN A 100 4.752 -6.072 7.198 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.678 -5.523 6.948 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.046 -6.558 8.398 1.00 0.00 N ATOM 0 H ASN A 100 3.900 -6.368 4.388 1.00 0.00 H new ATOM 0 HA ASN A 100 5.731 -4.248 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.815 -7.255 5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.797 -6.043 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.369 -6.484 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.948 -7.005 8.560 1.00 0.00 H new ATOM 1507 N VAL A 101 7.598 -4.660 3.721 1.00 0.00 N ATOM 1508 CA VAL A 101 8.644 -4.813 2.716 1.00 0.00 C ATOM 1509 C VAL A 101 10.028 -4.789 3.356 1.00 0.00 C ATOM 1510 O VAL A 101 10.407 -3.814 4.006 1.00 0.00 O ATOM 1511 CB VAL A 101 8.564 -3.705 1.650 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.677 -3.868 0.626 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.201 -3.713 0.974 1.00 0.00 C ATOM 0 H VAL A 101 7.682 -3.820 4.293 1.00 0.00 H new ATOM 0 HA VAL A 101 8.485 -5.779 2.237 1.00 0.00 H new ATOM 0 HB VAL A 101 8.694 -2.741 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.604 -3.076 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.643 -3.808 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.582 -4.837 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.162 -2.923 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.039 -4.678 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.424 -3.543 1.719 1.00 0.00 H new ATOM 1523 N THR A 102 10.780 -5.869 3.167 1.00 0.00 N ATOM 1524 CA THR A 102 12.122 -5.973 3.725 1.00 0.00 C ATOM 1525 C THR A 102 13.183 -5.778 2.648 1.00 0.00 C ATOM 1526 O THR A 102 13.046 -6.277 1.531 1.00 0.00 O ATOM 1527 CB THR A 102 12.343 -7.337 4.407 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.413 -7.503 5.483 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.765 -7.454 4.935 1.00 0.00 C ATOM 0 H THR A 102 10.482 -6.684 2.631 1.00 0.00 H new ATOM 0 HA THR A 102 12.216 -5.183 4.470 1.00 0.00 H new ATOM 0 HB THR A 102 12.183 -8.120 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.559 -8.373 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.897 -8.425 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.469 -7.357 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.949 -6.664 5.663 1.00 0.00 H new ATOM 1537 N VAL A 103 14.241 -5.050 2.990 1.00 0.00 N ATOM 1538 CA VAL A 103 15.326 -4.791 2.052 1.00 0.00 C ATOM 1539 C VAL A 103 16.615 -5.469 2.502 1.00 0.00 C ATOM 1540 O VAL A 103 17.207 -5.094 3.514 1.00 0.00 O ATOM 1541 CB VAL A 103 15.582 -3.280 1.893 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.729 -3.032 0.926 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.319 -2.572 1.428 1.00 0.00 C ATOM 0 H VAL A 103 14.370 -4.629 3.910 1.00 0.00 H new ATOM 0 HA VAL A 103 15.019 -5.203 1.091 1.00 0.00 H new ATOM 0 HB VAL A 103 15.863 -2.872 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.895 -1.959 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.634 -3.506 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.481 -3.453 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.518 -1.506 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.005 -2.981 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.527 -2.721 2.162 1.00 0.00 H new ATOM 1553 N LYS A 104 17.047 -6.470 1.742 1.00 0.00 N ATOM 1554 CA LYS A 104 18.267 -7.202 2.061 1.00 0.00 C ATOM 1555 C LYS A 104 19.502 -6.405 1.650 1.00 0.00 C ATOM 1556 O LYS A 104 19.525 -5.742 0.613 1.00 0.00 O ATOM 1557 CB LYS A 104 18.269 -8.562 1.359 1.00 0.00 C ATOM 1558 CG LYS A 104 17.063 -9.422 1.697 1.00 0.00 C ATOM 1559 CD LYS A 104 17.161 -9.993 3.101 1.00 0.00 C ATOM 1560 CE LYS A 104 16.067 -11.017 3.364 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.495 -12.394 2.992 1.00 0.00 N ATOM 0 H LYS A 104 16.570 -6.793 0.900 1.00 0.00 H new ATOM 0 HA LYS A 104 18.297 -7.357 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.302 -8.405 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.177 -9.101 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.154 -8.827 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.982 -10.236 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.137 -10.458 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.088 -9.185 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.794 -10.994 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.175 -10.749 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.722 -13.062 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.731 -12.423 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.331 -12.660 3.550 1.00 0.00 H new ATOM 1575 N PRO A 105 20.553 -6.471 2.481 1.00 0.00 N ATOM 1576 CA PRO A 105 21.811 -5.764 2.224 1.00 0.00 C ATOM 1577 C PRO A 105 22.579 -6.355 1.047 1.00 0.00 C ATOM 1578 O PRO A 105 22.486 -7.551 0.772 1.00 0.00 O ATOM 1579 CB PRO A 105 22.596 -5.952 3.524 1.00 0.00 C ATOM 1580 CG PRO A 105 22.047 -7.203 4.120 1.00 0.00 C ATOM 1581 CD PRO A 105 20.595 -7.242 3.735 1.00 0.00 C ATOM 0 HA PRO A 105 21.644 -4.720 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.665 -6.041 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.462 -5.102 4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.574 -8.079 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.164 -7.203 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.245 -8.264 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 105 19.964 -6.795 4.503 1.00 0.00 H new ATOM 1589 N ALA A 106 23.337 -5.510 0.356 1.00 0.00 N ATOM 1590 CA ALA A 106 24.123 -5.951 -0.790 1.00 0.00 C ATOM 1591 C ALA A 106 25.155 -6.995 -0.378 1.00 0.00 C ATOM 1592 O ALA A 106 26.142 -6.677 0.286 1.00 0.00 O ATOM 1593 CB ALA A 106 24.805 -4.762 -1.451 1.00 0.00 C ATOM 0 H ALA A 106 23.423 -4.516 0.570 1.00 0.00 H new ATOM 0 HA ALA A 106 23.446 -6.412 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.388 -5.106 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.051 -4.052 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.465 -4.276 -0.733 1.00 0.00 H new