USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 663 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 20 THR OG1 : rot 33:sc= 1.36 USER MOD Set 1.2: A 23 THR OG1 : rot 2:sc= 0.497 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 38:sc= 0.742 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 43 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 49 THR OG1 : rot 27:sc= 0.0233 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HE2:sc= -1.84 F(o=-2.5!,f=-1.8) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.07! C(o=-7.9!,f=-2.1!) USER MOD Single : A 69 SER OG : rot -52:sc= 0.834 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.14 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -74:sc= 1.12 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 GLN : amide:sc= -1.68! C(o=-1.7!,f=-2.5!) USER MOD Single : A 79 MET CE :methyl 152:sc= -0.0597 (180deg=-0.189) USER MOD Single : A 82 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 83 SER OG : rot -8:sc= 0.903 USER MOD Single : A 89 SER OG : rot 20:sc= 0.239 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 44:sc= 0.0274 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -161:sc= 1.84 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.105 -5.272 -2.634 1.00 0.00 N ATOM 86 CA GLU A 9 14.849 -6.012 -2.659 1.00 0.00 C ATOM 87 C GLU A 9 13.659 -5.070 -2.502 1.00 0.00 C ATOM 88 O GLU A 9 13.818 -3.910 -2.122 1.00 0.00 O ATOM 89 CB GLU A 9 14.830 -7.064 -1.548 1.00 0.00 C ATOM 90 CG GLU A 9 15.508 -8.368 -1.933 1.00 0.00 C ATOM 91 CD GLU A 9 15.188 -9.498 -0.973 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.154 -10.170 -1.173 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.970 -9.711 -0.023 1.00 0.00 O ATOM 0 HA GLU A 9 14.770 -6.511 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.321 -6.656 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.796 -7.270 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.197 -8.652 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.587 -8.217 -1.964 1.00 0.00 H new ATOM 100 N ALA A 10 12.467 -5.577 -2.799 1.00 0.00 N ATOM 101 CA ALA A 10 11.250 -4.782 -2.691 1.00 0.00 C ATOM 102 C ALA A 10 10.563 -5.011 -1.349 1.00 0.00 C ATOM 103 O ALA A 10 10.900 -5.928 -0.600 1.00 0.00 O ATOM 104 CB ALA A 10 10.302 -5.109 -3.835 1.00 0.00 C ATOM 0 H ALA A 10 12.318 -6.535 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 10 11.526 -3.729 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.398 -4.508 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.788 -4.887 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.040 -6.166 -3.799 1.00 0.00 H new ATOM 110 N PRO A 11 9.575 -4.159 -1.036 1.00 0.00 N ATOM 111 CA PRO A 11 8.820 -4.249 0.217 1.00 0.00 C ATOM 112 C PRO A 11 7.910 -5.472 0.259 1.00 0.00 C ATOM 113 O PRO A 11 7.259 -5.807 -0.731 1.00 0.00 O ATOM 114 CB PRO A 11 7.989 -2.963 0.223 1.00 0.00 C ATOM 115 CG PRO A 11 7.849 -2.596 -1.214 1.00 0.00 C ATOM 116 CD PRO A 11 9.120 -3.042 -1.881 1.00 0.00 C ATOM 0 HA PRO A 11 9.476 -4.353 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.016 -3.123 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.486 -2.173 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.982 -3.085 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.703 -1.522 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.944 -3.361 -2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.857 -2.240 -1.918 1.00 0.00 H new ATOM 124 N ARG A 12 7.869 -6.134 1.410 1.00 0.00 N ATOM 125 CA ARG A 12 7.039 -7.321 1.580 1.00 0.00 C ATOM 126 C ARG A 12 6.235 -7.241 2.874 1.00 0.00 C ATOM 127 O ARG A 12 6.331 -6.264 3.617 1.00 0.00 O ATOM 128 CB ARG A 12 7.907 -8.580 1.583 1.00 0.00 C ATOM 129 CG ARG A 12 8.782 -8.714 2.819 1.00 0.00 C ATOM 130 CD ARG A 12 9.071 -10.171 3.142 1.00 0.00 C ATOM 131 NE ARG A 12 9.991 -10.773 2.181 1.00 0.00 N ATOM 132 CZ ARG A 12 10.293 -12.067 2.164 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.750 -12.890 3.051 1.00 0.00 N ATOM 134 NH2 ARG A 12 11.140 -12.540 1.258 1.00 0.00 N ATOM 0 H ARG A 12 8.401 -5.869 2.239 1.00 0.00 H new ATOM 0 HA ARG A 12 6.343 -7.370 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.262 -9.456 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.542 -8.575 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.720 -8.182 2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.288 -8.243 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.495 -10.243 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.137 -10.733 3.150 1.00 0.00 H new ATOM 0 HE ARG A 12 10.426 -10.167 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.099 -12.530 3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.984 -13.883 3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.560 -11.910 0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.371 -13.533 1.246 1.00 0.00 H new ATOM 148 N ASP A 13 5.442 -8.274 3.137 1.00 0.00 N ATOM 149 CA ASP A 13 4.622 -8.322 4.341 1.00 0.00 C ATOM 150 C ASP A 13 3.671 -7.130 4.398 1.00 0.00 C ATOM 151 O ASP A 13 3.495 -6.512 5.449 1.00 0.00 O ATOM 152 CB ASP A 13 5.508 -8.343 5.587 1.00 0.00 C ATOM 153 CG ASP A 13 5.921 -9.747 5.981 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.025 -10.589 6.205 1.00 0.00 O ATOM 155 OD2 ASP A 13 7.140 -10.006 6.063 1.00 0.00 O ATOM 0 H ASP A 13 5.350 -9.090 2.532 1.00 0.00 H new ATOM 0 HA ASP A 13 4.029 -9.236 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.400 -7.743 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.975 -7.878 6.416 1.00 0.00 H new ATOM 160 N LEU A 14 3.060 -6.812 3.262 1.00 0.00 N ATOM 161 CA LEU A 14 2.127 -5.694 3.182 1.00 0.00 C ATOM 162 C LEU A 14 0.740 -6.106 3.664 1.00 0.00 C ATOM 163 O LEU A 14 0.076 -6.932 3.039 1.00 0.00 O ATOM 164 CB LEU A 14 2.047 -5.173 1.746 1.00 0.00 C ATOM 165 CG LEU A 14 0.996 -4.094 1.481 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.409 -2.778 2.123 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.781 -3.915 -0.015 1.00 0.00 C ATOM 0 H LEU A 14 3.194 -7.313 2.384 1.00 0.00 H new ATOM 0 HA LEU A 14 2.495 -4.899 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.024 -4.776 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.847 -6.017 1.085 1.00 0.00 H new ATOM 0 HG LEU A 14 0.054 -4.413 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.649 -2.022 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.512 -2.915 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.362 -2.453 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.030 -3.143 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.719 -3.618 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.440 -4.855 -0.449 1.00 0.00 H new ATOM 179 N GLU A 15 0.308 -5.522 4.777 1.00 0.00 N ATOM 180 CA GLU A 15 -1.001 -5.829 5.341 1.00 0.00 C ATOM 181 C GLU A 15 -1.694 -4.559 5.829 1.00 0.00 C ATOM 182 O GLU A 15 -1.047 -3.639 6.328 1.00 0.00 O ATOM 183 CB GLU A 15 -0.864 -6.824 6.495 1.00 0.00 C ATOM 184 CG GLU A 15 -0.218 -6.231 7.736 1.00 0.00 C ATOM 185 CD GLU A 15 1.296 -6.308 7.700 1.00 0.00 C ATOM 186 OE1 GLU A 15 1.915 -5.494 6.983 1.00 0.00 O ATOM 187 OE2 GLU A 15 1.861 -7.183 8.389 1.00 0.00 O ATOM 0 H GLU A 15 0.845 -4.834 5.306 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.610 -6.277 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.852 -7.203 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.273 -7.677 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.523 -5.189 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.584 -6.757 8.618 1.00 0.00 H new ATOM 194 N ALA A 16 -3.014 -4.519 5.680 1.00 0.00 N ATOM 195 CA ALA A 16 -3.796 -3.364 6.107 1.00 0.00 C ATOM 196 C ALA A 16 -4.201 -3.486 7.571 1.00 0.00 C ATOM 197 O ALA A 16 -4.860 -4.449 7.966 1.00 0.00 O ATOM 198 CB ALA A 16 -5.027 -3.207 5.227 1.00 0.00 C ATOM 0 H ALA A 16 -3.564 -5.272 5.267 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.173 -2.476 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.602 -2.341 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.718 -3.065 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.644 -4.102 5.302 1.00 0.00 H new ATOM 204 N LYS A 17 -3.804 -2.505 8.374 1.00 0.00 N ATOM 205 CA LYS A 17 -4.126 -2.502 9.796 1.00 0.00 C ATOM 206 C LYS A 17 -4.955 -1.275 10.164 1.00 0.00 C ATOM 207 O LYS A 17 -5.042 -0.321 9.391 1.00 0.00 O ATOM 208 CB LYS A 17 -2.844 -2.532 10.631 1.00 0.00 C ATOM 209 CG LYS A 17 -1.846 -3.583 10.175 1.00 0.00 C ATOM 210 CD LYS A 17 -0.977 -4.063 11.326 1.00 0.00 C ATOM 211 CE LYS A 17 -0.396 -5.441 11.047 1.00 0.00 C ATOM 212 NZ LYS A 17 0.331 -5.985 12.228 1.00 0.00 N ATOM 0 H LYS A 17 -3.258 -1.701 8.064 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.714 -3.394 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.370 -1.551 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.103 -2.717 11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.380 -4.430 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.214 -3.170 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.168 -3.352 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.568 -4.094 12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.198 -6.124 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.284 -5.383 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.712 -6.925 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.113 -5.346 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.323 -6.064 13.032 1.00 0.00 H new ATOM 226 N GLU A 18 -5.560 -1.307 11.347 1.00 0.00 N ATOM 227 CA GLU A 18 -6.380 -0.197 11.815 1.00 0.00 C ATOM 228 C GLU A 18 -7.360 0.250 10.734 1.00 0.00 C ATOM 229 O GLU A 18 -7.559 1.445 10.515 1.00 0.00 O ATOM 230 CB GLU A 18 -5.496 0.979 12.234 1.00 0.00 C ATOM 231 CG GLU A 18 -4.543 0.650 13.371 1.00 0.00 C ATOM 232 CD GLU A 18 -5.263 0.415 14.685 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.733 1.402 15.288 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.355 -0.755 15.111 1.00 0.00 O ATOM 0 H GLU A 18 -5.497 -2.089 11.998 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.950 -0.540 12.679 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.918 1.313 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.132 1.812 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.967 -0.239 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.831 1.467 13.492 1.00 0.00 H new ATOM 241 N VAL A 19 -7.969 -0.720 10.059 1.00 0.00 N ATOM 242 CA VAL A 19 -8.929 -0.429 9.000 1.00 0.00 C ATOM 243 C VAL A 19 -10.222 0.141 9.572 1.00 0.00 C ATOM 244 O VAL A 19 -10.883 -0.493 10.394 1.00 0.00 O ATOM 245 CB VAL A 19 -9.256 -1.688 8.177 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.298 -1.376 7.114 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.993 -2.255 7.546 1.00 0.00 C ATOM 0 H VAL A 19 -7.815 -1.714 10.227 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.466 0.312 8.348 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.670 -2.441 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.516 -2.278 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.210 -1.020 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.915 -0.606 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.243 -3.145 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.548 -1.508 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.282 -2.519 8.329 1.00 0.00 H new ATOM 257 N THR A 20 -10.578 1.344 9.131 1.00 0.00 N ATOM 258 CA THR A 20 -11.792 2.001 9.599 1.00 0.00 C ATOM 259 C THR A 20 -12.536 2.667 8.447 1.00 0.00 C ATOM 260 O THR A 20 -11.963 2.972 7.401 1.00 0.00 O ATOM 261 CB THR A 20 -11.480 3.059 10.674 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.179 3.615 10.451 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.545 2.451 12.067 1.00 0.00 C ATOM 0 H THR A 20 -10.042 1.883 8.450 1.00 0.00 H new ATOM 0 HA THR A 20 -12.422 1.226 10.035 1.00 0.00 H new ATOM 0 HB THR A 20 -12.229 3.848 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.992 3.634 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.321 3.217 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.545 2.055 12.245 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.816 1.645 12.146 1.00 0.00 H new ATOM 271 N PRO A 21 -13.843 2.899 8.641 1.00 0.00 N ATOM 272 CA PRO A 21 -14.693 3.533 7.629 1.00 0.00 C ATOM 273 C PRO A 21 -14.359 5.008 7.433 1.00 0.00 C ATOM 274 O PRO A 21 -14.967 5.687 6.605 1.00 0.00 O ATOM 275 CB PRO A 21 -16.104 3.375 8.201 1.00 0.00 C ATOM 276 CG PRO A 21 -15.905 3.266 9.674 1.00 0.00 C ATOM 277 CD PRO A 21 -14.591 2.561 9.863 1.00 0.00 C ATOM 0 HA PRO A 21 -14.564 3.080 6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.732 4.230 7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.596 2.489 7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.890 4.251 10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.718 2.707 10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.075 2.907 10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.724 1.484 9.968 1.00 0.00 H new ATOM 285 N ARG A 22 -13.390 5.498 8.200 1.00 0.00 N ATOM 286 CA ARG A 22 -12.977 6.893 8.111 1.00 0.00 C ATOM 287 C ARG A 22 -11.506 7.001 7.721 1.00 0.00 C ATOM 288 O ARG A 22 -11.076 8.001 7.147 1.00 0.00 O ATOM 289 CB ARG A 22 -13.215 7.604 9.445 1.00 0.00 C ATOM 290 CG ARG A 22 -14.672 7.611 9.880 1.00 0.00 C ATOM 291 CD ARG A 22 -14.806 7.882 11.370 1.00 0.00 C ATOM 292 NE ARG A 22 -16.194 7.798 11.819 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.613 8.240 12.999 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.756 8.794 13.846 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.892 8.128 13.335 1.00 0.00 N ATOM 0 H ARG A 22 -12.877 4.949 8.890 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.576 7.374 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.616 7.120 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.863 8.633 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.217 8.371 9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.129 6.651 9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.201 7.164 11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.411 8.873 11.595 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.879 7.377 11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.772 8.882 13.592 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.081 9.133 14.752 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.554 7.702 12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.213 8.468 14.242 1.00 0.00 H new ATOM 309 N THR A 23 -10.738 5.963 8.037 1.00 0.00 N ATOM 310 CA THR A 23 -9.315 5.941 7.721 1.00 0.00 C ATOM 311 C THR A 23 -8.799 4.511 7.608 1.00 0.00 C ATOM 312 O THR A 23 -9.441 3.570 8.076 1.00 0.00 O ATOM 313 CB THR A 23 -8.492 6.689 8.787 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.690 6.087 10.071 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.886 8.157 8.843 1.00 0.00 C ATOM 0 H THR A 23 -11.078 5.126 8.512 1.00 0.00 H new ATOM 0 HA THR A 23 -9.196 6.444 6.761 1.00 0.00 H new ATOM 0 HB THR A 23 -7.439 6.622 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.283 5.312 9.981 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.292 8.665 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.706 8.619 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.943 8.241 9.094 1.00 0.00 H new ATOM 323 N ALA A 24 -7.636 4.354 6.984 1.00 0.00 N ATOM 324 CA ALA A 24 -7.033 3.038 6.812 1.00 0.00 C ATOM 325 C ALA A 24 -5.511 3.127 6.819 1.00 0.00 C ATOM 326 O ALA A 24 -4.919 3.882 6.046 1.00 0.00 O ATOM 327 CB ALA A 24 -7.521 2.399 5.521 1.00 0.00 C ATOM 0 H ALA A 24 -7.093 5.122 6.589 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.338 2.413 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.063 1.417 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.605 2.292 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.245 3.030 4.676 1.00 0.00 H new ATOM 333 N LEU A 25 -4.881 2.353 7.696 1.00 0.00 N ATOM 334 CA LEU A 25 -3.427 2.344 7.804 1.00 0.00 C ATOM 335 C LEU A 25 -2.841 1.085 7.173 1.00 0.00 C ATOM 336 O LEU A 25 -3.366 -0.014 7.353 1.00 0.00 O ATOM 337 CB LEU A 25 -3.004 2.438 9.271 1.00 0.00 C ATOM 338 CG LEU A 25 -1.532 2.146 9.565 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.669 3.348 9.215 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.346 1.761 11.026 1.00 0.00 C ATOM 0 H LEU A 25 -5.355 1.723 8.343 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.042 3.210 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.234 3.441 9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.614 1.744 9.849 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.217 1.306 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.375 3.122 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.779 3.578 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.984 4.207 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.293 1.557 11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.678 2.580 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.934 0.870 11.245 1.00 0.00 H new ATOM 352 N LEU A 26 -1.749 1.252 6.435 1.00 0.00 N ATOM 353 CA LEU A 26 -1.090 0.129 5.779 1.00 0.00 C ATOM 354 C LEU A 26 0.358 0.001 6.243 1.00 0.00 C ATOM 355 O LEU A 26 1.138 0.949 6.150 1.00 0.00 O ATOM 356 CB LEU A 26 -1.137 0.300 4.260 1.00 0.00 C ATOM 357 CG LEU A 26 -2.367 -0.276 3.557 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.690 0.523 2.305 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.146 -1.742 3.215 1.00 0.00 C ATOM 0 H LEU A 26 -1.301 2.155 6.276 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.622 -0.782 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.078 1.364 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.248 -0.166 3.834 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.217 -0.205 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.568 0.098 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.891 1.559 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.842 0.486 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.031 -2.136 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.284 -1.836 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.965 -2.306 4.130 1.00 0.00 H new ATOM 371 N THR A 27 0.712 -1.180 6.741 1.00 0.00 N ATOM 372 CA THR A 27 2.066 -1.433 7.218 1.00 0.00 C ATOM 373 C THR A 27 2.815 -2.369 6.276 1.00 0.00 C ATOM 374 O THR A 27 2.289 -3.404 5.868 1.00 0.00 O ATOM 375 CB THR A 27 2.058 -2.045 8.632 1.00 0.00 C ATOM 376 OG1 THR A 27 1.377 -3.305 8.617 1.00 0.00 O ATOM 377 CG2 THR A 27 1.382 -1.109 9.623 1.00 0.00 C ATOM 0 H THR A 27 0.080 -1.976 6.824 1.00 0.00 H new ATOM 0 HA THR A 27 2.575 -0.470 7.249 1.00 0.00 H new ATOM 0 HB THR A 27 3.091 -2.195 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.595 -3.785 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.388 -1.562 10.614 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.920 -0.162 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.353 -0.932 9.312 1.00 0.00 H new ATOM 385 N TRP A 28 4.044 -1.998 5.936 1.00 0.00 N ATOM 386 CA TRP A 28 4.865 -2.806 5.042 1.00 0.00 C ATOM 387 C TRP A 28 6.282 -2.951 5.586 1.00 0.00 C ATOM 388 O TRP A 28 6.738 -2.132 6.386 1.00 0.00 O ATOM 389 CB TRP A 28 4.903 -2.180 3.646 1.00 0.00 C ATOM 390 CG TRP A 28 5.710 -0.919 3.583 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.058 -0.817 3.384 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.221 0.419 3.721 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.435 0.504 3.390 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.326 1.283 3.594 1.00 0.00 C ATOM 395 CE3 TRP A 28 3.956 0.972 3.937 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.203 2.667 3.677 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.835 2.346 4.020 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.953 3.181 3.890 1.00 0.00 C ATOM 0 H TRP A 28 4.494 -1.144 6.265 1.00 0.00 H new ATOM 0 HA TRP A 28 4.418 -3.798 4.976 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.316 -2.903 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.884 -1.967 3.323 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.728 -1.652 3.243 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.386 0.849 3.263 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.088 0.337 4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.063 3.312 3.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.862 2.784 4.188 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.825 4.251 3.959 1.00 0.00 H new ATOM 409 N THR A 29 6.976 -3.997 5.148 1.00 0.00 N ATOM 410 CA THR A 29 8.341 -4.249 5.593 1.00 0.00 C ATOM 411 C THR A 29 9.354 -3.646 4.626 1.00 0.00 C ATOM 412 O THR A 29 9.448 -4.064 3.472 1.00 0.00 O ATOM 413 CB THR A 29 8.617 -5.758 5.733 1.00 0.00 C ATOM 414 OG1 THR A 29 7.916 -6.280 6.867 1.00 0.00 O ATOM 415 CG2 THR A 29 10.107 -6.024 5.885 1.00 0.00 C ATOM 0 H THR A 29 6.615 -4.683 4.485 1.00 0.00 H new ATOM 0 HA THR A 29 8.448 -3.776 6.569 1.00 0.00 H new ATOM 0 HB THR A 29 8.266 -6.255 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.095 -7.240 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.277 -7.096 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.635 -5.651 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.478 -5.516 6.775 1.00 0.00 H new ATOM 423 N GLU A 30 10.111 -2.664 5.105 1.00 0.00 N ATOM 424 CA GLU A 30 11.117 -2.004 4.281 1.00 0.00 C ATOM 425 C GLU A 30 12.275 -2.950 3.976 1.00 0.00 C ATOM 426 O GLU A 30 12.713 -3.729 4.823 1.00 0.00 O ATOM 427 CB GLU A 30 11.641 -0.749 4.983 1.00 0.00 C ATOM 428 CG GLU A 30 10.798 0.488 4.724 1.00 0.00 C ATOM 429 CD GLU A 30 11.604 1.770 4.809 1.00 0.00 C ATOM 430 OE1 GLU A 30 11.791 2.281 5.933 1.00 0.00 O ATOM 431 OE2 GLU A 30 12.048 2.262 3.750 1.00 0.00 O ATOM 0 H GLU A 30 10.047 -2.308 6.059 1.00 0.00 H new ATOM 0 HA GLU A 30 10.647 -1.716 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.681 -0.933 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.662 -0.558 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.344 0.413 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.984 0.526 5.447 1.00 0.00 H new ATOM 438 N PRO A 31 12.784 -2.882 2.737 1.00 0.00 N ATOM 439 CA PRO A 31 13.897 -3.724 2.291 1.00 0.00 C ATOM 440 C PRO A 31 15.215 -3.345 2.958 1.00 0.00 C ATOM 441 O PRO A 31 15.327 -2.316 3.624 1.00 0.00 O ATOM 442 CB PRO A 31 13.964 -3.456 0.785 1.00 0.00 C ATOM 443 CG PRO A 31 13.369 -2.101 0.615 1.00 0.00 C ATOM 444 CD PRO A 31 12.311 -1.976 1.676 1.00 0.00 C ATOM 0 HA PRO A 31 13.741 -4.772 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.992 -3.485 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.407 -4.206 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.127 -1.325 0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.939 -1.986 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.220 -0.951 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.330 -2.271 1.303 1.00 0.00 H new ATOM 452 N PRO A 32 16.237 -4.194 2.776 1.00 0.00 N ATOM 453 CA PRO A 32 17.566 -3.968 3.352 1.00 0.00 C ATOM 454 C PRO A 32 18.292 -2.800 2.694 1.00 0.00 C ATOM 455 O PRO A 32 19.391 -2.427 3.106 1.00 0.00 O ATOM 456 CB PRO A 32 18.302 -5.281 3.072 1.00 0.00 C ATOM 457 CG PRO A 32 17.616 -5.853 1.880 1.00 0.00 C ATOM 458 CD PRO A 32 16.174 -5.440 1.994 1.00 0.00 C ATOM 0 HA PRO A 32 17.513 -3.710 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.360 -5.108 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.244 -5.957 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.058 -5.477 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.710 -6.939 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.724 -5.277 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.577 -6.200 2.497 1.00 0.00 H new ATOM 466 N VAL A 33 17.670 -2.224 1.670 1.00 0.00 N ATOM 467 CA VAL A 33 18.256 -1.096 0.956 1.00 0.00 C ATOM 468 C VAL A 33 17.291 0.082 0.902 1.00 0.00 C ATOM 469 O VAL A 33 16.354 0.095 0.103 1.00 0.00 O ATOM 470 CB VAL A 33 18.654 -1.486 -0.480 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.028 -0.251 -1.285 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.798 -2.489 -0.463 1.00 0.00 C ATOM 0 H VAL A 33 16.760 -2.520 1.316 1.00 0.00 H new ATOM 0 HA VAL A 33 19.150 -0.804 1.506 1.00 0.00 H new ATOM 0 HB VAL A 33 17.796 -1.957 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.306 -0.547 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.176 0.428 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.870 0.252 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.066 -2.753 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.661 -2.048 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.488 -3.386 0.074 1.00 0.00 H new ATOM 482 N ARG A 34 17.526 1.072 1.757 1.00 0.00 N ATOM 483 CA ARG A 34 16.676 2.256 1.808 1.00 0.00 C ATOM 484 C ARG A 34 16.608 2.935 0.443 1.00 0.00 C ATOM 485 O ARG A 34 17.588 3.496 -0.048 1.00 0.00 O ATOM 486 CB ARG A 34 17.199 3.241 2.855 1.00 0.00 C ATOM 487 CG ARG A 34 16.110 4.085 3.495 1.00 0.00 C ATOM 488 CD ARG A 34 15.427 3.343 4.633 1.00 0.00 C ATOM 489 NE ARG A 34 16.209 3.390 5.866 1.00 0.00 N ATOM 490 CZ ARG A 34 15.976 2.610 6.915 1.00 0.00 C ATOM 491 NH1 ARG A 34 14.989 1.726 6.881 1.00 0.00 N ATOM 492 NH2 ARG A 34 16.732 2.713 8.000 1.00 0.00 N ATOM 0 H ARG A 34 18.298 1.078 2.424 1.00 0.00 H new ATOM 0 HA ARG A 34 15.671 1.940 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.722 2.686 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.930 3.900 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.541 5.013 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.371 4.359 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.444 3.778 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.268 2.304 4.344 1.00 0.00 H new ATOM 0 HE ARG A 34 16.977 4.059 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.406 1.644 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.812 1.128 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.493 3.392 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.552 2.114 8.805 1.00 0.00 H new ATOM 506 N PRO A 35 15.424 2.884 -0.185 1.00 0.00 N ATOM 507 CA PRO A 35 15.200 3.489 -1.501 1.00 0.00 C ATOM 508 C PRO A 35 15.217 5.013 -1.449 1.00 0.00 C ATOM 509 O PRO A 35 15.190 5.607 -0.372 1.00 0.00 O ATOM 510 CB PRO A 35 13.809 2.983 -1.892 1.00 0.00 C ATOM 511 CG PRO A 35 13.133 2.696 -0.596 1.00 0.00 C ATOM 512 CD PRO A 35 14.213 2.232 0.341 1.00 0.00 C ATOM 0 HA PRO A 35 15.982 3.220 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.263 3.731 -2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.873 2.089 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.637 3.586 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.366 1.931 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.009 2.532 1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.308 1.146 0.339 1.00 0.00 H new ATOM 520 N ALA A 36 15.262 5.640 -2.620 1.00 0.00 N ATOM 521 CA ALA A 36 15.280 7.095 -2.708 1.00 0.00 C ATOM 522 C ALA A 36 13.974 7.692 -2.195 1.00 0.00 C ATOM 523 O ALA A 36 13.979 8.630 -1.399 1.00 0.00 O ATOM 524 CB ALA A 36 15.537 7.534 -4.142 1.00 0.00 C ATOM 0 H ALA A 36 15.287 5.163 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 36 16.089 7.463 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.548 8.623 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.500 7.146 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.748 7.148 -4.788 1.00 0.00 H new ATOM 530 N GLY A 37 12.855 7.142 -2.658 1.00 0.00 N ATOM 531 CA GLY A 37 11.557 7.634 -2.236 1.00 0.00 C ATOM 532 C GLY A 37 10.466 6.591 -2.380 1.00 0.00 C ATOM 533 O GLY A 37 10.715 5.486 -2.862 1.00 0.00 O ATOM 0 H GLY A 37 12.825 6.365 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.614 7.954 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.296 8.512 -2.826 1.00 0.00 H new ATOM 537 N TYR A 38 9.256 6.941 -1.960 1.00 0.00 N ATOM 538 CA TYR A 38 8.124 6.025 -2.041 1.00 0.00 C ATOM 539 C TYR A 38 6.919 6.704 -2.685 1.00 0.00 C ATOM 540 O TYR A 38 6.625 7.867 -2.409 1.00 0.00 O ATOM 541 CB TYR A 38 7.752 5.516 -0.647 1.00 0.00 C ATOM 542 CG TYR A 38 8.476 4.249 -0.252 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.546 3.166 -1.119 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.091 4.135 0.989 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.206 2.006 -0.762 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.755 2.980 1.354 1.00 0.00 C ATOM 547 CZ TYR A 38 9.809 1.918 0.475 1.00 0.00 C ATOM 548 OH TYR A 38 10.468 0.765 0.835 1.00 0.00 O ATOM 0 H TYR A 38 9.033 7.852 -1.560 1.00 0.00 H new ATOM 0 HA TYR A 38 8.417 5.179 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.972 6.293 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.677 5.337 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.076 3.232 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.049 4.964 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.249 1.173 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.229 2.909 2.322 1.00 0.00 H new ATOM 0 HH TYR A 38 11.033 0.941 1.616 1.00 0.00 H new ATOM 558 N LEU A 39 6.224 5.968 -3.545 1.00 0.00 N ATOM 559 CA LEU A 39 5.049 6.496 -4.230 1.00 0.00 C ATOM 560 C LEU A 39 3.827 5.624 -3.966 1.00 0.00 C ATOM 561 O LEU A 39 3.580 4.650 -4.678 1.00 0.00 O ATOM 562 CB LEU A 39 5.310 6.587 -5.735 1.00 0.00 C ATOM 563 CG LEU A 39 4.413 7.550 -6.514 1.00 0.00 C ATOM 564 CD1 LEU A 39 5.008 8.949 -6.517 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.207 7.053 -7.937 1.00 0.00 C ATOM 0 H LEU A 39 6.454 5.004 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 39 4.850 7.495 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.347 6.885 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.199 5.591 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 39 3.442 7.592 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.356 9.620 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.103 9.306 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.992 8.925 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.566 7.750 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.171 6.982 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.736 6.070 -7.915 1.00 0.00 H new ATOM 577 N LEU A 40 3.063 5.980 -2.939 1.00 0.00 N ATOM 578 CA LEU A 40 1.863 5.231 -2.581 1.00 0.00 C ATOM 579 C LEU A 40 0.671 5.679 -3.421 1.00 0.00 C ATOM 580 O LEU A 40 0.047 6.700 -3.135 1.00 0.00 O ATOM 581 CB LEU A 40 1.550 5.410 -1.095 1.00 0.00 C ATOM 582 CG LEU A 40 0.302 4.693 -0.580 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.598 3.224 -0.322 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.216 5.365 0.683 1.00 0.00 C ATOM 0 H LEU A 40 3.253 6.783 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 40 2.050 4.176 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.408 5.062 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.441 6.476 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.472 4.757 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.302 2.730 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.921 2.750 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.388 3.138 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.105 4.841 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.554 5.333 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.469 6.403 0.466 1.00 0.00 H new ATOM 596 N SER A 41 0.360 4.906 -4.457 1.00 0.00 N ATOM 597 CA SER A 41 -0.756 5.223 -5.340 1.00 0.00 C ATOM 598 C SER A 41 -1.913 4.252 -5.124 1.00 0.00 C ATOM 599 O SER A 41 -1.799 3.060 -5.412 1.00 0.00 O ATOM 600 CB SER A 41 -0.306 5.182 -6.801 1.00 0.00 C ATOM 601 OG SER A 41 0.753 4.258 -6.983 1.00 0.00 O ATOM 0 H SER A 41 0.866 4.056 -4.705 1.00 0.00 H new ATOM 0 HA SER A 41 -1.100 6.229 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.147 4.905 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.016 6.175 -7.114 1.00 0.00 H new ATOM 0 HG SER A 41 1.021 4.249 -7.926 1.00 0.00 H new ATOM 607 N PHE A 42 -3.025 4.770 -4.615 1.00 0.00 N ATOM 608 CA PHE A 42 -4.203 3.950 -4.359 1.00 0.00 C ATOM 609 C PHE A 42 -5.444 4.564 -5.001 1.00 0.00 C ATOM 610 O PHE A 42 -5.660 5.774 -4.929 1.00 0.00 O ATOM 611 CB PHE A 42 -4.422 3.789 -2.853 1.00 0.00 C ATOM 612 CG PHE A 42 -4.914 5.039 -2.182 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.033 6.055 -1.847 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.258 5.199 -1.886 1.00 0.00 C ATOM 615 CE1 PHE A 42 -4.483 7.206 -1.229 1.00 0.00 C ATOM 616 CE2 PHE A 42 -6.715 6.348 -1.268 1.00 0.00 C ATOM 617 CZ PHE A 42 -5.826 7.353 -0.940 1.00 0.00 C ATOM 0 H PHE A 42 -3.135 5.754 -4.371 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.034 2.969 -4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.141 2.987 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.485 3.481 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.982 5.946 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.957 4.416 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.786 7.990 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.765 6.460 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.180 8.252 -0.458 1.00 0.00 H new ATOM 627 N HIS A 43 -6.256 3.720 -5.632 1.00 0.00 N ATOM 628 CA HIS A 43 -7.475 4.179 -6.287 1.00 0.00 C ATOM 629 C HIS A 43 -8.666 3.314 -5.887 1.00 0.00 C ATOM 630 O HIS A 43 -8.501 2.174 -5.451 1.00 0.00 O ATOM 631 CB HIS A 43 -7.302 4.157 -7.806 1.00 0.00 C ATOM 632 CG HIS A 43 -7.702 2.858 -8.436 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.881 1.751 -8.466 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.846 2.493 -9.061 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.501 0.762 -9.083 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.696 1.186 -9.453 1.00 0.00 N ATOM 0 H HIS A 43 -6.091 2.716 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.667 5.202 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.895 4.961 -8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.259 4.363 -8.048 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.715 3.114 -9.221 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.099 -0.226 -9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.394 0.632 -9.949 1.00 0.00 H new ATOM 645 N THR A 44 -9.867 3.863 -6.036 1.00 0.00 N ATOM 646 CA THR A 44 -11.086 3.143 -5.688 1.00 0.00 C ATOM 647 C THR A 44 -11.747 2.551 -6.927 1.00 0.00 C ATOM 648 O THR A 44 -11.771 3.158 -7.998 1.00 0.00 O ATOM 649 CB THR A 44 -12.094 4.059 -4.970 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.262 3.313 -4.607 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.490 5.229 -5.857 1.00 0.00 C ATOM 0 H THR A 44 -10.022 4.805 -6.396 1.00 0.00 H new ATOM 0 HA THR A 44 -10.796 2.337 -5.014 1.00 0.00 H new ATOM 0 HB THR A 44 -11.618 4.450 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.897 3.902 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.203 5.862 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.604 5.812 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.948 4.853 -6.772 1.00 0.00 H new ATOM 659 N PRO A 45 -12.298 1.337 -6.782 1.00 0.00 N ATOM 660 CA PRO A 45 -12.972 0.636 -7.880 1.00 0.00 C ATOM 661 C PRO A 45 -14.291 1.297 -8.266 1.00 0.00 C ATOM 662 O PRO A 45 -15.359 0.881 -7.818 1.00 0.00 O ATOM 663 CB PRO A 45 -13.221 -0.762 -7.309 1.00 0.00 C ATOM 664 CG PRO A 45 -13.265 -0.566 -5.832 1.00 0.00 C ATOM 665 CD PRO A 45 -12.307 0.554 -5.535 1.00 0.00 C ATOM 0 HA PRO A 45 -12.375 0.638 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.156 -1.181 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.427 -1.453 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.273 -0.316 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.975 -1.477 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.640 1.153 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.314 0.178 -5.290 1.00 0.00 H new ATOM 704 N THR A 49 -8.278 8.273 -8.959 1.00 0.00 N ATOM 705 CA THR A 49 -7.014 7.831 -8.384 1.00 0.00 C ATOM 706 C THR A 49 -6.328 8.963 -7.628 1.00 0.00 C ATOM 707 O THR A 49 -6.386 10.121 -8.041 1.00 0.00 O ATOM 708 CB THR A 49 -6.058 7.300 -9.469 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.633 6.156 -10.111 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.711 6.927 -8.869 1.00 0.00 C ATOM 0 HA THR A 49 -7.248 7.024 -7.690 1.00 0.00 H new ATOM 0 HB THR A 49 -5.904 8.090 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.610 6.207 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.053 6.555 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.263 7.806 -8.407 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.850 6.152 -8.115 1.00 0.00 H new ATOM 718 N GLN A 50 -5.678 8.621 -6.521 1.00 0.00 N ATOM 719 CA GLN A 50 -4.980 9.610 -5.708 1.00 0.00 C ATOM 720 C GLN A 50 -3.530 9.199 -5.475 1.00 0.00 C ATOM 721 O GLN A 50 -3.259 8.117 -4.953 1.00 0.00 O ATOM 722 CB GLN A 50 -5.693 9.794 -4.367 1.00 0.00 C ATOM 723 CG GLN A 50 -4.948 10.702 -3.402 1.00 0.00 C ATOM 724 CD GLN A 50 -5.840 11.236 -2.298 1.00 0.00 C ATOM 725 OE1 GLN A 50 -5.736 10.820 -1.144 1.00 0.00 O ATOM 726 NE2 GLN A 50 -6.723 12.164 -2.647 1.00 0.00 N ATOM 0 H GLN A 50 -5.620 7.666 -6.166 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.987 10.557 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.686 10.205 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.831 8.818 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.118 10.152 -2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.519 11.538 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.775 12.480 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.349 12.561 -1.947 1.00 0.00 H new ATOM 735 N GLU A 51 -2.603 10.068 -5.864 1.00 0.00 N ATOM 736 CA GLU A 51 -1.181 9.793 -5.698 1.00 0.00 C ATOM 737 C GLU A 51 -0.607 10.587 -4.528 1.00 0.00 C ATOM 738 O GLU A 51 -1.013 11.721 -4.274 1.00 0.00 O ATOM 739 CB GLU A 51 -0.420 10.132 -6.981 1.00 0.00 C ATOM 740 CG GLU A 51 -0.582 9.093 -8.078 1.00 0.00 C ATOM 741 CD GLU A 51 0.146 9.473 -9.353 1.00 0.00 C ATOM 742 OE1 GLU A 51 1.152 10.207 -9.266 1.00 0.00 O ATOM 743 OE2 GLU A 51 -0.291 9.034 -10.437 1.00 0.00 O ATOM 0 H GLU A 51 -2.811 10.968 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.065 8.730 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.764 11.097 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.639 10.239 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.207 8.133 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.642 8.961 -8.295 1.00 0.00 H new ATOM 750 N ILE A 52 0.340 9.982 -3.818 1.00 0.00 N ATOM 751 CA ILE A 52 0.970 10.631 -2.676 1.00 0.00 C ATOM 752 C ILE A 52 2.472 10.366 -2.652 1.00 0.00 C ATOM 753 O ILE A 52 2.911 9.217 -2.723 1.00 0.00 O ATOM 754 CB ILE A 52 0.355 10.155 -1.347 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.085 10.656 -1.218 1.00 0.00 C ATOM 756 CG2 ILE A 52 1.195 10.634 -0.172 1.00 0.00 C ATOM 757 CD1 ILE A 52 -1.791 10.153 0.022 1.00 0.00 C ATOM 0 H ILE A 52 0.687 9.043 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 52 0.794 11.701 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 52 0.343 9.065 -1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.082 11.746 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.649 10.347 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.747 10.289 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.205 10.233 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.236 11.723 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.807 10.548 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.825 9.064 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.250 10.485 0.908 1.00 0.00 H new ATOM 769 N LEU A 53 3.254 11.434 -2.549 1.00 0.00 N ATOM 770 CA LEU A 53 4.708 11.317 -2.514 1.00 0.00 C ATOM 771 C LEU A 53 5.208 11.174 -1.080 1.00 0.00 C ATOM 772 O LEU A 53 5.463 12.168 -0.398 1.00 0.00 O ATOM 773 CB LEU A 53 5.354 12.538 -3.172 1.00 0.00 C ATOM 774 CG LEU A 53 6.789 12.353 -3.666 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.086 13.307 -4.813 1.00 0.00 C ATOM 776 CD2 LEU A 53 7.776 12.562 -2.527 1.00 0.00 C ATOM 0 H LEU A 53 2.906 12.391 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 53 4.989 10.422 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.736 12.840 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.340 13.361 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 53 6.898 11.332 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.112 13.161 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.400 13.110 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.959 14.335 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.792 12.426 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.666 13.571 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.578 11.838 -1.737 1.00 0.00 H new ATOM 788 N LEU A 54 5.348 9.933 -0.629 1.00 0.00 N ATOM 789 CA LEU A 54 5.820 9.659 0.724 1.00 0.00 C ATOM 790 C LEU A 54 7.237 10.186 0.924 1.00 0.00 C ATOM 791 O LEU A 54 7.980 10.416 -0.031 1.00 0.00 O ATOM 792 CB LEU A 54 5.778 8.156 1.006 1.00 0.00 C ATOM 793 CG LEU A 54 4.462 7.615 1.567 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.521 7.225 0.439 1.00 0.00 C ATOM 795 CD2 LEU A 54 4.722 6.427 2.482 1.00 0.00 C ATOM 0 H LEU A 54 5.141 9.100 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 54 5.159 10.172 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.000 7.626 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.576 7.916 1.709 1.00 0.00 H new ATOM 0 HG LEU A 54 3.987 8.403 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.590 6.842 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.310 8.099 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.987 6.454 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.775 6.054 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.219 5.636 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.359 6.738 3.310 1.00 0.00 H new ATOM 807 N PRO A 55 7.623 10.380 2.193 1.00 0.00 N ATOM 808 CA PRO A 55 8.955 10.879 2.548 1.00 0.00 C ATOM 809 C PRO A 55 10.051 9.856 2.268 1.00 0.00 C ATOM 810 O PRO A 55 11.193 10.217 1.986 1.00 0.00 O ATOM 811 CB PRO A 55 8.845 11.147 4.051 1.00 0.00 C ATOM 812 CG PRO A 55 7.765 10.234 4.520 1.00 0.00 C ATOM 813 CD PRO A 55 6.790 10.127 3.381 1.00 0.00 C ATOM 0 HA PRO A 55 9.230 11.757 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.787 10.941 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.597 12.189 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.168 9.256 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.280 10.629 5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.324 9.142 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.986 10.857 3.471 1.00 0.00 H new ATOM 821 N GLY A 56 9.696 8.578 2.347 1.00 0.00 N ATOM 822 CA GLY A 56 10.661 7.523 2.099 1.00 0.00 C ATOM 823 C GLY A 56 11.455 7.160 3.338 1.00 0.00 C ATOM 824 O GLY A 56 12.325 7.915 3.769 1.00 0.00 O ATOM 0 H GLY A 56 8.757 8.254 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.141 6.638 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.346 7.839 1.312 1.00 0.00 H new ATOM 828 N GLY A 57 11.153 6.000 3.915 1.00 0.00 N ATOM 829 CA GLY A 57 11.853 5.560 5.107 1.00 0.00 C ATOM 830 C GLY A 57 10.907 5.215 6.240 1.00 0.00 C ATOM 831 O GLY A 57 11.328 5.079 7.390 1.00 0.00 O ATOM 0 H GLY A 57 10.436 5.358 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.461 4.688 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.536 6.344 5.434 1.00 0.00 H new ATOM 835 N ILE A 58 9.626 5.074 5.917 1.00 0.00 N ATOM 836 CA ILE A 58 8.618 4.743 6.917 1.00 0.00 C ATOM 837 C ILE A 58 8.065 3.339 6.697 1.00 0.00 C ATOM 838 O ILE A 58 8.260 2.741 5.638 1.00 0.00 O ATOM 839 CB ILE A 58 7.453 5.750 6.897 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.550 5.495 5.689 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.985 7.175 6.876 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.413 6.485 5.564 1.00 0.00 C ATOM 0 H ILE A 58 9.261 5.184 4.971 1.00 0.00 H new ATOM 0 HA ILE A 58 9.111 4.789 7.888 1.00 0.00 H new ATOM 0 HB ILE A 58 6.862 5.617 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.153 5.530 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.138 4.488 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.150 7.875 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.591 7.350 7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.597 7.322 5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.815 6.243 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.787 6.434 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.817 7.492 5.461 1.00 0.00 H new ATOM 854 N THR A 59 7.372 2.817 7.704 1.00 0.00 N ATOM 855 CA THR A 59 6.789 1.484 7.622 1.00 0.00 C ATOM 856 C THR A 59 5.287 1.524 7.875 1.00 0.00 C ATOM 857 O THR A 59 4.656 0.488 8.089 1.00 0.00 O ATOM 858 CB THR A 59 7.443 0.522 8.631 1.00 0.00 C ATOM 859 OG1 THR A 59 7.311 1.041 9.959 1.00 0.00 O ATOM 860 CG2 THR A 59 8.915 0.314 8.306 1.00 0.00 C ATOM 0 H THR A 59 7.201 3.298 8.587 1.00 0.00 H new ATOM 0 HA THR A 59 6.974 1.120 6.612 1.00 0.00 H new ATOM 0 HB THR A 59 6.934 -0.439 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.728 0.423 10.595 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.355 -0.369 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.011 -0.109 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.435 1.271 8.346 1.00 0.00 H new ATOM 868 N SER A 60 4.718 2.725 7.847 1.00 0.00 N ATOM 869 CA SER A 60 3.289 2.899 8.077 1.00 0.00 C ATOM 870 C SER A 60 2.825 4.272 7.599 1.00 0.00 C ATOM 871 O SER A 60 3.409 5.296 7.955 1.00 0.00 O ATOM 872 CB SER A 60 2.965 2.728 9.562 1.00 0.00 C ATOM 873 OG SER A 60 3.961 3.326 10.374 1.00 0.00 O ATOM 0 H SER A 60 5.225 3.592 7.667 1.00 0.00 H new ATOM 0 HA SER A 60 2.759 2.136 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.996 3.177 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.886 1.667 9.800 1.00 0.00 H new ATOM 0 HG SER A 60 3.730 3.204 11.318 1.00 0.00 H new ATOM 879 N HIS A 61 1.771 4.285 6.788 1.00 0.00 N ATOM 880 CA HIS A 61 1.228 5.531 6.260 1.00 0.00 C ATOM 881 C HIS A 61 -0.272 5.625 6.525 1.00 0.00 C ATOM 882 O HIS A 61 -1.019 4.687 6.247 1.00 0.00 O ATOM 883 CB HIS A 61 1.501 5.636 4.760 1.00 0.00 C ATOM 884 CG HIS A 61 1.647 7.045 4.274 1.00 0.00 C ATOM 885 ND1 HIS A 61 2.279 8.109 4.822 1.00 0.00 N flip ATOM 886 CD2 HIS A 61 1.103 7.493 3.089 1.00 0.00 C flip ATOM 887 CE1 HIS A 61 2.109 9.169 3.967 1.00 0.00 C flip ATOM 888 NE2 HIS A 61 1.396 8.771 2.928 1.00 0.00 N flip ATOM 0 H HIS A 61 1.277 3.447 6.483 1.00 0.00 H new ATOM 0 HA HIS A 61 1.722 6.359 6.769 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.411 5.084 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.687 5.156 4.217 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.787 8.121 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.527 6.893 2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.495 10.166 4.119 1.00 0.00 H new ATOM 897 N GLN A 62 -0.703 6.761 7.063 1.00 0.00 N ATOM 898 CA GLN A 62 -2.113 6.975 7.365 1.00 0.00 C ATOM 899 C GLN A 62 -2.849 7.544 6.157 1.00 0.00 C ATOM 900 O GLN A 62 -2.553 8.649 5.700 1.00 0.00 O ATOM 901 CB GLN A 62 -2.263 7.919 8.559 1.00 0.00 C ATOM 902 CG GLN A 62 -3.703 8.116 9.003 1.00 0.00 C ATOM 903 CD GLN A 62 -4.506 6.831 8.965 1.00 0.00 C ATOM 904 OE1 GLN A 62 -5.102 6.539 7.815 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.591 6.108 9.958 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.097 7.547 7.299 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.555 6.010 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.684 7.528 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.835 8.888 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.715 8.518 10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.179 8.857 8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.117 6.370 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.136 5.247 9.917 1.00 0.00 H new ATOM 914 N LEU A 63 -3.809 6.783 5.643 1.00 0.00 N ATOM 915 CA LEU A 63 -4.588 7.211 4.486 1.00 0.00 C ATOM 916 C LEU A 63 -5.905 7.844 4.921 1.00 0.00 C ATOM 917 O LEU A 63 -6.699 7.227 5.632 1.00 0.00 O ATOM 918 CB LEU A 63 -4.860 6.023 3.562 1.00 0.00 C ATOM 919 CG LEU A 63 -3.711 5.610 2.642 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.089 4.379 1.834 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.327 6.758 1.719 1.00 0.00 C ATOM 0 H LEU A 63 -4.067 5.866 6.009 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.008 7.959 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.132 5.165 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.726 6.260 2.944 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.848 5.363 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.259 4.100 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.313 3.554 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.967 4.598 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.508 6.446 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.186 7.037 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.012 7.614 2.315 1.00 0.00 H new ATOM 933 N LEU A 64 -6.134 9.079 4.487 1.00 0.00 N ATOM 934 CA LEU A 64 -7.357 9.796 4.829 1.00 0.00 C ATOM 935 C LEU A 64 -8.237 9.991 3.598 1.00 0.00 C ATOM 936 O LEU A 64 -7.746 10.016 2.470 1.00 0.00 O ATOM 937 CB LEU A 64 -7.020 11.153 5.449 1.00 0.00 C ATOM 938 CG LEU A 64 -6.094 11.123 6.666 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.333 12.434 6.790 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.888 10.843 7.934 1.00 0.00 C ATOM 0 H LEU A 64 -5.488 9.604 3.897 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.908 9.198 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.560 11.776 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.952 11.639 5.738 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.371 10.319 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.679 12.394 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.734 12.593 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.040 13.256 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.213 10.825 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.634 11.625 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.387 9.878 7.845 1.00 0.00 H new ATOM 952 N GLY A 65 -9.539 10.131 3.824 1.00 0.00 N ATOM 953 CA GLY A 65 -10.466 10.325 2.724 1.00 0.00 C ATOM 954 C GLY A 65 -10.850 9.021 2.053 1.00 0.00 C ATOM 955 O GLY A 65 -10.432 8.748 0.927 1.00 0.00 O ATOM 0 H GLY A 65 -9.969 10.114 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.365 10.819 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.017 10.991 1.987 1.00 0.00 H new ATOM 959 N LEU A 66 -11.646 8.213 2.745 1.00 0.00 N ATOM 960 CA LEU A 66 -12.084 6.929 2.209 1.00 0.00 C ATOM 961 C LEU A 66 -13.603 6.802 2.276 1.00 0.00 C ATOM 962 O LEU A 66 -14.295 7.722 2.711 1.00 0.00 O ATOM 963 CB LEU A 66 -11.430 5.782 2.981 1.00 0.00 C ATOM 964 CG LEU A 66 -9.908 5.844 3.113 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.397 4.677 3.945 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.253 5.849 1.740 1.00 0.00 C ATOM 0 H LEU A 66 -12.001 8.424 3.678 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.779 6.875 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.861 5.752 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.694 4.844 2.492 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.644 6.771 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.312 4.737 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.840 4.718 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.672 3.739 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.170 5.893 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.525 4.940 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.595 6.718 1.177 1.00 0.00 H new ATOM 978 N PHE A 67 -14.115 5.654 1.844 1.00 0.00 N ATOM 979 CA PHE A 67 -15.552 5.405 1.855 1.00 0.00 C ATOM 980 C PHE A 67 -15.890 4.212 2.745 1.00 0.00 C ATOM 981 O PHE A 67 -15.090 3.294 2.926 1.00 0.00 O ATOM 982 CB PHE A 67 -16.059 5.156 0.434 1.00 0.00 C ATOM 983 CG PHE A 67 -15.945 6.355 -0.463 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.309 7.613 -0.010 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.471 6.225 -1.759 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.205 8.718 -0.833 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.365 7.327 -2.587 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.732 8.575 -2.123 1.00 0.00 C ATOM 0 H PHE A 67 -13.556 4.881 1.482 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.046 6.289 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.498 4.330 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.102 4.844 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.678 7.731 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.181 5.252 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.493 9.693 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.996 7.212 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.649 9.438 -2.768 1.00 0.00 H new ATOM 998 N PRO A 68 -17.104 4.225 3.315 1.00 0.00 N ATOM 999 CA PRO A 68 -17.577 3.152 4.195 1.00 0.00 C ATOM 1000 C PRO A 68 -17.837 1.854 3.438 1.00 0.00 C ATOM 1001 O PRO A 68 -18.606 1.828 2.477 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.883 3.711 4.764 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.351 4.692 3.746 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.109 5.287 3.143 1.00 0.00 C ATOM 0 HA PRO A 68 -16.841 2.894 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.617 2.921 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.721 4.190 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.959 4.204 2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.971 5.463 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.253 5.538 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.815 6.205 3.652 1.00 0.00 H new ATOM 1012 N SER A 69 -17.192 0.778 3.878 1.00 0.00 N ATOM 1013 CA SER A 69 -17.352 -0.523 3.240 1.00 0.00 C ATOM 1014 C SER A 69 -16.944 -0.461 1.771 1.00 0.00 C ATOM 1015 O SER A 69 -17.546 -1.115 0.919 1.00 0.00 O ATOM 1016 CB SER A 69 -18.801 -0.998 3.359 1.00 0.00 C ATOM 1017 OG SER A 69 -18.957 -2.300 2.820 1.00 0.00 O ATOM 0 H SER A 69 -16.554 0.782 4.674 1.00 0.00 H new ATOM 0 HA SER A 69 -16.701 -1.233 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.103 -0.996 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.459 -0.303 2.836 1.00 0.00 H new ATOM 0 HG SER A 69 -18.582 -2.326 1.915 1.00 0.00 H new ATOM 1023 N THR A 70 -15.915 0.329 1.482 1.00 0.00 N ATOM 1024 CA THR A 70 -15.426 0.479 0.117 1.00 0.00 C ATOM 1025 C THR A 70 -14.027 -0.107 -0.032 1.00 0.00 C ATOM 1026 O THR A 70 -13.106 0.265 0.696 1.00 0.00 O ATOM 1027 CB THR A 70 -15.399 1.958 -0.312 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.728 2.492 -0.312 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.786 2.109 -1.696 1.00 0.00 C ATOM 0 H THR A 70 -15.404 0.875 2.175 1.00 0.00 H new ATOM 0 HA THR A 70 -16.116 -0.065 -0.528 1.00 0.00 H new ATOM 0 HB THR A 70 -14.786 2.509 0.401 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.898 2.947 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.778 3.162 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.765 1.728 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.376 1.545 -2.419 1.00 0.00 H new ATOM 1037 N SER A 71 -13.873 -1.025 -0.981 1.00 0.00 N ATOM 1038 CA SER A 71 -12.585 -1.665 -1.224 1.00 0.00 C ATOM 1039 C SER A 71 -11.639 -0.720 -1.959 1.00 0.00 C ATOM 1040 O SER A 71 -12.008 -0.111 -2.963 1.00 0.00 O ATOM 1041 CB SER A 71 -12.774 -2.948 -2.035 1.00 0.00 C ATOM 1042 OG SER A 71 -11.535 -3.599 -2.257 1.00 0.00 O ATOM 0 H SER A 71 -14.624 -1.342 -1.594 1.00 0.00 H new ATOM 0 HA SER A 71 -12.144 -1.915 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.451 -3.619 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.241 -2.712 -2.991 1.00 0.00 H new ATOM 0 HG SER A 71 -11.684 -4.417 -2.776 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.417 -0.604 -1.451 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.418 0.268 -2.056 1.00 0.00 C ATOM 1050 C TYR A 72 -8.170 -0.520 -2.444 1.00 0.00 C ATOM 1051 O TYR A 72 -7.744 -1.422 -1.724 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.044 1.396 -1.093 1.00 0.00 C ATOM 1053 CG TYR A 72 -10.057 2.517 -1.050 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -11.165 2.446 -0.215 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -9.907 3.646 -1.846 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -12.094 3.468 -0.173 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -10.831 4.673 -1.810 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.922 4.579 -0.972 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.845 5.599 -0.934 1.00 0.00 O ATOM 0 H TYR A 72 -10.095 -1.103 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.849 0.699 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.929 0.983 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.076 1.804 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -11.303 1.577 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.054 3.722 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -12.950 3.397 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.699 5.544 -2.435 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.660 5.321 -1.402 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.589 -0.171 -3.587 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.390 -0.845 -4.072 1.00 0.00 C ATOM 1071 C ASN A 73 -5.164 0.051 -3.921 1.00 0.00 C ATOM 1072 O ASN A 73 -4.964 0.982 -4.701 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.564 -1.249 -5.537 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.325 -1.915 -6.104 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -5.021 -3.064 -5.781 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -4.602 -1.194 -6.954 1.00 0.00 N ATOM 0 H ASN A 73 -7.929 0.574 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.239 -1.742 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.411 -1.929 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.801 -0.365 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.757 -1.589 -7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.892 -0.246 -7.193 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.347 -0.237 -2.914 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.140 0.540 -2.663 1.00 0.00 C ATOM 1085 C ALA A 74 -1.933 -0.081 -3.357 1.00 0.00 C ATOM 1086 O ALA A 74 -1.877 -1.294 -3.560 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.888 0.656 -1.166 1.00 0.00 C ATOM 0 H ALA A 74 -4.499 -1.003 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.289 1.538 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.983 1.239 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.735 1.152 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.765 -0.340 -0.740 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.969 0.759 -3.721 1.00 0.00 N ATOM 1094 CA ARG A 75 0.237 0.292 -4.395 1.00 0.00 C ATOM 1095 C ARG A 75 1.469 1.027 -3.877 1.00 0.00 C ATOM 1096 O ARG A 75 1.538 2.256 -3.925 1.00 0.00 O ATOM 1097 CB ARG A 75 0.110 0.490 -5.907 1.00 0.00 C ATOM 1098 CG ARG A 75 0.887 -0.532 -6.722 1.00 0.00 C ATOM 1099 CD ARG A 75 0.858 -0.199 -8.206 1.00 0.00 C ATOM 1100 NE ARG A 75 -0.421 -0.547 -8.819 1.00 0.00 N ATOM 1101 CZ ARG A 75 -0.675 -0.412 -10.116 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.258 0.061 -10.932 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -1.863 -0.751 -10.600 1.00 0.00 N ATOM 0 H ARG A 75 -1.000 1.766 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 75 0.354 -0.771 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.943 0.439 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.460 1.490 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.920 -0.566 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.464 -1.524 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.048 0.866 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.661 -0.734 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.160 -0.914 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.173 0.322 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.061 0.164 -11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.583 -1.116 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.057 -0.647 -11.596 1.00 0.00 H new ATOM 1117 N LEU A 76 2.439 0.268 -3.381 1.00 0.00 N ATOM 1118 CA LEU A 76 3.670 0.847 -2.853 1.00 0.00 C ATOM 1119 C LEU A 76 4.824 0.660 -3.832 1.00 0.00 C ATOM 1120 O LEU A 76 5.354 -0.441 -3.979 1.00 0.00 O ATOM 1121 CB LEU A 76 4.020 0.209 -1.507 1.00 0.00 C ATOM 1122 CG LEU A 76 5.208 0.820 -0.764 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.839 2.181 -0.194 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.682 -0.112 0.342 1.00 0.00 C ATOM 0 H LEU A 76 2.398 -0.750 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 76 3.508 1.916 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.144 0.268 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.225 -0.849 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 76 6.025 0.955 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.697 2.600 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.548 2.849 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.007 2.071 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.528 0.339 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.870 -0.279 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.988 -1.065 -0.091 1.00 0.00 H new ATOM 1136 N GLN A 77 5.209 1.744 -4.498 1.00 0.00 N ATOM 1137 CA GLN A 77 6.302 1.699 -5.463 1.00 0.00 C ATOM 1138 C GLN A 77 7.410 2.673 -5.076 1.00 0.00 C ATOM 1139 O GLN A 77 7.186 3.880 -4.988 1.00 0.00 O ATOM 1140 CB GLN A 77 5.786 2.027 -6.865 1.00 0.00 C ATOM 1141 CG GLN A 77 6.656 1.467 -7.979 1.00 0.00 C ATOM 1142 CD GLN A 77 6.609 2.312 -9.237 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.356 3.516 -9.181 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.853 1.685 -10.382 1.00 0.00 N ATOM 0 H GLN A 77 4.781 2.663 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 77 6.713 0.690 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.775 1.634 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.721 3.109 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.686 1.398 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.331 0.454 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.058 0.686 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.835 2.203 -11.261 1.00 0.00 H new ATOM 1153 N ALA A 78 8.605 2.141 -4.844 1.00 0.00 N ATOM 1154 CA ALA A 78 9.748 2.963 -4.468 1.00 0.00 C ATOM 1155 C ALA A 78 10.584 3.332 -5.689 1.00 0.00 C ATOM 1156 O ALA A 78 10.668 2.567 -6.649 1.00 0.00 O ATOM 1157 CB ALA A 78 10.604 2.238 -3.439 1.00 0.00 C ATOM 0 H ALA A 78 8.807 1.143 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 78 9.371 3.885 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.454 2.864 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.007 2.031 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.964 1.300 -3.861 1.00 0.00 H new ATOM 1163 N MET A 79 11.201 4.509 -5.644 1.00 0.00 N ATOM 1164 CA MET A 79 12.031 4.978 -6.747 1.00 0.00 C ATOM 1165 C MET A 79 13.489 4.583 -6.537 1.00 0.00 C ATOM 1166 O MET A 79 14.143 5.060 -5.610 1.00 0.00 O ATOM 1167 CB MET A 79 11.918 6.497 -6.888 1.00 0.00 C ATOM 1168 CG MET A 79 10.488 7.010 -6.812 1.00 0.00 C ATOM 1169 SD MET A 79 10.370 8.784 -7.112 1.00 0.00 S ATOM 1170 CE MET A 79 9.714 9.349 -5.544 1.00 0.00 C ATOM 0 H MET A 79 11.142 5.154 -4.856 1.00 0.00 H new ATOM 0 HA MET A 79 11.674 4.507 -7.663 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.508 6.971 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.353 6.799 -7.841 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.877 6.480 -7.543 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.077 6.784 -5.828 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.033 10.376 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.625 9.306 -5.569 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.084 8.709 -4.743 1.00 0.00 H new ATOM 1180 N TRP A 80 13.991 3.710 -7.402 1.00 0.00 N ATOM 1181 CA TRP A 80 15.372 3.250 -7.310 1.00 0.00 C ATOM 1182 C TRP A 80 16.196 3.761 -8.487 1.00 0.00 C ATOM 1183 O TRP A 80 15.650 4.106 -9.535 1.00 0.00 O ATOM 1184 CB TRP A 80 15.421 1.722 -7.263 1.00 0.00 C ATOM 1185 CG TRP A 80 15.284 1.166 -5.878 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.278 1.012 -4.954 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.084 0.688 -5.261 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.768 0.468 -3.800 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.424 0.261 -3.963 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.754 0.582 -5.678 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.483 -0.265 -3.082 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.821 0.060 -4.803 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.188 -0.358 -3.516 1.00 0.00 C ATOM 0 H TRP A 80 13.463 3.306 -8.175 1.00 0.00 H new ATOM 0 HA TRP A 80 15.800 3.649 -6.390 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.624 1.321 -7.889 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.364 1.382 -7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.313 1.279 -5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.303 0.253 -2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.461 0.903 -6.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.765 -0.588 -2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.791 -0.028 -5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.435 -0.761 -2.855 1.00 0.00 H new ATOM 1204 N GLY A 81 17.512 3.807 -8.308 1.00 0.00 N ATOM 1205 CA GLY A 81 18.389 4.278 -9.364 1.00 0.00 C ATOM 1206 C GLY A 81 17.906 3.871 -10.742 1.00 0.00 C ATOM 1207 O GLY A 81 17.931 2.692 -11.092 1.00 0.00 O ATOM 0 H GLY A 81 17.987 3.526 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.462 5.364 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.392 3.883 -9.202 1.00 0.00 H new ATOM 1211 N GLN A 82 17.464 4.850 -11.526 1.00 0.00 N ATOM 1212 CA GLN A 82 16.971 4.587 -12.872 1.00 0.00 C ATOM 1213 C GLN A 82 16.256 3.241 -12.937 1.00 0.00 C ATOM 1214 O GLN A 82 16.465 2.460 -13.865 1.00 0.00 O ATOM 1215 CB GLN A 82 18.126 4.612 -13.875 1.00 0.00 C ATOM 1216 CG GLN A 82 18.532 6.014 -14.301 1.00 0.00 C ATOM 1217 CD GLN A 82 17.575 6.617 -15.310 1.00 0.00 C ATOM 1218 OE1 GLN A 82 17.500 6.171 -16.455 1.00 0.00 O ATOM 1219 NE2 GLN A 82 16.836 7.638 -14.890 1.00 0.00 N ATOM 0 H GLN A 82 17.438 5.832 -11.251 1.00 0.00 H new ATOM 0 HA GLN A 82 16.258 5.370 -13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.988 4.111 -13.436 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.841 4.041 -14.759 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.580 6.657 -13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.534 5.984 -14.729 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.930 7.976 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.174 8.084 -15.525 1.00 0.00 H new ATOM 1228 N SER A 83 15.412 2.977 -11.944 1.00 0.00 N ATOM 1229 CA SER A 83 14.669 1.724 -11.886 1.00 0.00 C ATOM 1230 C SER A 83 13.421 1.872 -11.022 1.00 0.00 C ATOM 1231 O SER A 83 13.373 2.707 -10.117 1.00 0.00 O ATOM 1232 CB SER A 83 15.555 0.606 -11.334 1.00 0.00 C ATOM 1233 OG SER A 83 16.656 0.358 -12.191 1.00 0.00 O ATOM 0 H SER A 83 15.226 3.614 -11.169 1.00 0.00 H new ATOM 0 HA SER A 83 14.360 1.467 -12.899 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.916 0.880 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.967 -0.305 -11.219 1.00 0.00 H new ATOM 0 HG SER A 83 16.550 0.873 -13.018 1.00 0.00 H new ATOM 1239 N LEU A 84 12.411 1.057 -11.307 1.00 0.00 N ATOM 1240 CA LEU A 84 11.161 1.096 -10.556 1.00 0.00 C ATOM 1241 C LEU A 84 10.751 -0.303 -10.108 1.00 0.00 C ATOM 1242 O LEU A 84 9.816 -0.892 -10.653 1.00 0.00 O ATOM 1243 CB LEU A 84 10.052 1.718 -11.407 1.00 0.00 C ATOM 1244 CG LEU A 84 10.271 3.168 -11.840 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.174 3.610 -12.797 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.325 4.085 -10.627 1.00 0.00 C ATOM 0 H LEU A 84 12.433 0.361 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 84 11.317 1.710 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.923 1.108 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.118 1.664 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 84 11.227 3.232 -12.360 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.346 4.644 -13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.183 2.972 -13.681 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.206 3.531 -12.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.481 5.113 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.386 4.018 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.147 3.782 -9.978 1.00 0.00 H new ATOM 1258 N LEU A 85 11.453 -0.829 -9.112 1.00 0.00 N ATOM 1259 CA LEU A 85 11.161 -2.159 -8.588 1.00 0.00 C ATOM 1260 C LEU A 85 9.659 -2.423 -8.579 1.00 0.00 C ATOM 1261 O LEU A 85 8.843 -1.504 -8.498 1.00 0.00 O ATOM 1262 CB LEU A 85 11.725 -2.307 -7.174 1.00 0.00 C ATOM 1263 CG LEU A 85 13.240 -2.158 -7.036 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.667 -2.352 -5.589 1.00 0.00 C ATOM 1265 CD2 LEU A 85 13.958 -3.148 -7.943 1.00 0.00 C ATOM 0 H LEU A 85 12.229 -0.355 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 85 11.636 -2.892 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.247 -1.565 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.440 -3.287 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 85 13.515 -1.149 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.749 -2.242 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.180 -1.604 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.378 -3.349 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.036 -3.028 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.676 -4.164 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.677 -2.962 -8.980 1.00 0.00 H new ATOM 1277 N PRO A 86 9.283 -3.707 -8.663 1.00 0.00 N ATOM 1278 CA PRO A 86 7.877 -4.122 -8.663 1.00 0.00 C ATOM 1279 C PRO A 86 7.210 -3.913 -7.308 1.00 0.00 C ATOM 1280 O PRO A 86 7.568 -4.539 -6.310 1.00 0.00 O ATOM 1281 CB PRO A 86 7.947 -5.614 -9.000 1.00 0.00 C ATOM 1282 CG PRO A 86 9.302 -6.040 -8.550 1.00 0.00 C ATOM 1283 CD PRO A 86 10.201 -4.854 -8.762 1.00 0.00 C ATOM 0 HA PRO A 86 7.281 -3.540 -9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.165 -6.173 -8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.812 -5.786 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.289 -6.337 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.650 -6.901 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.987 -4.806 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.693 -4.892 -9.734 1.00 0.00 H new ATOM 1291 N PRO A 87 6.216 -3.013 -7.269 1.00 0.00 N ATOM 1292 CA PRO A 87 5.478 -2.702 -6.042 1.00 0.00 C ATOM 1293 C PRO A 87 4.584 -3.854 -5.595 1.00 0.00 C ATOM 1294 O PRO A 87 4.557 -4.912 -6.224 1.00 0.00 O ATOM 1295 CB PRO A 87 4.631 -1.489 -6.435 1.00 0.00 C ATOM 1296 CG PRO A 87 4.468 -1.604 -7.912 1.00 0.00 C ATOM 1297 CD PRO A 87 5.737 -2.231 -8.421 1.00 0.00 C ATOM 0 HA PRO A 87 6.146 -2.518 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.666 -1.499 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.125 -0.556 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.602 -2.217 -8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.307 -0.625 -8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.552 -2.865 -9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.464 -1.478 -8.726 1.00 0.00 H new ATOM 1305 N VAL A 88 3.852 -3.641 -4.506 1.00 0.00 N ATOM 1306 CA VAL A 88 2.955 -4.661 -3.976 1.00 0.00 C ATOM 1307 C VAL A 88 1.523 -4.144 -3.892 1.00 0.00 C ATOM 1308 O VAL A 88 1.248 -3.157 -3.211 1.00 0.00 O ATOM 1309 CB VAL A 88 3.403 -5.131 -2.579 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.422 -6.254 -2.694 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.969 -3.966 -1.782 1.00 0.00 C ATOM 0 H VAL A 88 3.863 -2.771 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 88 2.993 -5.505 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 88 2.533 -5.516 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.726 -6.573 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.977 -7.096 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.294 -5.899 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.281 -4.316 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.828 -3.549 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.205 -3.197 -1.669 1.00 0.00 H new ATOM 1321 N SER A 89 0.615 -4.820 -4.589 1.00 0.00 N ATOM 1322 CA SER A 89 -0.790 -4.427 -4.596 1.00 0.00 C ATOM 1323 C SER A 89 -1.597 -5.279 -3.622 1.00 0.00 C ATOM 1324 O SER A 89 -1.568 -6.509 -3.682 1.00 0.00 O ATOM 1325 CB SER A 89 -1.370 -4.556 -6.006 1.00 0.00 C ATOM 1326 OG SER A 89 -1.339 -5.901 -6.449 1.00 0.00 O ATOM 0 H SER A 89 0.826 -5.641 -5.156 1.00 0.00 H new ATOM 0 HA SER A 89 -0.853 -3.386 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.397 -4.190 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.803 -3.930 -6.695 1.00 0.00 H new ATOM 0 HG SER A 89 -1.258 -6.498 -5.676 1.00 0.00 H new ATOM 1332 N THR A 90 -2.318 -4.616 -2.723 1.00 0.00 N ATOM 1333 CA THR A 90 -3.133 -5.311 -1.734 1.00 0.00 C ATOM 1334 C THR A 90 -4.498 -4.649 -1.583 1.00 0.00 C ATOM 1335 O THR A 90 -4.594 -3.431 -1.430 1.00 0.00 O ATOM 1336 CB THR A 90 -2.438 -5.349 -0.360 1.00 0.00 C ATOM 1337 OG1 THR A 90 -2.919 -6.462 0.401 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.687 -4.059 0.407 1.00 0.00 C ATOM 0 H THR A 90 -2.354 -3.599 -2.659 1.00 0.00 H new ATOM 0 HA THR A 90 -3.265 -6.331 -2.094 1.00 0.00 H new ATOM 0 HB THR A 90 -1.365 -5.456 -0.522 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.471 -6.480 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.187 -4.108 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.295 -3.216 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.758 -3.927 0.559 1.00 0.00 H new ATOM 1346 N SER A 91 -5.551 -5.458 -1.627 1.00 0.00 N ATOM 1347 CA SER A 91 -6.912 -4.950 -1.498 1.00 0.00 C ATOM 1348 C SER A 91 -7.370 -4.986 -0.044 1.00 0.00 C ATOM 1349 O SER A 91 -7.259 -6.012 0.628 1.00 0.00 O ATOM 1350 CB SER A 91 -7.869 -5.767 -2.367 1.00 0.00 C ATOM 1351 OG SER A 91 -7.751 -7.152 -2.092 1.00 0.00 O ATOM 0 H SER A 91 -5.488 -6.468 -1.751 1.00 0.00 H new ATOM 0 HA SER A 91 -6.920 -3.914 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.894 -5.443 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.656 -5.583 -3.420 1.00 0.00 H new ATOM 0 HG SER A 91 -7.713 -7.291 -1.123 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.885 -3.860 0.437 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.360 -3.761 1.812 1.00 0.00 C ATOM 1359 C PHE A 92 -9.755 -3.146 1.863 1.00 0.00 C ATOM 1360 O PHE A 92 -10.040 -2.164 1.176 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.390 -2.925 2.650 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.260 -1.505 2.177 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.479 -1.197 1.075 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -7.918 -0.479 2.835 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.357 0.108 0.637 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.800 0.828 2.402 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.018 1.122 1.302 1.00 0.00 C ATOM 0 H PHE A 92 -7.984 -3.002 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.412 -4.768 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.725 -2.925 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.408 -3.397 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.959 -1.986 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.530 -0.703 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.746 0.335 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.319 1.619 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.924 2.143 0.963 1.00 0.00 H new ATOM 1377 N THR A 93 -10.624 -3.730 2.683 1.00 0.00 N ATOM 1378 CA THR A 93 -11.990 -3.242 2.823 1.00 0.00 C ATOM 1379 C THR A 93 -12.153 -2.425 4.100 1.00 0.00 C ATOM 1380 O THR A 93 -11.683 -2.820 5.167 1.00 0.00 O ATOM 1381 CB THR A 93 -13.003 -4.402 2.837 1.00 0.00 C ATOM 1382 OG1 THR A 93 -12.762 -5.275 1.728 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.429 -3.876 2.774 1.00 0.00 C ATOM 0 H THR A 93 -10.405 -4.542 3.260 1.00 0.00 H new ATOM 0 HA THR A 93 -12.189 -2.607 1.960 1.00 0.00 H new ATOM 0 HB THR A 93 -12.877 -4.954 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.409 -6.011 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.127 -4.713 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.619 -3.234 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.565 -3.303 1.857 1.00 0.00 H new ATOM 1391 N THR A 94 -12.823 -1.282 3.985 1.00 0.00 N ATOM 1392 CA THR A 94 -13.048 -0.409 5.130 1.00 0.00 C ATOM 1393 C THR A 94 -14.262 -0.860 5.934 1.00 0.00 C ATOM 1394 O THR A 94 -15.132 -1.563 5.422 1.00 0.00 O ATOM 1395 CB THR A 94 -13.252 1.053 4.690 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.219 1.117 3.636 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.940 1.664 4.219 1.00 0.00 C ATOM 0 H THR A 94 -13.219 -0.940 3.110 1.00 0.00 H new ATOM 0 HA THR A 94 -12.157 -0.471 5.755 1.00 0.00 H new ATOM 0 HB THR A 94 -13.612 1.621 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.132 1.971 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.109 2.697 3.913 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.215 1.640 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.556 1.093 3.374 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.315 -0.449 7.198 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.428 -0.819 8.053 1.00 0.00 C ATOM 1407 C GLY A 95 -16.700 -0.072 7.705 1.00 0.00 C ATOM 1408 O GLY A 95 -16.780 0.581 6.666 1.00 0.00 O ATOM 0 H GLY A 95 -13.607 0.134 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.606 -1.891 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.166 -0.619 9.092 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.699 -0.170 8.577 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.961 0.505 8.338 1.00 0.00 C ATOM 1414 C GLY A 96 -19.261 1.561 9.383 1.00 0.00 C ATOM 1415 O GLY A 96 -18.721 1.521 10.490 1.00 0.00 O ATOM 0 H GLY A 96 -17.657 -0.705 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.940 0.970 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.766 -0.230 8.327 1.00 0.00 H new ATOM 1419 N LEU A 97 -20.122 2.510 9.033 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.492 3.584 9.949 1.00 0.00 C ATOM 1421 C LEU A 97 -21.712 3.196 10.778 1.00 0.00 C ATOM 1422 O LEU A 97 -22.829 3.630 10.496 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.777 4.869 9.171 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.633 5.397 8.305 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.141 6.453 7.335 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.520 5.962 9.176 1.00 0.00 C ATOM 0 H LEU A 97 -20.577 2.558 8.121 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.655 3.755 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.642 4.698 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.056 5.646 9.882 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.228 4.566 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.313 6.817 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.902 6.017 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.573 7.283 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.715 6.333 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.911 6.780 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.136 5.179 9.829 1.00 0.00 H new