USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 806 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 27 LYS NZ :NH3+ 162:sc= 0.685 (180deg=0) USER MOD Set 1.2: A 94 SER OG : rot -100:sc= 0.629 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.392 K(o=0.39,f=-1.8) USER MOD Set 2.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0.116 (180deg=-0.0759) USER MOD Single : A 5 SER OG : rot -149:sc= 1.64 USER MOD Single : A 7 MET CE :methyl -127:sc= -1.05 (180deg=-2.64!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.76 K(o=-2.8,f=-0.41) USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.175 USER MOD Single : A 103 THR OG1 : rot -137:sc= 0.24 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.217 X(o=0.22,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 3.274 -2.165 -2.663 1.00 0.00 N ATOM 19 CA ARG A 2 3.554 -3.544 -3.106 1.00 0.00 C ATOM 20 C ARG A 2 4.983 -3.951 -2.695 1.00 0.00 C ATOM 21 O ARG A 2 5.972 -3.528 -3.307 1.00 0.00 O ATOM 22 CB ARG A 2 3.356 -3.696 -4.636 1.00 0.00 C ATOM 23 CG ARG A 2 3.431 -5.163 -5.129 1.00 0.00 C ATOM 24 CD ARG A 2 3.288 -5.300 -6.655 1.00 0.00 C ATOM 25 NE ARG A 2 3.257 -6.718 -7.075 1.00 0.00 N ATOM 26 CZ ARG A 2 4.266 -7.392 -7.657 1.00 0.00 C ATOM 27 NH1 ARG A 2 5.416 -6.787 -7.954 1.00 0.00 N ATOM 28 NH2 ARG A 2 4.097 -8.666 -7.975 1.00 0.00 N ATOM 0 HA ARG A 2 2.844 -4.211 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.388 -3.278 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.115 -3.109 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.383 -5.595 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.646 -5.743 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.374 -4.804 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.119 -4.793 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 2 2.392 -7.232 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.542 -5.798 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.170 -7.313 -8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.209 -9.127 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.855 -9.186 -8.416 1.00 0.00 H new ATOM 42 N LEU A 3 5.065 -4.746 -1.627 1.00 0.00 N ATOM 43 CA LEU A 3 6.330 -5.258 -1.057 1.00 0.00 C ATOM 44 C LEU A 3 6.154 -6.734 -0.648 1.00 0.00 C ATOM 45 O LEU A 3 5.036 -7.269 -0.724 1.00 0.00 O ATOM 46 CB LEU A 3 6.803 -4.350 0.144 1.00 0.00 C ATOM 47 CG LEU A 3 5.693 -3.548 0.912 1.00 0.00 C ATOM 48 CD1 LEU A 3 4.700 -4.477 1.616 1.00 0.00 C ATOM 49 CD2 LEU A 3 6.296 -2.531 1.911 1.00 0.00 C ATOM 0 H LEU A 3 4.241 -5.064 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 3 7.117 -5.216 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.322 -4.983 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.533 -3.637 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 3 5.144 -2.984 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.949 -3.881 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.212 -5.114 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.231 -5.099 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.491 -1.999 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.903 -3.059 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.919 -1.817 1.372 1.00 0.00 H new ATOM 61 N LYS A 4 7.255 -7.390 -0.214 1.00 0.00 N ATOM 62 CA LYS A 4 7.236 -8.830 0.130 1.00 0.00 C ATOM 63 C LYS A 4 6.489 -9.061 1.467 1.00 0.00 C ATOM 64 O LYS A 4 6.193 -8.105 2.189 1.00 0.00 O ATOM 65 CB LYS A 4 8.691 -9.421 0.173 1.00 0.00 C ATOM 66 CG LYS A 4 9.457 -9.247 1.505 1.00 0.00 C ATOM 67 CD LYS A 4 10.826 -9.982 1.528 1.00 0.00 C ATOM 68 CE LYS A 4 11.929 -9.251 0.757 1.00 0.00 C ATOM 69 NZ LYS A 4 12.298 -7.965 1.409 1.00 0.00 N ATOM 0 H LYS A 4 8.165 -6.946 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 4 6.693 -9.361 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.636 -10.486 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.274 -8.955 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.620 -8.185 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.839 -9.619 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.142 -10.111 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.700 -10.979 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.809 -9.890 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.594 -9.059 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.209 -7.634 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.564 -7.254 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.379 -8.107 2.436 1.00 0.00 H new ATOM 83 N SER A 5 6.208 -10.336 1.780 1.00 0.00 N ATOM 84 CA SER A 5 5.462 -10.751 2.995 1.00 0.00 C ATOM 85 C SER A 5 6.172 -10.292 4.292 1.00 0.00 C ATOM 86 O SER A 5 5.542 -9.749 5.203 1.00 0.00 O ATOM 87 CB SER A 5 5.317 -12.286 2.974 1.00 0.00 C ATOM 88 OG SER A 5 4.746 -12.708 1.758 1.00 0.00 O ATOM 0 H SER A 5 6.492 -11.122 1.195 1.00 0.00 H new ATOM 0 HA SER A 5 4.481 -10.276 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.294 -12.752 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.694 -12.610 3.808 1.00 0.00 H new ATOM 0 HG SER A 5 4.223 -13.523 1.908 1.00 0.00 H new ATOM 94 N GLU A 6 7.495 -10.500 4.320 1.00 0.00 N ATOM 95 CA GLU A 6 8.382 -10.105 5.436 1.00 0.00 C ATOM 96 C GLU A 6 8.403 -8.578 5.615 1.00 0.00 C ATOM 97 O GLU A 6 8.410 -8.067 6.740 1.00 0.00 O ATOM 98 CB GLU A 6 9.797 -10.695 5.148 1.00 0.00 C ATOM 99 CG GLU A 6 10.983 -10.206 6.025 1.00 0.00 C ATOM 100 CD GLU A 6 11.689 -8.943 5.477 1.00 0.00 C ATOM 101 OE1 GLU A 6 12.374 -9.042 4.436 1.00 0.00 O ATOM 102 OE2 GLU A 6 11.566 -7.856 6.081 1.00 0.00 O ATOM 0 H GLU A 6 7.994 -10.956 3.556 1.00 0.00 H new ATOM 0 HA GLU A 6 8.013 -10.504 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.733 -11.779 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.042 -10.483 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.617 -9.998 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.714 -11.010 6.112 1.00 0.00 H new ATOM 109 N MET A 7 8.409 -7.857 4.490 1.00 0.00 N ATOM 110 CA MET A 7 8.428 -6.387 4.489 1.00 0.00 C ATOM 111 C MET A 7 7.023 -5.830 4.813 1.00 0.00 C ATOM 112 O MET A 7 6.901 -4.715 5.315 1.00 0.00 O ATOM 113 CB MET A 7 8.960 -5.852 3.131 1.00 0.00 C ATOM 114 CG MET A 7 9.263 -4.337 3.061 1.00 0.00 C ATOM 115 SD MET A 7 10.651 -3.800 4.103 1.00 0.00 S ATOM 116 CE MET A 7 9.872 -3.365 5.658 1.00 0.00 C ATOM 0 H MET A 7 8.401 -8.271 3.558 1.00 0.00 H new ATOM 0 HA MET A 7 9.108 -6.041 5.268 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.872 -6.395 2.883 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.228 -6.090 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.477 -4.069 2.026 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.370 -3.786 3.355 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.167 -2.355 5.943 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.789 -3.409 5.547 1.00 0.00 H new ATOM 0 HE3 MET A 7 10.186 -4.066 6.431 1.00 0.00 H new ATOM 126 N PHE A 8 5.963 -6.635 4.556 1.00 0.00 N ATOM 127 CA PHE A 8 4.566 -6.223 4.817 1.00 0.00 C ATOM 128 C PHE A 8 4.274 -6.304 6.316 1.00 0.00 C ATOM 129 O PHE A 8 3.652 -5.395 6.869 1.00 0.00 O ATOM 130 CB PHE A 8 3.539 -7.085 4.012 1.00 0.00 C ATOM 131 CG PHE A 8 2.101 -6.527 4.047 1.00 0.00 C ATOM 132 CD1 PHE A 8 1.206 -6.872 5.064 1.00 0.00 C ATOM 133 CD2 PHE A 8 1.655 -5.631 3.069 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.072 -6.336 5.101 1.00 0.00 C ATOM 135 CE2 PHE A 8 0.379 -5.097 3.112 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.486 -5.453 4.124 1.00 0.00 C ATOM 0 H PHE A 8 6.052 -7.574 4.168 1.00 0.00 H new ATOM 0 HA PHE A 8 4.453 -5.193 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.868 -7.153 2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.536 -8.099 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.515 -7.566 5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.319 -5.351 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.747 -6.611 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.061 -4.400 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.485 -5.043 4.153 1.00 0.00 H new ATOM 146 N VAL A 9 4.730 -7.401 6.966 1.00 0.00 N ATOM 147 CA VAL A 9 4.536 -7.598 8.419 1.00 0.00 C ATOM 148 C VAL A 9 5.325 -6.548 9.209 1.00 0.00 C ATOM 149 O VAL A 9 4.804 -5.977 10.164 1.00 0.00 O ATOM 150 CB VAL A 9 4.917 -9.049 8.916 1.00 0.00 C ATOM 151 CG1 VAL A 9 4.027 -10.108 8.250 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.409 -9.383 8.712 1.00 0.00 C ATOM 0 H VAL A 9 5.233 -8.160 6.507 1.00 0.00 H new ATOM 0 HA VAL A 9 3.468 -7.478 8.603 1.00 0.00 H new ATOM 0 HB VAL A 9 4.738 -9.063 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.309 -11.098 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.984 -9.915 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.156 -10.064 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.609 -10.392 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.654 -9.321 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.020 -8.672 9.267 1.00 0.00 H new ATOM 162 N SER A 10 6.566 -6.276 8.758 1.00 0.00 N ATOM 163 CA SER A 10 7.444 -5.273 9.374 1.00 0.00 C ATOM 164 C SER A 10 6.796 -3.880 9.265 1.00 0.00 C ATOM 165 O SER A 10 6.664 -3.175 10.265 1.00 0.00 O ATOM 166 CB SER A 10 8.834 -5.300 8.699 1.00 0.00 C ATOM 167 OG SER A 10 9.756 -4.426 9.334 1.00 0.00 O ATOM 0 H SER A 10 6.984 -6.748 7.956 1.00 0.00 H new ATOM 0 HA SER A 10 7.580 -5.505 10.430 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.226 -6.317 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.732 -5.019 7.651 1.00 0.00 H new ATOM 0 HG SER A 10 10.622 -4.475 8.877 1.00 0.00 H new ATOM 173 N ALA A 11 6.334 -3.538 8.048 1.00 0.00 N ATOM 174 CA ALA A 11 5.634 -2.263 7.776 1.00 0.00 C ATOM 175 C ALA A 11 4.351 -2.140 8.620 1.00 0.00 C ATOM 176 O ALA A 11 4.053 -1.067 9.139 1.00 0.00 O ATOM 177 CB ALA A 11 5.301 -2.128 6.280 1.00 0.00 C ATOM 0 H ALA A 11 6.434 -4.134 7.226 1.00 0.00 H new ATOM 0 HA ALA A 11 6.307 -1.453 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.787 -1.183 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.223 -2.153 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.657 -2.953 5.975 1.00 0.00 H new ATOM 183 N LEU A 12 3.644 -3.279 8.787 1.00 0.00 N ATOM 184 CA LEU A 12 2.345 -3.355 9.500 1.00 0.00 C ATOM 185 C LEU A 12 2.531 -2.987 10.977 1.00 0.00 C ATOM 186 O LEU A 12 1.701 -2.296 11.573 1.00 0.00 O ATOM 187 CB LEU A 12 1.731 -4.783 9.328 1.00 0.00 C ATOM 188 CG LEU A 12 0.168 -4.918 9.434 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.308 -6.255 8.831 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.351 -4.768 10.883 1.00 0.00 C ATOM 0 H LEU A 12 3.959 -4.180 8.429 1.00 0.00 H new ATOM 0 HA LEU A 12 1.647 -2.637 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.036 -5.166 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.177 -5.434 10.080 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.253 -4.094 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.392 -6.327 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.022 -6.303 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.153 -7.082 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.436 -4.870 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.092 -5.541 11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.076 -3.786 11.268 1.00 0.00 H new ATOM 202 N ILE A 13 3.649 -3.439 11.537 1.00 0.00 N ATOM 203 CA ILE A 13 4.039 -3.145 12.918 1.00 0.00 C ATOM 204 C ILE A 13 4.281 -1.630 13.102 1.00 0.00 C ATOM 205 O ILE A 13 3.800 -1.030 14.057 1.00 0.00 O ATOM 206 CB ILE A 13 5.300 -4.010 13.287 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.909 -5.530 13.234 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.899 -3.624 14.662 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.057 -6.504 13.234 1.00 0.00 C ATOM 0 H ILE A 13 4.319 -4.027 11.042 1.00 0.00 H new ATOM 0 HA ILE A 13 3.234 -3.412 13.603 1.00 0.00 H new ATOM 0 HB ILE A 13 6.083 -3.811 12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.270 -5.751 14.089 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.313 -5.701 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.767 -4.250 14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.202 -2.577 14.646 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.150 -3.773 15.440 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.670 -7.522 13.195 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.688 -6.322 12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.645 -6.373 14.142 1.00 0.00 H new ATOM 221 N ARG A 14 4.954 -0.998 12.128 1.00 0.00 N ATOM 222 CA ARG A 14 5.236 0.460 12.176 1.00 0.00 C ATOM 223 C ARG A 14 3.944 1.274 11.916 1.00 0.00 C ATOM 224 O ARG A 14 3.853 2.430 12.340 1.00 0.00 O ATOM 225 CB ARG A 14 6.392 0.866 11.203 1.00 0.00 C ATOM 226 CG ARG A 14 7.829 0.498 11.689 1.00 0.00 C ATOM 227 CD ARG A 14 8.017 -1.009 11.883 1.00 0.00 C ATOM 228 NE ARG A 14 9.328 -1.392 12.417 1.00 0.00 N ATOM 229 CZ ARG A 14 9.730 -2.663 12.599 1.00 0.00 C ATOM 230 NH1 ARG A 14 8.944 -3.685 12.253 1.00 0.00 N ATOM 231 NH2 ARG A 14 10.920 -2.909 13.120 1.00 0.00 N ATOM 0 H ARG A 14 5.316 -1.465 11.296 1.00 0.00 H new ATOM 0 HA ARG A 14 5.584 0.700 13.181 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.218 0.388 10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.346 1.943 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.558 0.861 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.033 1.010 12.630 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.243 -1.376 12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.869 -1.508 10.925 1.00 0.00 H new ATOM 0 HE ARG A 14 9.977 -0.646 12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.026 -3.507 11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.261 -4.644 12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.531 -2.136 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.227 -3.872 13.259 1.00 0.00 H new ATOM 245 N ARG A 15 2.957 0.658 11.215 1.00 0.00 N ATOM 246 CA ARG A 15 1.609 1.242 11.035 1.00 0.00 C ATOM 247 C ARG A 15 0.878 1.345 12.390 1.00 0.00 C ATOM 248 O ARG A 15 0.339 2.406 12.731 1.00 0.00 O ATOM 249 CB ARG A 15 0.737 0.396 10.057 1.00 0.00 C ATOM 250 CG ARG A 15 1.255 0.301 8.606 1.00 0.00 C ATOM 251 CD ARG A 15 0.386 -0.634 7.729 1.00 0.00 C ATOM 252 NE ARG A 15 0.973 -0.835 6.386 1.00 0.00 N ATOM 253 CZ ARG A 15 1.130 -2.023 5.768 1.00 0.00 C ATOM 254 NH1 ARG A 15 0.774 -3.159 6.365 1.00 0.00 N ATOM 255 NH2 ARG A 15 1.645 -2.062 4.550 1.00 0.00 N ATOM 0 H ARG A 15 3.075 -0.249 10.764 1.00 0.00 H new ATOM 0 HA ARG A 15 1.748 2.236 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.650 -0.614 10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.267 0.819 10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.273 1.297 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.282 -0.063 8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.276 -1.598 8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.614 -0.212 7.629 1.00 0.00 H new ATOM 0 HE ARG A 15 1.286 -0.004 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.376 -3.139 7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.900 -4.049 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.920 -1.197 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.767 -2.957 4.076 1.00 0.00 H new ATOM 269 N VAL A 16 0.867 0.231 13.158 1.00 0.00 N ATOM 270 CA VAL A 16 0.102 0.160 14.419 1.00 0.00 C ATOM 271 C VAL A 16 0.715 1.075 15.496 1.00 0.00 C ATOM 272 O VAL A 16 -0.013 1.745 16.214 1.00 0.00 O ATOM 273 CB VAL A 16 -0.072 -1.307 14.987 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.580 -2.293 13.913 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.205 -1.834 15.645 1.00 0.00 C ATOM 0 H VAL A 16 1.375 -0.623 12.927 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.898 0.513 14.166 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.836 -1.237 15.762 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.683 -3.286 14.351 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.548 -1.958 13.540 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.132 -2.332 13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.032 -2.844 16.018 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.012 -1.851 14.912 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.482 -1.183 16.474 1.00 0.00 H new ATOM 285 N PHE A 17 2.060 1.110 15.579 1.00 0.00 N ATOM 286 CA PHE A 17 2.786 1.966 16.540 1.00 0.00 C ATOM 287 C PHE A 17 2.645 3.456 16.158 1.00 0.00 C ATOM 288 O PHE A 17 2.656 4.326 17.036 1.00 0.00 O ATOM 289 CB PHE A 17 4.272 1.521 16.679 1.00 0.00 C ATOM 290 CG PHE A 17 4.469 0.279 17.568 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.587 0.407 18.952 1.00 0.00 C ATOM 292 CD2 PHE A 17 4.523 -1.007 17.031 1.00 0.00 C ATOM 293 CE1 PHE A 17 4.745 -0.706 19.762 1.00 0.00 C ATOM 294 CE2 PHE A 17 4.677 -2.117 17.843 1.00 0.00 C ATOM 295 CZ PHE A 17 4.792 -1.964 19.205 1.00 0.00 C ATOM 0 H PHE A 17 2.671 0.549 14.985 1.00 0.00 H new ATOM 0 HA PHE A 17 2.334 1.845 17.524 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.674 1.314 15.687 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.852 2.347 17.091 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.555 1.389 19.399 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.443 -1.139 15.962 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.831 -0.586 20.832 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.707 -3.105 17.407 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.919 -2.830 19.837 1.00 0.00 H new ATOM 305 N ALA A 18 2.476 3.736 14.846 1.00 0.00 N ATOM 306 CA ALA A 18 2.136 5.092 14.352 1.00 0.00 C ATOM 307 C ALA A 18 0.714 5.511 14.800 1.00 0.00 C ATOM 308 O ALA A 18 0.422 6.704 14.914 1.00 0.00 O ATOM 309 CB ALA A 18 2.266 5.159 12.819 1.00 0.00 C ATOM 0 H ALA A 18 2.570 3.039 14.107 1.00 0.00 H new ATOM 0 HA ALA A 18 2.844 5.796 14.789 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.012 6.162 12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.291 4.925 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.587 4.437 12.364 1.00 0.00 H new ATOM 315 N ALA A 19 -0.169 4.517 15.031 1.00 0.00 N ATOM 316 CA ALA A 19 -1.546 4.746 15.551 1.00 0.00 C ATOM 317 C ALA A 19 -1.608 4.609 17.095 1.00 0.00 C ATOM 318 O ALA A 19 -2.633 4.940 17.711 1.00 0.00 O ATOM 319 CB ALA A 19 -2.530 3.771 14.879 1.00 0.00 C ATOM 0 H ALA A 19 0.045 3.534 14.865 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.833 5.769 15.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.535 3.945 15.264 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.522 3.932 13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.231 2.745 15.095 1.00 0.00 H new ATOM 325 N GLY A 20 -0.511 4.102 17.703 1.00 0.00 N ATOM 326 CA GLY A 20 -0.381 3.993 19.168 1.00 0.00 C ATOM 327 C GLY A 20 -0.690 2.604 19.733 1.00 0.00 C ATOM 328 O GLY A 20 -0.716 2.432 20.954 1.00 0.00 O ATOM 0 H GLY A 20 0.303 3.760 17.192 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.635 4.268 19.451 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.049 4.717 19.634 1.00 0.00 H new ATOM 332 N GLY A 21 -0.943 1.625 18.849 1.00 0.00 N ATOM 333 CA GLY A 21 -1.152 0.226 19.242 1.00 0.00 C ATOM 334 C GLY A 21 0.142 -0.596 19.279 1.00 0.00 C ATOM 335 O GLY A 21 1.237 -0.059 19.068 1.00 0.00 O ATOM 0 H GLY A 21 -1.008 1.783 17.843 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.619 0.199 20.226 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.849 -0.239 18.545 1.00 0.00 H new ATOM 339 N PHE A 22 -0.001 -1.914 19.518 1.00 0.00 N ATOM 340 CA PHE A 22 1.131 -2.867 19.685 1.00 0.00 C ATOM 341 C PHE A 22 1.156 -3.862 18.508 1.00 0.00 C ATOM 342 O PHE A 22 0.144 -4.026 17.831 1.00 0.00 O ATOM 343 CB PHE A 22 0.988 -3.630 21.039 1.00 0.00 C ATOM 344 CG PHE A 22 2.097 -4.658 21.320 1.00 0.00 C ATOM 345 CD1 PHE A 22 3.360 -4.250 21.747 1.00 0.00 C ATOM 346 CD2 PHE A 22 1.883 -6.029 21.130 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.365 -5.171 21.977 1.00 0.00 C ATOM 348 CE2 PHE A 22 2.891 -6.948 21.362 1.00 0.00 C ATOM 349 CZ PHE A 22 4.131 -6.519 21.785 1.00 0.00 C ATOM 0 H PHE A 22 -0.915 -2.360 19.603 1.00 0.00 H new ATOM 0 HA PHE A 22 2.069 -2.312 19.694 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.973 -2.902 21.850 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.026 -4.142 21.052 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.556 -3.199 21.900 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.915 -6.375 20.797 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.337 -4.835 22.308 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.706 -8.001 21.212 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.918 -7.236 21.966 1.00 0.00 H new ATOM 359 N ALA A 23 2.327 -4.500 18.264 1.00 0.00 N ATOM 360 CA ALA A 23 2.480 -5.572 17.257 1.00 0.00 C ATOM 361 C ALA A 23 3.726 -6.426 17.532 1.00 0.00 C ATOM 362 O ALA A 23 4.699 -5.943 18.135 1.00 0.00 O ATOM 363 CB ALA A 23 2.547 -5.002 15.844 1.00 0.00 C ATOM 0 H ALA A 23 3.191 -4.284 18.762 1.00 0.00 H new ATOM 0 HA ALA A 23 1.598 -6.208 17.335 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.660 -5.816 15.128 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.630 -4.454 15.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.400 -4.328 15.764 1.00 0.00 H new ATOM 369 N ALA A 24 3.678 -7.693 17.054 1.00 0.00 N ATOM 370 CA ALA A 24 4.779 -8.659 17.189 1.00 0.00 C ATOM 371 C ALA A 24 4.528 -9.877 16.278 1.00 0.00 C ATOM 372 O ALA A 24 3.471 -10.499 16.359 1.00 0.00 O ATOM 373 CB ALA A 24 4.930 -9.089 18.658 1.00 0.00 C ATOM 0 H ALA A 24 2.867 -8.069 16.562 1.00 0.00 H new ATOM 0 HA ALA A 24 5.710 -8.186 16.877 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.748 -9.804 18.746 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.145 -8.215 19.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.004 -9.553 18.998 1.00 0.00 H new ATOM 379 N VAL A 25 5.490 -10.187 15.386 1.00 0.00 N ATOM 380 CA VAL A 25 5.421 -11.365 14.498 1.00 0.00 C ATOM 381 C VAL A 25 5.581 -12.667 15.321 1.00 0.00 C ATOM 382 O VAL A 25 6.689 -13.000 15.771 1.00 0.00 O ATOM 383 CB VAL A 25 6.518 -11.317 13.360 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.438 -12.545 12.416 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.438 -10.003 12.552 1.00 0.00 C ATOM 0 H VAL A 25 6.335 -9.629 15.261 1.00 0.00 H new ATOM 0 HA VAL A 25 4.442 -11.350 14.019 1.00 0.00 H new ATOM 0 HB VAL A 25 7.486 -11.352 13.860 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.211 -12.467 11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.589 -13.458 12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.458 -12.575 11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.206 -10.004 11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.455 -9.921 12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.596 -9.156 13.219 1.00 0.00 H new ATOM 395 N GLU A 26 4.457 -13.364 15.542 1.00 0.00 N ATOM 396 CA GLU A 26 4.419 -14.680 16.200 1.00 0.00 C ATOM 397 C GLU A 26 5.155 -15.733 15.345 1.00 0.00 C ATOM 398 O GLU A 26 6.210 -16.250 15.732 1.00 0.00 O ATOM 399 CB GLU A 26 2.948 -15.123 16.396 1.00 0.00 C ATOM 400 CG GLU A 26 2.057 -14.117 17.136 1.00 0.00 C ATOM 401 CD GLU A 26 0.577 -14.534 17.155 1.00 0.00 C ATOM 402 OE1 GLU A 26 0.262 -15.604 17.723 1.00 0.00 O ATOM 403 OE2 GLU A 26 -0.267 -13.817 16.580 1.00 0.00 O ATOM 0 H GLU A 26 3.535 -13.026 15.265 1.00 0.00 H new ATOM 0 HA GLU A 26 4.914 -14.598 17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.511 -15.320 15.417 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.939 -16.065 16.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.412 -14.009 18.161 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.148 -13.140 16.662 1.00 0.00 H new ATOM 410 N LYS A 27 4.570 -16.028 14.168 1.00 0.00 N ATOM 411 CA LYS A 27 5.054 -17.071 13.249 1.00 0.00 C ATOM 412 C LYS A 27 5.679 -16.443 12.002 1.00 0.00 C ATOM 413 O LYS A 27 5.213 -15.412 11.506 1.00 0.00 O ATOM 414 CB LYS A 27 3.882 -18.009 12.851 1.00 0.00 C ATOM 415 CG LYS A 27 4.229 -19.081 11.788 1.00 0.00 C ATOM 416 CD LYS A 27 3.055 -20.037 11.472 1.00 0.00 C ATOM 417 CE LYS A 27 3.361 -20.998 10.307 1.00 0.00 C ATOM 418 NZ LYS A 27 4.579 -21.821 10.524 1.00 0.00 N ATOM 0 H LYS A 27 3.740 -15.543 13.827 1.00 0.00 H new ATOM 0 HA LYS A 27 5.821 -17.656 13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.520 -18.513 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.061 -17.399 12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.540 -18.583 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.080 -19.666 12.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.817 -20.618 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.170 -19.449 11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.507 -21.659 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.481 -20.420 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.566 -22.637 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.425 -21.246 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.600 -22.157 11.508 1.00 0.00 H new ATOM 432 N LYS A 28 6.725 -17.102 11.502 1.00 0.00 N ATOM 433 CA LYS A 28 7.459 -16.709 10.304 1.00 0.00 C ATOM 434 C LYS A 28 7.326 -17.814 9.244 1.00 0.00 C ATOM 435 O LYS A 28 7.545 -18.995 9.542 1.00 0.00 O ATOM 436 CB LYS A 28 8.944 -16.477 10.680 1.00 0.00 C ATOM 437 CG LYS A 28 9.872 -16.124 9.500 1.00 0.00 C ATOM 438 CD LYS A 28 11.321 -15.837 9.955 1.00 0.00 C ATOM 439 CE LYS A 28 12.259 -15.455 8.795 1.00 0.00 C ATOM 440 NZ LYS A 28 13.627 -15.135 9.288 1.00 0.00 N ATOM 0 H LYS A 28 7.094 -17.949 11.934 1.00 0.00 H new ATOM 0 HA LYS A 28 7.053 -15.785 9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.995 -15.673 11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.324 -17.376 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.875 -16.947 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.478 -15.251 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.311 -15.029 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.718 -16.718 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.311 -16.277 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.852 -14.595 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.235 -14.882 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.579 -14.335 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.024 -15.964 9.774 1.00 0.00 H new ATOM 454 N GLY A 29 6.952 -17.425 8.022 1.00 0.00 N ATOM 455 CA GLY A 29 6.926 -18.330 6.869 1.00 0.00 C ATOM 456 C GLY A 29 7.851 -17.835 5.766 1.00 0.00 C ATOM 457 O GLY A 29 8.921 -17.310 6.067 1.00 0.00 O ATOM 0 H GLY A 29 6.658 -16.473 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.228 -19.330 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.908 -18.409 6.487 1.00 0.00 H new ATOM 461 N ALA A 30 7.419 -17.957 4.497 1.00 0.00 N ATOM 462 CA ALA A 30 8.218 -17.557 3.318 1.00 0.00 C ATOM 463 C ALA A 30 8.212 -16.022 3.145 1.00 0.00 C ATOM 464 O ALA A 30 7.140 -15.412 3.093 1.00 0.00 O ATOM 465 CB ALA A 30 7.675 -18.257 2.058 1.00 0.00 C ATOM 0 H ALA A 30 6.503 -18.337 4.257 1.00 0.00 H new ATOM 0 HA ALA A 30 9.252 -17.867 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.267 -17.959 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.738 -19.338 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.635 -17.970 1.902 1.00 0.00 H new ATOM 471 N GLU A 31 9.413 -15.415 3.054 1.00 0.00 N ATOM 472 CA GLU A 31 9.589 -13.944 3.038 1.00 0.00 C ATOM 473 C GLU A 31 8.879 -13.258 1.854 1.00 0.00 C ATOM 474 O GLU A 31 8.252 -12.229 2.034 1.00 0.00 O ATOM 475 CB GLU A 31 11.090 -13.566 3.015 1.00 0.00 C ATOM 476 CG GLU A 31 11.873 -13.950 4.280 1.00 0.00 C ATOM 477 CD GLU A 31 13.334 -13.475 4.224 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.591 -12.284 4.505 1.00 0.00 O ATOM 479 OE2 GLU A 31 14.231 -14.279 3.879 1.00 0.00 O ATOM 0 H GLU A 31 10.291 -15.930 2.989 1.00 0.00 H new ATOM 0 HA GLU A 31 9.125 -13.583 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.558 -14.047 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.177 -12.490 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.385 -13.517 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.849 -15.032 4.406 1.00 0.00 H new ATOM 486 N ALA A 32 9.034 -13.804 0.647 1.00 0.00 N ATOM 487 CA ALA A 32 8.449 -13.218 -0.579 1.00 0.00 C ATOM 488 C ALA A 32 6.999 -13.689 -0.808 1.00 0.00 C ATOM 489 O ALA A 32 6.065 -12.879 -0.786 1.00 0.00 O ATOM 490 CB ALA A 32 9.329 -13.541 -1.798 1.00 0.00 C ATOM 0 H ALA A 32 9.564 -14.660 0.483 1.00 0.00 H new ATOM 0 HA ALA A 32 8.417 -12.137 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.886 -13.103 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.326 -13.127 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.400 -14.622 -1.920 1.00 0.00 H new ATOM 496 N ALA A 33 6.824 -15.010 -0.986 1.00 0.00 N ATOM 497 CA ALA A 33 5.560 -15.603 -1.492 1.00 0.00 C ATOM 498 C ALA A 33 4.600 -16.043 -0.368 1.00 0.00 C ATOM 499 O ALA A 33 3.511 -16.560 -0.659 1.00 0.00 O ATOM 500 CB ALA A 33 5.890 -16.789 -2.417 1.00 0.00 C ATOM 0 H ALA A 33 7.548 -15.700 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 33 5.035 -14.826 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.965 -17.227 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.491 -16.439 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.448 -17.541 -1.859 1.00 0.00 H new ATOM 506 N GLY A 34 4.997 -15.830 0.898 1.00 0.00 N ATOM 507 CA GLY A 34 4.200 -16.261 2.057 1.00 0.00 C ATOM 508 C GLY A 34 2.852 -15.551 2.201 1.00 0.00 C ATOM 509 O GLY A 34 2.681 -14.427 1.724 1.00 0.00 O ATOM 0 H GLY A 34 5.868 -15.360 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.025 -17.334 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.782 -16.096 2.964 1.00 0.00 H new ATOM 513 N ALA A 35 1.877 -16.229 2.833 1.00 0.00 N ATOM 514 CA ALA A 35 0.602 -15.600 3.238 1.00 0.00 C ATOM 515 C ALA A 35 0.816 -14.831 4.552 1.00 0.00 C ATOM 516 O ALA A 35 1.829 -15.032 5.222 1.00 0.00 O ATOM 517 CB ALA A 35 -0.495 -16.664 3.401 1.00 0.00 C ATOM 0 H ALA A 35 1.946 -17.217 3.076 1.00 0.00 H new ATOM 0 HA ALA A 35 0.278 -14.904 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.427 -16.183 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.642 -17.183 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.196 -17.381 4.165 1.00 0.00 H new ATOM 523 N ILE A 36 -0.130 -13.949 4.921 1.00 0.00 N ATOM 524 CA ILE A 36 -0.050 -13.168 6.175 1.00 0.00 C ATOM 525 C ILE A 36 -1.407 -13.232 6.886 1.00 0.00 C ATOM 526 O ILE A 36 -2.403 -12.721 6.366 1.00 0.00 O ATOM 527 CB ILE A 36 0.319 -11.645 5.951 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.545 -11.442 5.014 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.551 -10.929 7.307 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.841 -12.029 5.528 1.00 0.00 C ATOM 0 H ILE A 36 -0.965 -13.756 4.367 1.00 0.00 H new ATOM 0 HA ILE A 36 0.749 -13.612 6.769 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.537 -11.195 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.321 -11.886 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.686 -10.374 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.803 -9.884 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.356 -10.986 7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.370 -11.414 7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.637 -11.838 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.096 -11.568 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.725 -13.104 5.664 1.00 0.00 H new ATOM 542 N PHE A 37 -1.451 -13.885 8.051 1.00 0.00 N ATOM 543 CA PHE A 37 -2.627 -13.894 8.929 1.00 0.00 C ATOM 544 C PHE A 37 -2.305 -13.123 10.205 1.00 0.00 C ATOM 545 O PHE A 37 -1.490 -13.550 11.010 1.00 0.00 O ATOM 546 CB PHE A 37 -3.080 -15.343 9.245 1.00 0.00 C ATOM 547 CG PHE A 37 -3.766 -16.033 8.064 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.037 -16.426 6.942 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.144 -16.262 8.065 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.657 -17.017 5.863 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.761 -16.858 6.984 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.018 -17.233 5.884 1.00 0.00 C ATOM 0 H PHE A 37 -0.667 -14.426 8.415 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.458 -13.406 8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.212 -15.930 9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.763 -15.326 10.094 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.969 -16.264 6.919 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.733 -15.969 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.077 -17.311 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.827 -17.031 6.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.504 -17.697 5.038 1.00 0.00 H new ATOM 562 N VAL A 38 -2.967 -11.985 10.385 1.00 0.00 N ATOM 563 CA VAL A 38 -2.761 -11.089 11.528 1.00 0.00 C ATOM 564 C VAL A 38 -3.971 -11.193 12.446 1.00 0.00 C ATOM 565 O VAL A 38 -5.091 -11.317 11.968 1.00 0.00 O ATOM 566 CB VAL A 38 -2.574 -9.600 11.034 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.470 -8.595 12.205 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.338 -9.486 10.121 1.00 0.00 C ATOM 0 H VAL A 38 -3.675 -11.649 9.732 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.860 -11.380 12.067 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.467 -9.340 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.343 -7.587 11.809 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.380 -8.638 12.803 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.614 -8.851 12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.224 -8.454 9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.449 -9.790 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.466 -10.133 9.253 1.00 0.00 H new ATOM 578 N ARG A 39 -3.750 -11.160 13.755 1.00 0.00 N ATOM 579 CA ARG A 39 -4.836 -11.103 14.729 1.00 0.00 C ATOM 580 C ARG A 39 -4.866 -9.682 15.311 1.00 0.00 C ATOM 581 O ARG A 39 -3.812 -9.106 15.605 1.00 0.00 O ATOM 582 CB ARG A 39 -4.656 -12.161 15.869 1.00 0.00 C ATOM 583 CG ARG A 39 -3.603 -11.794 16.936 1.00 0.00 C ATOM 584 CD ARG A 39 -3.551 -12.771 18.111 1.00 0.00 C ATOM 585 NE ARG A 39 -2.965 -14.069 17.747 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.197 -15.212 18.386 1.00 0.00 C ATOM 587 NH1 ARG A 39 -4.143 -15.288 19.311 1.00 0.00 N ATOM 588 NH2 ARG A 39 -2.513 -16.294 18.066 1.00 0.00 N ATOM 0 H ARG A 39 -2.819 -11.172 14.171 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.778 -11.339 14.235 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.616 -12.308 16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.379 -13.115 15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.621 -11.753 16.465 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.816 -10.795 17.315 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.969 -12.329 18.920 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.560 -12.927 18.493 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.334 -14.095 16.946 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.701 -14.465 19.539 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.313 -16.169 19.795 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.808 -16.253 17.330 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.689 -17.172 18.555 1.00 0.00 H new ATOM 602 N GLN A 40 -6.058 -9.102 15.402 1.00 0.00 N ATOM 603 CA GLN A 40 -6.296 -7.908 16.216 1.00 0.00 C ATOM 604 C GLN A 40 -6.548 -8.365 17.650 1.00 0.00 C ATOM 605 O GLN A 40 -7.126 -9.434 17.857 1.00 0.00 O ATOM 606 CB GLN A 40 -7.523 -7.118 15.701 1.00 0.00 C ATOM 607 CG GLN A 40 -7.944 -5.941 16.596 1.00 0.00 C ATOM 608 CD GLN A 40 -9.162 -5.172 16.105 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.040 -5.699 15.432 1.00 0.00 O ATOM 610 NE2 GLN A 40 -9.233 -3.928 16.494 1.00 0.00 N ATOM 0 H GLN A 40 -6.887 -9.443 14.916 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.429 -7.250 16.160 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.302 -6.739 14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.365 -7.803 15.603 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.150 -6.319 17.597 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.106 -5.250 16.682 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.481 -3.525 17.054 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.040 -3.359 16.238 1.00 0.00 H new ATOM 619 N ARG A 41 -6.110 -7.575 18.630 1.00 0.00 N ATOM 620 CA ARG A 41 -6.437 -7.817 20.035 1.00 0.00 C ATOM 621 C ARG A 41 -7.096 -6.578 20.633 1.00 0.00 C ATOM 622 O ARG A 41 -6.641 -5.457 20.430 1.00 0.00 O ATOM 623 CB ARG A 41 -5.174 -8.169 20.850 1.00 0.00 C ATOM 624 CG ARG A 41 -5.485 -8.809 22.229 1.00 0.00 C ATOM 625 CD ARG A 41 -4.232 -9.186 23.047 1.00 0.00 C ATOM 626 NE ARG A 41 -3.607 -8.027 23.710 1.00 0.00 N ATOM 627 CZ ARG A 41 -2.447 -8.057 24.383 1.00 0.00 C ATOM 628 NH1 ARG A 41 -1.708 -9.158 24.434 1.00 0.00 N ATOM 629 NH2 ARG A 41 -2.038 -6.977 25.021 1.00 0.00 N ATOM 0 H ARG A 41 -5.523 -6.755 18.474 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.124 -8.662 20.081 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.557 -8.856 20.270 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.586 -7.264 21.003 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.090 -8.114 22.811 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.087 -9.704 22.074 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.505 -9.925 23.800 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.503 -9.657 22.388 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.094 -7.133 23.653 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.019 -10.004 23.956 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.829 -9.159 24.952 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.603 -6.128 25.000 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.157 -6.991 25.535 1.00 0.00 H new ATOM 643 N LEU A 42 -8.188 -6.812 21.329 1.00 0.00 N ATOM 644 CA LEU A 42 -8.835 -5.842 22.205 1.00 0.00 C ATOM 645 C LEU A 42 -8.363 -6.120 23.633 1.00 0.00 C ATOM 646 O LEU A 42 -8.160 -7.281 24.022 1.00 0.00 O ATOM 647 CB LEU A 42 -10.393 -5.957 22.105 1.00 0.00 C ATOM 648 CG LEU A 42 -11.053 -5.569 20.737 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.633 -4.159 20.296 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.790 -6.617 19.626 1.00 0.00 C ATOM 0 H LEU A 42 -8.670 -7.710 21.304 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.567 -4.828 21.908 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.671 -6.985 22.335 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.829 -5.328 22.881 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.131 -5.562 20.901 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.107 -3.919 19.344 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.944 -3.435 21.049 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.550 -4.121 20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.270 -6.296 18.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.717 -6.713 19.463 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.198 -7.581 19.931 1.00 0.00 H new ATOM 662 N ARG A 43 -8.190 -5.046 24.408 1.00 0.00 N ATOM 663 CA ARG A 43 -7.867 -5.125 25.849 1.00 0.00 C ATOM 664 C ARG A 43 -9.012 -5.806 26.654 1.00 0.00 C ATOM 665 O ARG A 43 -8.827 -6.206 27.810 1.00 0.00 O ATOM 666 CB ARG A 43 -7.553 -3.698 26.392 1.00 0.00 C ATOM 667 CG ARG A 43 -8.771 -2.761 26.638 1.00 0.00 C ATOM 668 CD ARG A 43 -9.644 -2.470 25.399 1.00 0.00 C ATOM 669 NE ARG A 43 -8.919 -1.797 24.307 1.00 0.00 N ATOM 670 CZ ARG A 43 -9.482 -1.383 23.158 1.00 0.00 C ATOM 671 NH1 ARG A 43 -10.762 -1.639 22.883 1.00 0.00 N ATOM 672 NH2 ARG A 43 -8.745 -0.731 22.279 1.00 0.00 N ATOM 0 H ARG A 43 -8.269 -4.091 24.060 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.983 -5.749 25.977 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.009 -3.803 27.331 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.882 -3.206 25.688 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.401 -3.206 27.408 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.405 -1.814 27.034 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.054 -3.409 25.026 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.489 -1.850 25.699 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.920 -1.634 24.431 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.333 -2.158 23.550 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.170 -1.316 22.006 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.761 -0.547 22.475 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.159 -0.411 21.403 1.00 0.00 H new ATOM 686 N ASP A 44 -10.196 -5.910 26.008 1.00 0.00 N ATOM 687 CA ASP A 44 -11.387 -6.615 26.524 1.00 0.00 C ATOM 688 C ASP A 44 -11.180 -8.148 26.569 1.00 0.00 C ATOM 689 O ASP A 44 -11.978 -8.876 27.185 1.00 0.00 O ATOM 690 CB ASP A 44 -12.606 -6.299 25.617 1.00 0.00 C ATOM 691 CG ASP A 44 -12.868 -4.793 25.438 1.00 0.00 C ATOM 692 OD1 ASP A 44 -13.573 -4.193 26.277 1.00 0.00 O ATOM 693 OD2 ASP A 44 -12.363 -4.201 24.452 1.00 0.00 O ATOM 0 H ASP A 44 -10.351 -5.494 25.090 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.561 -6.267 27.542 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.446 -6.750 24.638 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.495 -6.766 26.042 1.00 0.00 H new ATOM 698 N GLY A 45 -10.124 -8.624 25.889 1.00 0.00 N ATOM 699 CA GLY A 45 -9.839 -10.053 25.761 1.00 0.00 C ATOM 700 C GLY A 45 -10.387 -10.615 24.459 1.00 0.00 C ATOM 701 O GLY A 45 -10.156 -11.781 24.135 1.00 0.00 O ATOM 0 H GLY A 45 -9.448 -8.025 25.415 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.762 -10.216 25.804 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.277 -10.589 26.603 1.00 0.00 H new ATOM 705 N ARG A 46 -11.134 -9.773 23.709 1.00 0.00 N ATOM 706 CA ARG A 46 -11.691 -10.147 22.398 1.00 0.00 C ATOM 707 C ARG A 46 -10.609 -9.971 21.337 1.00 0.00 C ATOM 708 O ARG A 46 -9.643 -9.251 21.565 1.00 0.00 O ATOM 709 CB ARG A 46 -12.937 -9.290 22.036 1.00 0.00 C ATOM 710 CG ARG A 46 -13.895 -9.010 23.213 1.00 0.00 C ATOM 711 CD ARG A 46 -14.395 -10.289 23.896 1.00 0.00 C ATOM 712 NE ARG A 46 -15.302 -9.994 25.022 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.372 -10.687 26.169 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.583 -11.740 26.383 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.239 -10.325 27.102 1.00 0.00 N ATOM 0 H ARG A 46 -11.364 -8.822 23.997 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.014 -11.187 22.441 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.599 -8.338 21.627 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.492 -9.797 21.247 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.386 -8.387 23.948 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.750 -8.440 22.850 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.913 -10.911 23.166 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.543 -10.864 24.258 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.929 -9.196 24.920 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.914 -12.029 25.670 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.648 -12.256 27.260 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.850 -9.523 26.947 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.296 -10.848 27.976 1.00 0.00 H new ATOM 729 N GLU A 47 -10.788 -10.606 20.180 1.00 0.00 N ATOM 730 CA GLU A 47 -9.776 -10.642 19.111 1.00 0.00 C ATOM 731 C GLU A 47 -10.453 -10.760 17.747 1.00 0.00 C ATOM 732 O GLU A 47 -11.573 -11.234 17.642 1.00 0.00 O ATOM 733 CB GLU A 47 -8.790 -11.837 19.332 1.00 0.00 C ATOM 734 CG GLU A 47 -7.789 -11.641 20.492 1.00 0.00 C ATOM 735 CD GLU A 47 -6.977 -12.894 20.829 1.00 0.00 C ATOM 736 OE1 GLU A 47 -6.305 -13.432 19.929 1.00 0.00 O ATOM 737 OE2 GLU A 47 -6.969 -13.317 22.006 1.00 0.00 O ATOM 0 H GLU A 47 -11.642 -11.115 19.951 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.207 -9.713 19.140 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.371 -12.740 19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.231 -12.004 18.412 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.103 -10.834 20.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.335 -11.324 21.380 1.00 0.00 H new ATOM 744 N ASN A 48 -9.779 -10.270 16.709 1.00 0.00 N ATOM 745 CA ASN A 48 -10.175 -10.498 15.305 1.00 0.00 C ATOM 746 C ASN A 48 -9.035 -11.248 14.606 1.00 0.00 C ATOM 747 O ASN A 48 -7.947 -11.394 15.164 1.00 0.00 O ATOM 748 CB ASN A 48 -10.482 -9.169 14.544 1.00 0.00 C ATOM 749 CG ASN A 48 -11.696 -8.360 15.038 1.00 0.00 C ATOM 750 OD1 ASN A 48 -12.437 -7.799 14.231 1.00 0.00 O ATOM 751 ND2 ASN A 48 -11.874 -8.214 16.343 1.00 0.00 N ATOM 0 H ASN A 48 -8.939 -9.701 16.809 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.096 -11.081 15.296 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.600 -8.531 14.602 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.635 -9.406 13.491 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.634 -7.630 16.692 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.251 -8.686 16.999 1.00 0.00 H new ATOM 758 N LEU A 49 -9.288 -11.709 13.382 1.00 0.00 N ATOM 759 CA LEU A 49 -8.307 -12.447 12.571 1.00 0.00 C ATOM 760 C LEU A 49 -8.443 -11.957 11.135 1.00 0.00 C ATOM 761 O LEU A 49 -9.546 -11.640 10.695 1.00 0.00 O ATOM 762 CB LEU A 49 -8.535 -13.987 12.669 1.00 0.00 C ATOM 763 CG LEU A 49 -7.257 -14.892 12.745 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.647 -16.353 12.996 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.359 -14.779 11.492 1.00 0.00 C ATOM 0 H LEU A 49 -10.187 -11.582 12.916 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.297 -12.263 12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.143 -14.184 13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.120 -14.299 11.804 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.667 -14.526 13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.747 -16.966 13.046 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.190 -16.428 13.938 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.282 -16.705 12.183 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.492 -15.429 11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.925 -15.080 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.026 -13.748 11.375 1.00 0.00 H new ATOM 777 N TYR A 50 -7.313 -11.853 10.435 1.00 0.00 N ATOM 778 CA TYR A 50 -7.228 -11.329 9.067 1.00 0.00 C ATOM 779 C TYR A 50 -6.391 -12.278 8.214 1.00 0.00 C ATOM 780 O TYR A 50 -5.584 -13.032 8.747 1.00 0.00 O ATOM 781 CB TYR A 50 -6.598 -9.910 9.085 1.00 0.00 C ATOM 782 CG TYR A 50 -7.266 -8.990 10.110 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.562 -8.527 9.909 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.631 -8.641 11.300 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.194 -7.743 10.845 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.260 -7.853 12.234 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.546 -7.411 12.001 1.00 0.00 C ATOM 788 OH TYR A 50 -9.179 -6.614 12.928 1.00 0.00 O ATOM 0 H TYR A 50 -6.408 -12.137 10.811 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.227 -11.256 8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.535 -9.990 9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.681 -9.466 8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.082 -8.789 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.629 -8.995 11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.199 -7.391 10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.750 -7.581 13.146 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.147 -6.761 12.880 1.00 0.00 H new ATOM 798 N GLY A 51 -6.604 -12.235 6.899 1.00 0.00 N ATOM 799 CA GLY A 51 -5.855 -13.043 5.941 1.00 0.00 C ATOM 800 C GLY A 51 -5.776 -12.347 4.593 1.00 0.00 C ATOM 801 O GLY A 51 -6.514 -11.384 4.373 1.00 0.00 O ATOM 0 H GLY A 51 -7.306 -11.634 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.850 -13.226 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.334 -14.015 5.826 1.00 0.00 H new ATOM 805 N PRO A 52 -4.900 -12.802 3.651 1.00 0.00 N ATOM 806 CA PRO A 52 -4.750 -12.150 2.335 1.00 0.00 C ATOM 807 C PRO A 52 -5.975 -12.418 1.422 1.00 0.00 C ATOM 808 O PRO A 52 -6.410 -13.565 1.258 1.00 0.00 O ATOM 809 CB PRO A 52 -3.446 -12.769 1.784 1.00 0.00 C ATOM 810 CG PRO A 52 -3.368 -14.124 2.422 1.00 0.00 C ATOM 811 CD PRO A 52 -4.005 -13.983 3.791 1.00 0.00 C ATOM 0 HA PRO A 52 -4.699 -11.063 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.472 -12.844 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.579 -12.160 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.893 -14.868 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.333 -14.456 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.564 -14.878 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.255 -13.826 4.566 1.00 0.00 H new ATOM 819 N ALA A 53 -6.535 -11.339 0.873 1.00 0.00 N ATOM 820 CA ALA A 53 -7.709 -11.377 -0.020 1.00 0.00 C ATOM 821 C ALA A 53 -7.287 -11.123 -1.483 1.00 0.00 C ATOM 822 O ALA A 53 -6.164 -10.652 -1.729 1.00 0.00 O ATOM 823 CB ALA A 53 -8.738 -10.317 0.428 1.00 0.00 C ATOM 0 H ALA A 53 -6.184 -10.395 1.035 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.163 -12.366 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.604 -10.348 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.055 -10.526 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.283 -9.327 0.385 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.425 -3.926 -4.283 1.00 0.00 N ATOM 1023 CA GLU A 67 -0.312 -5.015 -3.293 1.00 0.00 C ATOM 1024 C GLU A 67 -1.649 -5.763 -3.133 1.00 0.00 C ATOM 1025 O GLU A 67 -2.714 -5.250 -3.512 1.00 0.00 O ATOM 1026 CB GLU A 67 0.154 -4.466 -1.906 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.878 -3.621 -1.112 1.00 0.00 C ATOM 1028 CD GLU A 67 -1.360 -2.345 -1.835 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -0.502 -1.543 -2.281 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -2.586 -2.139 -1.970 1.00 0.00 O ATOM 0 HA GLU A 67 0.437 -5.714 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.450 -5.312 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.045 -3.858 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.744 -4.245 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.436 -3.336 -0.157 1.00 0.00 H new ATOM 1037 N ARG A 68 -1.572 -6.976 -2.567 1.00 0.00 N ATOM 1038 CA ARG A 68 -2.753 -7.746 -2.143 1.00 0.00 C ATOM 1039 C ARG A 68 -3.431 -7.044 -0.940 1.00 0.00 C ATOM 1040 O ARG A 68 -2.767 -6.698 0.051 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.346 -9.206 -1.772 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.246 -9.297 -0.685 1.00 0.00 C ATOM 1043 CD ARG A 68 -0.834 -10.738 -0.343 1.00 0.00 C ATOM 1044 NE ARG A 68 0.223 -10.754 0.689 1.00 0.00 N ATOM 1045 CZ ARG A 68 1.200 -11.667 0.789 1.00 0.00 C ATOM 1046 NH1 ARG A 68 1.287 -12.677 -0.070 1.00 0.00 N ATOM 1047 NH2 ARG A 68 2.103 -11.556 1.746 1.00 0.00 N ATOM 0 H ARG A 68 -0.688 -7.453 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.464 -7.792 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.230 -9.742 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.997 -9.714 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.367 -8.748 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.601 -8.805 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.702 -11.294 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.478 -11.242 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 68 0.208 -10.008 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.603 -12.768 -0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.037 -13.362 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.055 -10.779 2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.848 -12.248 1.827 1.00 0.00 H new ATOM 1061 N ARG A 69 -4.742 -6.795 -1.055 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.555 -6.250 0.039 1.00 0.00 C ATOM 1063 C ARG A 69 -6.033 -7.426 0.903 1.00 0.00 C ATOM 1064 O ARG A 69 -6.101 -8.549 0.416 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.734 -5.439 -0.555 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.608 -4.705 0.486 1.00 0.00 C ATOM 1067 CD ARG A 69 -8.619 -3.748 -0.171 1.00 0.00 C ATOM 1068 NE ARG A 69 -9.537 -3.133 0.805 1.00 0.00 N ATOM 1069 CZ ARG A 69 -10.391 -2.133 0.531 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.458 -1.599 -0.686 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -11.176 -1.674 1.484 1.00 0.00 N ATOM 0 H ARG A 69 -5.269 -6.966 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.980 -5.569 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.335 -4.705 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.368 -6.115 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.144 -5.438 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.966 -4.142 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.079 -2.963 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.199 -4.294 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.523 -3.494 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.854 -1.948 -1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.113 -0.840 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.132 -2.078 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.828 -0.915 1.286 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.325 -7.181 2.185 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.659 -8.250 3.155 1.00 0.00 C ATOM 1087 C PHE A 70 -8.168 -8.343 3.386 1.00 0.00 C ATOM 1088 O PHE A 70 -8.932 -7.577 2.821 1.00 0.00 O ATOM 1089 CB PHE A 70 -5.889 -8.015 4.489 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.430 -8.457 4.451 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.601 -8.118 3.382 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -3.893 -9.225 5.480 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.292 -8.538 3.337 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.583 -9.637 5.434 1.00 0.00 C ATOM 1095 CZ PHE A 70 -1.783 -9.295 4.362 1.00 0.00 C ATOM 0 H PHE A 70 -6.339 -6.243 2.586 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.344 -9.207 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.930 -6.955 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.399 -8.550 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.993 -7.516 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.511 -9.499 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.667 -8.273 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.177 -10.231 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.755 -9.624 4.330 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.568 -9.349 4.171 1.00 0.00 N ATOM 1106 CA GLU A 71 -9.963 -9.612 4.573 1.00 0.00 C ATOM 1107 C GLU A 71 -9.992 -10.056 6.040 1.00 0.00 C ATOM 1108 O GLU A 71 -8.989 -10.544 6.561 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.582 -10.713 3.678 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.801 -12.044 3.655 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.491 -13.117 2.802 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -10.241 -13.184 1.581 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.292 -13.891 3.351 1.00 0.00 O ATOM 0 H GLU A 71 -7.912 -10.027 4.559 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.547 -8.699 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.598 -10.910 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.656 -10.334 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.798 -11.866 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.688 -12.413 4.675 1.00 0.00 H new ATOM 1120 N THR A 72 -11.145 -9.890 6.695 1.00 0.00 N ATOM 1121 CA THR A 72 -11.329 -10.270 8.100 1.00 0.00 C ATOM 1122 C THR A 72 -11.879 -11.715 8.178 1.00 0.00 C ATOM 1123 O THR A 72 -13.012 -11.968 7.753 1.00 0.00 O ATOM 1124 CB THR A 72 -12.301 -9.270 8.807 1.00 0.00 C ATOM 1125 OG1 THR A 72 -11.873 -7.921 8.539 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.362 -9.490 10.328 1.00 0.00 C ATOM 0 H THR A 72 -11.978 -9.488 6.266 1.00 0.00 H new ATOM 0 HA THR A 72 -10.368 -10.231 8.613 1.00 0.00 H new ATOM 0 HB THR A 72 -13.300 -9.445 8.408 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.122 -7.343 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.050 -8.771 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.710 -10.502 10.536 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.369 -9.353 10.756 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.049 -12.655 8.677 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.419 -14.074 8.842 1.00 0.00 C ATOM 1136 C ARG A 73 -12.377 -14.264 10.038 1.00 0.00 C ATOM 1137 O ARG A 73 -13.493 -14.773 9.879 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.135 -14.941 9.022 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.141 -14.886 7.835 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.792 -15.273 6.488 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.436 -16.603 6.521 1.00 0.00 N ATOM 1142 CZ ARG A 73 -11.106 -17.166 5.499 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -11.232 -16.546 4.328 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -11.649 -18.362 5.656 1.00 0.00 N ATOM 0 H ARG A 73 -10.097 -12.448 8.978 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.943 -14.400 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.618 -14.616 9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.433 -15.977 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.730 -13.879 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.306 -15.557 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.535 -14.522 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.032 -15.262 5.707 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.367 -17.137 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.816 -15.625 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.744 -16.992 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.558 -18.850 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.159 -18.796 4.886 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.921 -13.857 11.240 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.722 -13.930 12.488 1.00 0.00 C ATOM 1160 C LEU A 74 -12.899 -12.516 13.061 1.00 0.00 C ATOM 1161 O LEU A 74 -12.128 -11.616 12.724 1.00 0.00 O ATOM 1162 CB LEU A 74 -12.027 -14.855 13.528 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.824 -16.348 13.095 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.957 -17.112 14.115 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.176 -17.068 12.887 1.00 0.00 C ATOM 0 H LEU A 74 -10.988 -13.468 11.377 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.701 -14.352 12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.052 -14.431 13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.614 -14.841 14.446 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.299 -16.337 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.834 -18.144 13.787 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.979 -16.636 14.190 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.444 -17.097 15.090 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.996 -18.100 12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.743 -17.054 13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.744 -16.558 12.109 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.898 -12.329 13.945 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.220 -11.005 14.504 1.00 0.00 C ATOM 1179 C ALA A 75 -14.890 -11.122 15.884 1.00 0.00 C ATOM 1180 O ALA A 75 -15.889 -11.835 16.028 1.00 0.00 O ATOM 1181 CB ALA A 75 -15.120 -10.225 13.526 1.00 0.00 C ATOM 0 H ALA A 75 -14.496 -13.081 14.287 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.287 -10.459 14.641 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.353 -9.247 13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.600 -10.096 12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.044 -10.779 13.361 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.316 -10.417 16.886 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.875 -10.349 18.250 1.00 0.00 C ATOM 1189 C GLY A 76 -14.905 -11.699 18.968 1.00 0.00 C ATOM 1190 O GLY A 76 -15.814 -11.986 19.745 1.00 0.00 O ATOM 0 H GLY A 76 -13.455 -9.882 16.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.287 -9.646 18.840 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.889 -9.952 18.199 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.882 -12.505 18.701 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.719 -13.877 19.219 1.00 0.00 C ATOM 1196 C VAL A 77 -12.623 -13.893 20.309 1.00 0.00 C ATOM 1197 O VAL A 77 -12.271 -12.842 20.830 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.362 -14.865 18.043 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.490 -14.921 16.988 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.012 -14.502 17.381 1.00 0.00 C ATOM 0 H VAL A 77 -13.111 -12.219 18.097 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.657 -14.210 19.664 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.262 -15.858 18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.210 -15.611 16.192 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.412 -15.264 17.458 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.645 -13.927 16.568 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.801 -15.205 16.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.066 -13.492 16.976 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.217 -14.553 18.125 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.126 -15.082 20.692 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.979 -15.209 21.630 1.00 0.00 C ATOM 1212 C GLU A 78 -9.783 -15.901 20.947 1.00 0.00 C ATOM 1213 O GLU A 78 -9.909 -16.407 19.825 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.421 -15.983 22.900 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.969 -17.394 22.626 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.435 -18.109 23.903 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -11.587 -18.702 24.608 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -13.646 -18.065 24.215 1.00 0.00 O ATOM 0 H GLU A 78 -12.497 -15.976 20.369 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.655 -14.211 21.925 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.570 -16.062 23.577 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.186 -15.403 23.416 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.803 -17.326 21.928 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.196 -17.991 22.142 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.638 -15.951 21.666 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.391 -16.551 21.161 1.00 0.00 C ATOM 1227 C GLY A 79 -7.479 -18.053 20.913 1.00 0.00 C ATOM 1228 O GLY A 79 -6.650 -18.620 20.195 1.00 0.00 O ATOM 0 H GLY A 79 -8.557 -15.576 22.611 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.113 -16.056 20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.592 -16.358 21.876 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.483 -18.689 21.533 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.826 -20.097 21.289 1.00 0.00 C ATOM 1234 C GLU A 80 -9.296 -20.271 19.834 1.00 0.00 C ATOM 1235 O GLU A 80 -8.824 -21.158 19.128 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.935 -20.548 22.271 1.00 0.00 C ATOM 1237 CG GLU A 80 -10.323 -22.035 22.190 1.00 0.00 C ATOM 1238 CD GLU A 80 -9.171 -22.981 22.561 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -8.894 -23.151 23.773 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -8.512 -23.537 21.655 1.00 0.00 O ATOM 0 H GLU A 80 -9.084 -18.238 22.223 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.944 -20.717 21.452 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.607 -20.330 23.288 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.826 -19.947 22.088 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.166 -22.221 22.855 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.659 -22.262 21.178 1.00 0.00 H new ATOM 1247 N GLU A 81 -10.201 -19.368 19.406 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.756 -19.345 18.039 1.00 0.00 C ATOM 1249 C GLU A 81 -9.666 -18.989 17.014 1.00 0.00 C ATOM 1250 O GLU A 81 -9.600 -19.583 15.925 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.911 -18.318 17.959 1.00 0.00 C ATOM 1252 CG GLU A 81 -13.061 -18.554 18.961 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.821 -19.869 18.723 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.730 -19.893 17.863 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.502 -20.888 19.379 1.00 0.00 O ATOM 0 H GLU A 81 -10.570 -18.629 20.004 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.138 -20.338 17.804 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.503 -17.321 18.125 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.320 -18.331 16.949 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.656 -18.556 19.973 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.762 -17.722 18.900 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.810 -18.019 17.387 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.724 -17.535 16.524 1.00 0.00 C ATOM 1264 C ILE A 82 -6.747 -18.687 16.206 1.00 0.00 C ATOM 1265 O ILE A 82 -6.568 -19.052 15.042 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.963 -16.319 17.182 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.952 -15.163 17.543 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.830 -15.795 16.270 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.633 -14.504 16.360 1.00 0.00 C ATOM 0 H ILE A 82 -8.854 -17.552 18.293 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.163 -17.179 15.592 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.510 -16.684 18.103 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.719 -15.557 18.210 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.407 -14.400 18.099 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.329 -14.958 16.757 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.110 -16.593 16.089 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.251 -15.464 15.321 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.298 -13.716 16.715 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.880 -14.073 15.700 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.212 -15.248 15.813 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.196 -19.308 17.263 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.242 -20.433 17.129 1.00 0.00 C ATOM 1283 C ALA A 83 -5.911 -21.675 16.503 1.00 0.00 C ATOM 1284 O ALA A 83 -5.239 -22.474 15.838 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.632 -20.778 18.492 1.00 0.00 C ATOM 0 H ALA A 83 -6.395 -19.050 18.230 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.445 -20.116 16.456 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.933 -21.606 18.379 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.104 -19.909 18.885 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.425 -21.064 19.183 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.240 -21.809 16.709 1.00 0.00 N ATOM 1292 CA ALA A 84 -8.046 -22.897 16.113 1.00 0.00 C ATOM 1293 C ALA A 84 -8.053 -22.806 14.579 1.00 0.00 C ATOM 1294 O ALA A 84 -8.195 -23.824 13.905 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.487 -22.880 16.647 1.00 0.00 C ATOM 0 H ALA A 84 -7.782 -21.169 17.290 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.581 -23.839 16.403 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.054 -23.691 16.190 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.476 -23.010 17.729 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.955 -21.927 16.401 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.940 -21.573 14.035 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.762 -21.368 12.589 1.00 0.00 C ATOM 1303 C LEU A 85 -6.290 -21.543 12.172 1.00 0.00 C ATOM 1304 O LEU A 85 -6.009 -22.199 11.173 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.226 -19.974 12.105 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.063 -19.769 10.547 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.380 -19.923 9.792 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.307 -18.478 10.191 1.00 0.00 C ATOM 0 H LEU A 85 -7.969 -20.710 14.578 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.389 -22.127 12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.272 -19.832 12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.655 -19.207 12.627 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.428 -20.584 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.208 -19.772 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.779 -20.924 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.095 -19.183 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.226 -18.391 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.850 -17.618 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.309 -18.508 10.628 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.358 -20.903 12.907 1.00 0.00 N ATOM 1321 CA LEU A 86 -3.926 -20.872 12.516 1.00 0.00 C ATOM 1322 C LEU A 86 -3.303 -22.276 12.435 1.00 0.00 C ATOM 1323 O LEU A 86 -2.352 -22.480 11.674 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.065 -19.923 13.414 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.066 -18.399 13.039 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.967 -18.191 11.518 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -4.264 -17.647 13.617 1.00 0.00 C ATOM 0 H LEU A 86 -5.565 -20.402 13.771 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.914 -20.453 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.414 -20.020 14.442 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.034 -20.277 13.392 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.175 -17.973 13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.970 -17.124 11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.043 -18.635 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.818 -18.666 11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.211 -16.598 13.325 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.187 -18.084 13.235 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.250 -17.722 14.704 1.00 0.00 H new ATOM 1339 N GLU A 87 -3.841 -23.236 13.209 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.415 -24.646 13.121 1.00 0.00 C ATOM 1341 C GLU A 87 -3.820 -25.234 11.754 1.00 0.00 C ATOM 1342 O GLU A 87 -3.091 -26.053 11.176 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.007 -25.482 14.298 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.538 -25.781 14.223 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.928 -27.151 13.613 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -5.033 -27.935 13.212 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -7.138 -27.455 13.549 1.00 0.00 O ATOM 0 H GLU A 87 -4.570 -23.062 13.901 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.329 -24.691 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.474 -26.431 14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.805 -24.954 15.230 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.950 -25.722 15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.014 -24.995 13.637 1.00 0.00 H new ATOM 1354 N ARG A 88 -4.990 -24.792 11.249 1.00 0.00 N ATOM 1355 CA ARG A 88 -5.552 -25.287 9.990 1.00 0.00 C ATOM 1356 C ARG A 88 -4.772 -24.692 8.804 1.00 0.00 C ATOM 1357 O ARG A 88 -4.319 -25.417 7.930 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.056 -24.930 9.871 1.00 0.00 C ATOM 1359 CG ARG A 88 -7.885 -25.295 11.110 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.391 -25.064 10.928 1.00 0.00 C ATOM 1361 NE ARG A 88 -9.966 -26.014 9.954 1.00 0.00 N ATOM 1362 CZ ARG A 88 -10.388 -27.262 10.242 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -10.307 -27.751 11.483 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -10.880 -28.021 9.277 1.00 0.00 N ATOM 0 H ARG A 88 -5.565 -24.084 11.706 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.461 -26.373 9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.151 -23.860 9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.473 -25.442 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.713 -26.343 11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.535 -24.706 11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.896 -25.173 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.566 -24.043 10.590 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.051 -25.701 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.921 -27.178 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.632 -28.698 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.938 -27.661 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.202 -28.966 9.485 1.00 0.00 H new ATOM 1378 N GLU A 89 -4.595 -23.356 8.818 1.00 0.00 N ATOM 1379 CA GLU A 89 -3.926 -22.613 7.729 1.00 0.00 C ATOM 1380 C GLU A 89 -2.471 -23.057 7.553 1.00 0.00 C ATOM 1381 O GLU A 89 -1.976 -23.131 6.426 1.00 0.00 O ATOM 1382 CB GLU A 89 -3.999 -21.090 7.987 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.426 -20.542 8.106 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.327 -20.870 6.899 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.135 -20.267 5.826 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.232 -21.724 7.020 1.00 0.00 O ATOM 0 H GLU A 89 -4.911 -22.761 9.584 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.455 -22.839 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.456 -20.861 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.488 -20.570 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.885 -20.945 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.380 -19.460 8.228 1.00 0.00 H new ATOM 1393 N ARG A 90 -1.792 -23.346 8.678 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.402 -23.876 8.644 1.00 0.00 C ATOM 1395 C ARG A 90 -0.369 -25.332 8.129 1.00 0.00 C ATOM 1396 O ARG A 90 0.629 -25.760 7.546 1.00 0.00 O ATOM 1397 CB ARG A 90 0.313 -23.748 10.020 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.115 -24.780 11.085 1.00 0.00 C ATOM 1399 CD ARG A 90 0.590 -24.571 12.432 1.00 0.00 C ATOM 1400 NE ARG A 90 0.223 -25.603 13.428 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.073 -25.388 14.745 1.00 0.00 C ATOM 1402 NH1 ARG A 90 0.152 -24.158 15.246 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.177 -26.406 15.550 1.00 0.00 N ATOM 0 H ARG A 90 -2.172 -23.226 9.617 1.00 0.00 H new ATOM 0 HA ARG A 90 0.154 -23.257 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.388 -23.838 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.131 -22.748 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.193 -24.719 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.101 -25.784 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.669 -24.584 12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.335 -23.586 12.823 1.00 0.00 H new ATOM 0 HE ARG A 90 0.072 -26.552 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.328 -23.366 14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.036 -24.007 16.248 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.255 -27.349 15.170 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.292 -26.248 16.551 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.463 -26.087 8.368 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.618 -27.476 7.871 1.00 0.00 C ATOM 1419 C ARG A 91 -1.645 -27.492 6.321 1.00 0.00 C ATOM 1420 O ARG A 91 -0.932 -28.278 5.681 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.929 -28.090 8.439 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.185 -29.567 8.079 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.635 -30.013 8.366 1.00 0.00 C ATOM 1424 NE ARG A 91 -5.055 -29.781 9.764 1.00 0.00 N ATOM 1425 CZ ARG A 91 -6.285 -30.022 10.248 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -7.255 -30.481 9.462 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.545 -29.789 11.516 1.00 0.00 N ATOM 0 H ARG A 91 -2.262 -25.755 8.908 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.770 -28.072 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.911 -27.997 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.771 -27.497 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.965 -29.722 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.498 -30.198 8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.311 -29.479 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.733 -31.074 8.136 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.358 -29.410 10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.071 -30.656 8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.183 -30.658 9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.814 -29.427 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.478 -29.971 11.887 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.467 -26.593 5.741 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.593 -26.439 4.283 1.00 0.00 C ATOM 1443 C PHE A 92 -1.284 -25.875 3.682 1.00 0.00 C ATOM 1444 O PHE A 92 -0.697 -26.488 2.783 1.00 0.00 O ATOM 1445 CB PHE A 92 -3.815 -25.537 3.931 1.00 0.00 C ATOM 1446 CG PHE A 92 -5.175 -26.179 4.247 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.769 -27.074 3.357 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -5.847 -25.903 5.433 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -6.984 -27.670 3.650 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.063 -26.497 5.726 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.629 -27.381 4.834 1.00 0.00 C ATOM 0 H PHE A 92 -3.060 -25.956 6.273 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.766 -27.421 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.731 -24.599 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.778 -25.291 2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.274 -27.306 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.412 -25.212 6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.427 -28.363 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.567 -26.267 6.653 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.576 -27.847 5.062 1.00 0.00 H new ATOM 1461 N ASP A 93 -0.827 -24.724 4.206 1.00 0.00 N ATOM 1462 CA ASP A 93 0.411 -24.043 3.754 1.00 0.00 C ATOM 1463 C ASP A 93 1.063 -23.308 4.944 1.00 0.00 C ATOM 1464 O ASP A 93 0.574 -22.261 5.369 1.00 0.00 O ATOM 1465 CB ASP A 93 0.110 -23.032 2.607 1.00 0.00 C ATOM 1466 CG ASP A 93 -0.215 -23.687 1.253 1.00 0.00 C ATOM 1467 OD1 ASP A 93 0.721 -24.185 0.584 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -1.398 -23.704 0.852 1.00 0.00 O ATOM 0 H ASP A 93 -1.306 -24.232 4.961 1.00 0.00 H new ATOM 0 HA ASP A 93 1.097 -24.798 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.730 -22.403 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.971 -22.376 2.482 1.00 0.00 H new ATOM 1473 N SER A 94 2.171 -23.861 5.471 1.00 0.00 N ATOM 1474 CA SER A 94 2.876 -23.320 6.668 1.00 0.00 C ATOM 1475 C SER A 94 3.738 -22.063 6.358 1.00 0.00 C ATOM 1476 O SER A 94 4.346 -21.487 7.269 1.00 0.00 O ATOM 1477 CB SER A 94 3.736 -24.436 7.315 1.00 0.00 C ATOM 1478 OG SER A 94 4.253 -24.044 8.586 1.00 0.00 O ATOM 0 H SER A 94 2.610 -24.697 5.085 1.00 0.00 H new ATOM 0 HA SER A 94 2.111 -22.990 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.133 -25.337 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.562 -24.689 6.650 1.00 0.00 H new ATOM 0 HG SER A 94 5.186 -23.762 8.487 1.00 0.00 H new ATOM 1484 N ASP A 95 3.787 -21.633 5.082 1.00 0.00 N ATOM 1485 CA ASP A 95 4.552 -20.425 4.654 1.00 0.00 C ATOM 1486 C ASP A 95 3.897 -19.091 5.102 1.00 0.00 C ATOM 1487 O ASP A 95 4.403 -18.019 4.759 1.00 0.00 O ATOM 1488 CB ASP A 95 4.753 -20.436 3.113 1.00 0.00 C ATOM 1489 CG ASP A 95 3.432 -20.417 2.323 1.00 0.00 C ATOM 1490 OD1 ASP A 95 2.865 -19.325 2.097 1.00 0.00 O ATOM 1491 OD2 ASP A 95 2.948 -21.491 1.935 1.00 0.00 O ATOM 0 H ASP A 95 3.304 -22.103 4.317 1.00 0.00 H new ATOM 0 HA ASP A 95 5.519 -20.477 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.352 -19.571 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.321 -21.324 2.835 1.00 0.00 H new ATOM 1496 N LEU A 96 2.793 -19.155 5.869 1.00 0.00 N ATOM 1497 CA LEU A 96 2.134 -17.941 6.390 1.00 0.00 C ATOM 1498 C LEU A 96 2.907 -17.342 7.583 1.00 0.00 C ATOM 1499 O LEU A 96 3.653 -18.041 8.292 1.00 0.00 O ATOM 1500 CB LEU A 96 0.649 -18.183 6.801 1.00 0.00 C ATOM 1501 CG LEU A 96 0.392 -18.971 8.127 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -1.057 -18.803 8.598 1.00 0.00 C ATOM 1503 CD2 LEU A 96 0.726 -20.459 7.984 1.00 0.00 C ATOM 0 H LEU A 96 2.340 -20.028 6.141 1.00 0.00 H new ATOM 0 HA LEU A 96 2.140 -17.230 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.160 -17.213 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.157 -18.719 5.989 1.00 0.00 H new ATOM 0 HG LEU A 96 1.059 -18.547 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.206 -19.362 9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.262 -17.747 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.735 -19.180 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.533 -20.968 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.106 -20.898 7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.777 -20.572 7.720 1.00 0.00 H new ATOM 1515 N TRP A 97 2.702 -16.034 7.771 1.00 0.00 N ATOM 1516 CA TRP A 97 3.240 -15.253 8.884 1.00 0.00 C ATOM 1517 C TRP A 97 2.080 -14.835 9.767 1.00 0.00 C ATOM 1518 O TRP A 97 1.084 -14.322 9.263 1.00 0.00 O ATOM 1519 CB TRP A 97 3.950 -13.979 8.371 1.00 0.00 C ATOM 1520 CG TRP A 97 5.169 -14.231 7.526 1.00 0.00 C ATOM 1521 CD1 TRP A 97 5.238 -14.941 6.363 1.00 0.00 C ATOM 1522 CD2 TRP A 97 6.478 -13.731 7.768 1.00 0.00 C ATOM 1523 NE1 TRP A 97 6.519 -14.963 5.907 1.00 0.00 N ATOM 1524 CE2 TRP A 97 7.306 -14.216 6.744 1.00 0.00 C ATOM 1525 CE3 TRP A 97 7.033 -12.937 8.769 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.659 -13.918 6.684 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 8.374 -12.635 8.713 1.00 0.00 C ATOM 1528 CH2 TRP A 97 9.181 -13.136 7.681 1.00 0.00 C ATOM 0 H TRP A 97 2.139 -15.474 7.131 1.00 0.00 H new ATOM 0 HA TRP A 97 3.962 -15.859 9.431 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.238 -13.392 7.790 1.00 0.00 H new ATOM 0 HB3 TRP A 97 4.239 -13.371 9.228 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.399 -15.416 5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.842 -15.457 5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.420 -12.564 9.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 9.279 -14.289 5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.811 -12.004 9.473 1.00 0.00 H new ATOM 0 HH2 TRP A 97 10.235 -12.901 7.672 1.00 0.00 H new ATOM 1539 N VAL A 98 2.213 -15.039 11.071 1.00 0.00 N ATOM 1540 CA VAL A 98 1.178 -14.670 12.035 1.00 0.00 C ATOM 1541 C VAL A 98 1.708 -13.519 12.896 1.00 0.00 C ATOM 1542 O VAL A 98 2.813 -13.608 13.417 1.00 0.00 O ATOM 1543 CB VAL A 98 0.738 -15.900 12.907 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.486 -15.553 13.789 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.439 -17.130 12.013 1.00 0.00 C ATOM 0 H VAL A 98 3.039 -15.464 11.492 1.00 0.00 H new ATOM 0 HA VAL A 98 0.283 -14.341 11.506 1.00 0.00 H new ATOM 0 HB VAL A 98 1.566 -16.152 13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.767 -16.424 14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.232 -14.728 14.455 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.322 -15.262 13.153 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.136 -17.970 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.364 -16.888 11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.335 -17.399 11.453 1.00 0.00 H new ATOM 1555 N VAL A 99 0.944 -12.411 12.973 1.00 0.00 N ATOM 1556 CA VAL A 99 1.346 -11.194 13.737 1.00 0.00 C ATOM 1557 C VAL A 99 0.255 -10.841 14.759 1.00 0.00 C ATOM 1558 O VAL A 99 -0.898 -10.631 14.380 1.00 0.00 O ATOM 1559 CB VAL A 99 1.605 -9.941 12.794 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.107 -8.700 13.583 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.584 -10.294 11.654 1.00 0.00 C ATOM 0 H VAL A 99 0.037 -12.326 12.514 1.00 0.00 H new ATOM 0 HA VAL A 99 2.284 -11.426 14.242 1.00 0.00 H new ATOM 0 HB VAL A 99 0.643 -9.677 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.269 -7.871 12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.361 -8.414 14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.044 -8.942 14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.742 -9.418 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.536 -10.613 12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.166 -11.101 11.052 1.00 0.00 H new ATOM 1571 N GLU A 100 0.622 -10.784 16.050 1.00 0.00 N ATOM 1572 CA GLU A 100 -0.275 -10.314 17.112 1.00 0.00 C ATOM 1573 C GLU A 100 -0.167 -8.784 17.231 1.00 0.00 C ATOM 1574 O GLU A 100 0.847 -8.249 17.679 1.00 0.00 O ATOM 1575 CB GLU A 100 0.038 -11.031 18.469 1.00 0.00 C ATOM 1576 CG GLU A 100 1.503 -10.929 18.955 1.00 0.00 C ATOM 1577 CD GLU A 100 1.806 -11.772 20.203 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.201 -11.517 21.259 1.00 0.00 O ATOM 1579 OE2 GLU A 100 2.680 -12.670 20.146 1.00 0.00 O ATOM 0 H GLU A 100 1.545 -11.062 16.383 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.304 -10.567 16.855 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.611 -10.613 19.238 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.221 -12.085 18.371 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.166 -11.242 18.148 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.732 -9.885 19.169 1.00 0.00 H new ATOM 1586 N ILE A 101 -1.211 -8.084 16.758 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.352 -6.632 16.940 1.00 0.00 C ATOM 1588 C ILE A 101 -2.458 -6.372 17.969 1.00 0.00 C ATOM 1589 O ILE A 101 -3.403 -7.160 18.082 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.655 -5.853 15.589 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.088 -6.138 15.039 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.592 -6.184 14.514 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.482 -5.330 13.821 1.00 0.00 C ATOM 0 H ILE A 101 -1.980 -8.509 16.239 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.396 -6.248 17.295 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.607 -4.790 15.825 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.161 -7.197 14.792 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.810 -5.945 15.833 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.820 -5.640 13.598 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.394 -5.891 14.875 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.601 -7.255 14.311 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.493 -5.600 13.516 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.448 -4.268 14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.789 -5.539 13.006 1.00 0.00 H new ATOM 1605 N GLU A 102 -2.323 -5.294 18.747 1.00 0.00 N ATOM 1606 CA GLU A 102 -3.367 -4.859 19.678 1.00 0.00 C ATOM 1607 C GLU A 102 -3.800 -3.441 19.298 1.00 0.00 C ATOM 1608 O GLU A 102 -2.965 -2.543 19.183 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.895 -4.924 21.155 1.00 0.00 C ATOM 1610 CG GLU A 102 -4.020 -4.579 22.158 1.00 0.00 C ATOM 1611 CD GLU A 102 -3.588 -4.509 23.627 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.592 -3.824 23.925 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -4.257 -5.118 24.493 1.00 0.00 O ATOM 0 H GLU A 102 -1.492 -4.702 18.749 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.216 -5.539 19.599 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.519 -5.925 21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.063 -4.234 21.297 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.453 -3.619 21.877 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.810 -5.324 22.064 1.00 0.00 H new ATOM 1620 N THR A 103 -5.108 -3.279 19.091 1.00 0.00 N ATOM 1621 CA THR A 103 -5.738 -2.020 18.670 1.00 0.00 C ATOM 1622 C THR A 103 -7.265 -2.195 18.719 1.00 0.00 C ATOM 1623 O THR A 103 -7.759 -3.319 18.874 1.00 0.00 O ATOM 1624 CB THR A 103 -5.296 -1.589 17.216 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.888 -0.324 16.863 1.00 0.00 O ATOM 1626 CG2 THR A 103 -5.673 -2.645 16.155 1.00 0.00 C ATOM 0 H THR A 103 -5.779 -4.038 19.214 1.00 0.00 H new ATOM 0 HA THR A 103 -5.417 -1.231 19.350 1.00 0.00 H new ATOM 0 HB THR A 103 -4.210 -1.497 17.230 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.216 -0.362 15.940 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.349 -2.304 15.172 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.183 -3.589 16.392 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.754 -2.788 16.152 1.00 0.00 H new ATOM 1634 N ASP A 104 -8.006 -1.085 18.645 1.00 0.00 N ATOM 1635 CA ASP A 104 -9.464 -1.105 18.362 1.00 0.00 C ATOM 1636 C ASP A 104 -9.709 -0.722 16.889 1.00 0.00 C ATOM 1637 O ASP A 104 -10.593 -1.275 16.225 1.00 0.00 O ATOM 1638 CB ASP A 104 -10.235 -0.146 19.311 1.00 0.00 C ATOM 1639 CG ASP A 104 -9.884 1.343 19.123 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -8.698 1.704 19.300 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -10.780 2.151 18.795 1.00 0.00 O ATOM 0 H ASP A 104 -7.625 -0.148 18.777 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.838 -2.113 18.539 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.305 -0.279 19.153 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.028 -0.429 20.343 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.887 0.217 16.387 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.997 0.764 15.025 1.00 0.00 C ATOM 1648 C GLU A 105 -8.048 0.006 14.075 1.00 0.00 C ATOM 1649 O GLU A 105 -6.840 0.247 14.049 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.723 2.301 15.037 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.425 2.743 15.764 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.126 4.253 15.664 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.482 4.884 14.639 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -6.519 4.815 16.602 1.00 0.00 O ATOM 0 H GLU A 105 -8.119 0.621 16.923 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.012 0.622 14.653 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.679 2.653 14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.570 2.800 15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.500 2.468 16.816 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.583 2.189 15.349 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.609 -0.963 13.337 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.847 -1.782 12.373 1.00 0.00 C ATOM 1663 C ILE A 106 -7.658 -1.029 11.030 1.00 0.00 C ATOM 1664 O ILE A 106 -6.610 -1.154 10.387 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.537 -3.181 12.132 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.682 -4.080 11.179 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -9.988 -3.029 11.606 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.346 -4.513 11.746 1.00 0.00 C ATOM 0 H ILE A 106 -9.599 -1.203 13.388 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.863 -1.964 12.806 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.595 -3.679 13.100 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.259 -4.969 10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.508 -3.538 10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.425 -4.016 11.454 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.583 -2.477 12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.977 -2.487 10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.824 -5.132 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.744 -3.633 11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.507 -5.087 12.659 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.649 -0.181 10.676 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.719 0.459 9.352 1.00 0.00 C ATOM 1682 C GLY A 107 -7.585 1.450 9.063 1.00 0.00 C ATOM 1683 O GLY A 107 -7.332 1.785 7.903 1.00 0.00 O ATOM 0 H GLY A 107 -9.416 0.075 11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.710 -0.317 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.672 0.981 9.265 1.00 0.00 H new ATOM 1687 N THR A 108 -6.906 1.920 10.120 1.00 0.00 N ATOM 1688 CA THR A 108 -5.798 2.888 10.000 1.00 0.00 C ATOM 1689 C THR A 108 -4.447 2.181 9.749 1.00 0.00 C ATOM 1690 O THR A 108 -3.534 2.763 9.143 1.00 0.00 O ATOM 1691 CB THR A 108 -5.718 3.789 11.280 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.694 4.786 11.141 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.459 2.977 12.557 1.00 0.00 C ATOM 0 H THR A 108 -7.106 1.643 11.081 1.00 0.00 H new ATOM 0 HA THR A 108 -6.003 3.520 9.136 1.00 0.00 H new ATOM 0 HB THR A 108 -6.692 4.269 11.376 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.663 5.338 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.413 3.650 13.413 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.267 2.260 12.702 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.513 2.444 12.463 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.347 0.905 10.175 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.062 0.173 10.254 1.00 0.00 C ATOM 1703 C LEU A 109 -3.090 -1.184 9.500 1.00 0.00 C ATOM 1704 O LEU A 109 -2.112 -1.940 9.554 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.669 0.037 11.764 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.825 -0.355 12.763 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.104 -1.861 12.777 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.559 0.168 14.195 1.00 0.00 C ATOM 0 H LEU A 109 -5.151 0.353 10.473 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.289 0.741 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.881 -0.712 11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.243 0.985 12.092 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.722 0.138 12.389 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.908 -2.076 13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.399 -2.186 11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.204 -2.395 13.081 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.381 -0.126 14.848 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.628 -0.257 14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.481 1.255 14.177 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.210 -1.468 8.800 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.352 -2.628 7.890 1.00 0.00 C ATOM 1722 C LEU A 110 -5.631 -2.451 7.038 1.00 0.00 C ATOM 1723 O LEU A 110 -6.701 -2.128 7.570 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.393 -3.972 8.680 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.554 -5.275 7.833 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.424 -5.429 6.792 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.662 -6.527 8.741 1.00 0.00 C ATOM 0 H LEU A 110 -5.051 -0.893 8.851 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.482 -2.669 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.474 -4.054 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.217 -3.924 9.392 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.488 -5.185 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.574 -6.348 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.437 -4.577 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.462 -5.471 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.773 -7.417 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.760 -6.616 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.529 -6.429 9.394 1.00 0.00 H new ATOM 1739 N THR A 111 -5.503 -2.672 5.714 1.00 0.00 N ATOM 1740 CA THR A 111 -6.589 -2.455 4.741 1.00 0.00 C ATOM 1741 C THR A 111 -7.353 -3.770 4.464 1.00 0.00 C ATOM 1742 O THR A 111 -6.734 -4.794 4.152 1.00 0.00 O ATOM 1743 CB THR A 111 -6.027 -1.881 3.398 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.144 -0.781 3.669 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.171 -1.407 2.484 1.00 0.00 C ATOM 0 H THR A 111 -4.639 -3.008 5.289 1.00 0.00 H new ATOM 0 HA THR A 111 -7.279 -1.731 5.174 1.00 0.00 H new ATOM 0 HB THR A 111 -5.480 -2.675 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.794 -0.427 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.756 -1.012 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.828 -2.247 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.740 -0.626 2.988 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.705 -3.720 4.556 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.582 -4.918 4.486 1.00 0.00 C ATOM 1755 C LEU A 112 -10.759 -4.699 3.520 1.00 0.00 C ATOM 1756 O LEU A 112 -11.340 -3.618 3.497 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.121 -5.233 5.899 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.027 -5.457 6.990 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -9.597 -5.267 8.387 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.347 -6.830 6.842 1.00 0.00 C ATOM 0 H LEU A 112 -9.219 -2.848 4.681 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.993 -5.755 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.766 -4.413 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.744 -6.126 5.843 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.257 -4.700 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.812 -5.429 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.985 -4.253 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.403 -5.982 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.592 -6.948 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.094 -7.618 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.873 -6.898 5.863 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.097 -5.741 2.737 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.250 -5.740 1.804 1.00 0.00 C ATOM 1774 C VAL A 113 -13.560 -6.001 2.573 1.00 0.00 C ATOM 1775 O VAL A 113 -14.634 -5.544 2.167 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.093 -6.813 0.642 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -10.941 -6.448 -0.319 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -11.887 -8.243 1.196 1.00 0.00 C ATOM 0 H VAL A 113 -10.575 -6.617 2.731 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.281 -4.754 1.341 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.028 -6.798 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.865 -7.205 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.140 -5.477 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.004 -6.404 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.784 -8.943 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.985 -8.270 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.746 -8.525 1.805 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.437 -6.746 3.690 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.562 -7.108 4.567 1.00 0.00 C ATOM 1790 C ASP A 114 -15.115 -5.862 5.294 1.00 0.00 C ATOM 1791 O ASP A 114 -16.319 -5.582 5.251 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.093 -8.180 5.591 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.176 -8.575 6.617 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -15.269 -7.928 7.688 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.935 -9.530 6.363 1.00 0.00 O ATOM 0 H ASP A 114 -12.542 -7.116 4.010 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.368 -7.521 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.775 -9.071 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.220 -7.803 6.124 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.209 -5.143 5.977 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.542 -3.918 6.730 1.00 0.00 C ATOM 1802 C GLN A 115 -14.920 -2.759 5.769 1.00 0.00 C ATOM 1803 O GLN A 115 -14.346 -2.668 4.673 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.345 -3.530 7.644 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.045 -4.563 8.750 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.154 -4.687 9.796 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -14.132 -4.006 10.821 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -15.136 -5.544 9.545 1.00 0.00 N ATOM 0 H GLN A 115 -13.221 -5.394 6.024 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.413 -4.110 7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.455 -3.403 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.552 -2.565 8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.882 -5.537 8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.116 -4.287 9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.126 -6.094 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.901 -5.652 10.211 1.00 0.00 H new