USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 25 GLN : amide:sc= -0.372 K(o=-0.47,f=-3.2!) USER MOD Set 1.2: A 37 MET CE :methyl -154:sc= -0.0941 (180deg=-0.686) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 91:sc= 0.163 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.226 (180deg=-0.858) USER MOD Single : A 46 ASN : amide:sc= 0.0149 X(o=0.015,f=-0.017) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00433 USER MOD Single : A 50 ASN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -30:sc= -1.6 USER MOD Single : A 54 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.023) USER MOD Single : A 55 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.48) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0347 (180deg=-0.264) USER MOD Single : A 68 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.97) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -3.53 K(o=-3.5,f=-6.6!) USER MOD Single : A 76 THR OG1 : rot 33:sc= 0.366 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -2.61! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.523 20.651 -1.604 1.00 0.00 N ATOM 88 CA LYS A 8 6.306 19.641 -2.303 1.00 0.00 C ATOM 89 C LYS A 8 7.126 18.784 -1.341 1.00 0.00 C ATOM 90 O LYS A 8 7.417 17.625 -1.640 1.00 0.00 O ATOM 91 CB LYS A 8 7.218 20.294 -3.350 1.00 0.00 C ATOM 92 CG LYS A 8 8.474 20.936 -2.776 1.00 0.00 C ATOM 93 CD LYS A 8 9.736 20.347 -3.385 1.00 0.00 C ATOM 94 CE LYS A 8 10.986 20.892 -2.712 1.00 0.00 C ATOM 95 NZ LYS A 8 12.225 20.267 -3.251 1.00 0.00 N ATOM 0 HA LYS A 8 5.603 18.980 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.511 19.540 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.649 21.053 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.449 22.010 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.492 20.797 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.714 19.261 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.767 20.574 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.033 21.972 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.927 20.714 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.054 20.666 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.192 19.240 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.295 20.459 -4.271 1.00 0.00 H new ATOM 109 N ASP A 9 7.508 19.337 -0.191 1.00 0.00 N ATOM 110 CA ASP A 9 8.297 18.560 0.759 1.00 0.00 C ATOM 111 C ASP A 9 7.419 17.538 1.472 1.00 0.00 C ATOM 112 O ASP A 9 7.790 16.367 1.593 1.00 0.00 O ATOM 113 CB ASP A 9 9.004 19.484 1.765 1.00 0.00 C ATOM 114 CG ASP A 9 8.201 19.727 3.032 1.00 0.00 C ATOM 115 OD1 ASP A 9 8.020 18.771 3.814 1.00 0.00 O ATOM 116 OD2 ASP A 9 7.759 20.875 3.244 1.00 0.00 O ATOM 0 H ASP A 9 7.292 20.291 0.099 1.00 0.00 H new ATOM 0 HA ASP A 9 9.066 18.018 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.967 19.048 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.209 20.441 1.285 1.00 0.00 H new ATOM 121 N LEU A 10 6.248 17.968 1.939 1.00 0.00 N ATOM 122 CA LEU A 10 5.341 17.065 2.629 1.00 0.00 C ATOM 123 C LEU A 10 4.954 15.916 1.716 1.00 0.00 C ATOM 124 O LEU A 10 5.036 14.749 2.102 1.00 0.00 O ATOM 125 CB LEU A 10 4.092 17.815 3.089 1.00 0.00 C ATOM 126 CG LEU A 10 3.916 17.960 4.607 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.443 18.002 4.951 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.595 16.825 5.366 1.00 0.00 C ATOM 0 H LEU A 10 5.911 18.927 1.851 1.00 0.00 H new ATOM 0 HA LEU A 10 5.849 16.663 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.108 18.812 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.217 17.303 2.689 1.00 0.00 H new ATOM 0 HG LEU A 10 4.392 18.893 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.324 18.105 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.977 18.851 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.966 17.080 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.447 16.964 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.162 15.873 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.662 16.826 5.144 1.00 0.00 H new ATOM 140 N ILE A 11 4.547 16.246 0.494 1.00 0.00 N ATOM 141 CA ILE A 11 4.170 15.220 -0.463 1.00 0.00 C ATOM 142 C ILE A 11 5.334 14.256 -0.653 1.00 0.00 C ATOM 143 O ILE A 11 5.168 13.045 -0.538 1.00 0.00 O ATOM 144 CB ILE A 11 3.720 15.823 -1.821 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.735 14.880 -2.515 1.00 0.00 C ATOM 146 CG2 ILE A 11 4.899 16.126 -2.738 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.587 15.596 -3.193 1.00 0.00 C ATOM 0 H ILE A 11 4.471 17.203 0.149 1.00 0.00 H new ATOM 0 HA ILE A 11 3.311 14.680 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 11 3.226 16.771 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.272 14.288 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.334 14.182 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.533 16.546 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.562 16.843 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.447 15.206 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.929 14.865 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.025 16.166 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.978 16.274 -3.952 1.00 0.00 H new ATOM 159 N SER A 12 6.514 14.800 -0.940 1.00 0.00 N ATOM 160 CA SER A 12 7.704 13.983 -1.138 1.00 0.00 C ATOM 161 C SER A 12 7.907 13.007 0.018 1.00 0.00 C ATOM 162 O SER A 12 8.401 11.898 -0.178 1.00 0.00 O ATOM 163 CB SER A 12 8.939 14.872 -1.288 1.00 0.00 C ATOM 164 OG SER A 12 9.087 15.319 -2.625 1.00 0.00 O ATOM 0 H SER A 12 6.670 15.803 -1.040 1.00 0.00 H new ATOM 0 HA SER A 12 7.562 13.405 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.856 15.730 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.828 14.319 -0.986 1.00 0.00 H new ATOM 0 HG SER A 12 8.616 16.171 -2.739 1.00 0.00 H new ATOM 170 N ALA A 13 7.528 13.422 1.224 1.00 0.00 N ATOM 171 CA ALA A 13 7.682 12.564 2.398 1.00 0.00 C ATOM 172 C ALA A 13 6.688 11.411 2.368 1.00 0.00 C ATOM 173 O ALA A 13 7.059 10.252 2.556 1.00 0.00 O ATOM 174 CB ALA A 13 7.530 13.375 3.676 1.00 0.00 C ATOM 0 H ALA A 13 7.117 14.336 1.414 1.00 0.00 H new ATOM 0 HA ALA A 13 8.686 12.140 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.648 12.720 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.292 14.154 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.541 13.833 3.701 1.00 0.00 H new ATOM 180 N GLY A 14 5.433 11.730 2.090 1.00 0.00 N ATOM 181 CA GLY A 14 4.412 10.698 1.990 1.00 0.00 C ATOM 182 C GLY A 14 4.679 9.814 0.790 1.00 0.00 C ATOM 183 O GLY A 14 4.328 8.636 0.766 1.00 0.00 O ATOM 0 H GLY A 14 5.100 12.681 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.402 10.097 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.428 11.157 1.901 1.00 0.00 H new ATOM 187 N LEU A 15 5.327 10.416 -0.199 1.00 0.00 N ATOM 188 CA LEU A 15 5.687 9.726 -1.422 1.00 0.00 C ATOM 189 C LEU A 15 6.803 8.732 -1.153 1.00 0.00 C ATOM 190 O LEU A 15 6.635 7.530 -1.346 1.00 0.00 O ATOM 191 CB LEU A 15 6.106 10.728 -2.495 1.00 0.00 C ATOM 192 CG LEU A 15 5.046 11.029 -3.557 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.668 9.764 -4.311 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.819 11.661 -2.918 1.00 0.00 C ATOM 0 H LEU A 15 5.615 11.394 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 15 4.817 9.180 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.384 11.662 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.999 10.350 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 15 5.465 11.738 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.913 9.999 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.551 9.355 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.268 9.030 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.075 11.869 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.399 10.976 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.103 12.592 -2.427 1.00 0.00 H new ATOM 206 N LYS A 16 7.943 9.240 -0.706 1.00 0.00 N ATOM 207 CA LYS A 16 9.084 8.386 -0.410 1.00 0.00 C ATOM 208 C LYS A 16 8.706 7.337 0.627 1.00 0.00 C ATOM 209 O LYS A 16 9.152 6.192 0.561 1.00 0.00 O ATOM 210 CB LYS A 16 10.264 9.227 0.085 1.00 0.00 C ATOM 211 CG LYS A 16 11.427 8.402 0.613 1.00 0.00 C ATOM 212 CD LYS A 16 12.561 9.287 1.106 1.00 0.00 C ATOM 213 CE LYS A 16 13.909 8.804 0.595 1.00 0.00 C ATOM 214 NZ LYS A 16 14.864 9.929 0.399 1.00 0.00 N ATOM 0 H LYS A 16 8.102 10.234 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 16 9.383 7.875 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.618 9.856 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.917 9.895 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.082 7.764 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.794 7.744 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.393 10.312 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.567 9.299 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.330 8.089 1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.772 8.276 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.771 9.558 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.474 10.599 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.015 10.418 1.305 1.00 0.00 H new ATOM 228 N GLU A 17 7.873 7.737 1.578 1.00 0.00 N ATOM 229 CA GLU A 17 7.424 6.833 2.626 1.00 0.00 C ATOM 230 C GLU A 17 6.606 5.693 2.038 1.00 0.00 C ATOM 231 O GLU A 17 6.847 4.524 2.340 1.00 0.00 O ATOM 232 CB GLU A 17 6.594 7.591 3.664 1.00 0.00 C ATOM 233 CG GLU A 17 7.433 8.276 4.732 1.00 0.00 C ATOM 234 CD GLU A 17 6.588 8.883 5.835 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.940 9.920 5.583 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.576 8.321 6.950 1.00 0.00 O ATOM 0 H GLU A 17 7.495 8.682 1.645 1.00 0.00 H new ATOM 0 HA GLU A 17 8.304 6.414 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.987 8.340 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.906 6.896 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.125 7.553 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.036 9.057 4.270 1.00 0.00 H new ATOM 243 N PHE A 18 5.632 6.038 1.204 1.00 0.00 N ATOM 244 CA PHE A 18 4.774 5.034 0.587 1.00 0.00 C ATOM 245 C PHE A 18 5.561 4.174 -0.397 1.00 0.00 C ATOM 246 O PHE A 18 5.400 2.957 -0.430 1.00 0.00 O ATOM 247 CB PHE A 18 3.589 5.704 -0.119 1.00 0.00 C ATOM 248 CG PHE A 18 2.283 4.948 -0.017 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.004 4.124 1.067 1.00 0.00 C ATOM 250 CD2 PHE A 18 1.328 5.073 -1.015 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.803 3.443 1.147 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.126 4.395 -0.937 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.136 3.578 0.145 1.00 0.00 C ATOM 0 H PHE A 18 5.417 7.000 0.941 1.00 0.00 H new ATOM 0 HA PHE A 18 4.391 4.385 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.450 6.700 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.837 5.833 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.733 4.014 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.526 5.709 -1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.600 2.805 1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.608 4.504 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.074 3.046 0.207 1.00 0.00 H new ATOM 263 N SER A 19 6.416 4.805 -1.192 1.00 0.00 N ATOM 264 CA SER A 19 7.220 4.078 -2.169 1.00 0.00 C ATOM 265 C SER A 19 8.029 2.974 -1.496 1.00 0.00 C ATOM 266 O SER A 19 8.016 1.820 -1.933 1.00 0.00 O ATOM 267 CB SER A 19 8.159 5.038 -2.902 1.00 0.00 C ATOM 268 OG SER A 19 7.572 5.512 -4.101 1.00 0.00 O ATOM 0 H SER A 19 6.571 5.813 -1.181 1.00 0.00 H new ATOM 0 HA SER A 19 6.543 3.619 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.400 5.881 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.097 4.531 -3.129 1.00 0.00 H new ATOM 0 HG SER A 19 8.192 6.125 -4.549 1.00 0.00 H new ATOM 274 N VAL A 20 8.733 3.336 -0.429 1.00 0.00 N ATOM 275 CA VAL A 20 9.553 2.384 0.307 1.00 0.00 C ATOM 276 C VAL A 20 8.701 1.324 0.998 1.00 0.00 C ATOM 277 O VAL A 20 9.075 0.154 1.046 1.00 0.00 O ATOM 278 CB VAL A 20 10.420 3.094 1.364 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.391 2.115 2.006 1.00 0.00 C ATOM 280 CG2 VAL A 20 11.167 4.266 0.746 1.00 0.00 C ATOM 0 H VAL A 20 8.751 4.285 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 20 10.199 1.899 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 20 9.762 3.482 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.994 2.636 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.833 1.313 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.043 1.694 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.773 4.754 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.813 3.905 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.451 4.980 0.340 1.00 0.00 H new ATOM 290 N LEU A 21 7.563 1.735 1.547 1.00 0.00 N ATOM 291 CA LEU A 21 6.678 0.808 2.248 1.00 0.00 C ATOM 292 C LEU A 21 6.114 -0.251 1.301 1.00 0.00 C ATOM 293 O LEU A 21 6.096 -1.438 1.624 1.00 0.00 O ATOM 294 CB LEU A 21 5.536 1.584 2.911 1.00 0.00 C ATOM 295 CG LEU A 21 4.445 0.725 3.556 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.706 0.558 5.047 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.076 1.344 3.319 1.00 0.00 C ATOM 0 H LEU A 21 7.232 2.699 1.521 1.00 0.00 H new ATOM 0 HA LEU A 21 7.261 0.294 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.959 2.237 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.073 2.227 2.162 1.00 0.00 H new ATOM 0 HG LEU A 21 4.464 -0.262 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.920 -0.055 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.671 0.073 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.714 1.537 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.310 0.722 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.047 2.342 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.888 1.412 2.247 1.00 0.00 H new ATOM 309 N LEU A 22 5.644 0.186 0.137 1.00 0.00 N ATOM 310 CA LEU A 22 5.069 -0.734 -0.842 1.00 0.00 C ATOM 311 C LEU A 22 6.129 -1.690 -1.385 1.00 0.00 C ATOM 312 O LEU A 22 5.874 -2.884 -1.546 1.00 0.00 O ATOM 313 CB LEU A 22 4.416 0.034 -1.997 1.00 0.00 C ATOM 314 CG LEU A 22 3.587 1.254 -1.578 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.792 2.403 -2.552 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.114 0.900 -1.481 1.00 0.00 C ATOM 0 H LEU A 22 5.649 1.164 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 22 4.302 -1.319 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.197 0.363 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.773 -0.650 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 22 3.929 1.570 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.195 3.259 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.846 2.682 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.483 2.093 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.547 1.782 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.759 0.552 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.977 0.112 -0.740 1.00 0.00 H new ATOM 328 N ASN A 23 7.313 -1.158 -1.671 1.00 0.00 N ATOM 329 CA ASN A 23 8.405 -1.971 -2.201 1.00 0.00 C ATOM 330 C ASN A 23 9.161 -2.704 -1.092 1.00 0.00 C ATOM 331 O ASN A 23 9.892 -3.658 -1.359 1.00 0.00 O ATOM 332 CB ASN A 23 9.377 -1.094 -2.994 1.00 0.00 C ATOM 333 CG ASN A 23 10.158 -1.884 -4.027 1.00 0.00 C ATOM 334 OD1 ASN A 23 9.610 -2.310 -5.044 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.445 -2.084 -3.769 1.00 0.00 N ATOM 0 H ASN A 23 7.542 -0.172 -1.546 1.00 0.00 H new ATOM 0 HA ASN A 23 7.965 -2.721 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.821 -0.299 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.073 -0.614 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.021 -2.609 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.857 -1.712 -2.913 1.00 0.00 H new ATOM 342 N GLN A 24 9.000 -2.247 0.148 1.00 0.00 N ATOM 343 CA GLN A 24 9.690 -2.860 1.283 1.00 0.00 C ATOM 344 C GLN A 24 8.711 -3.451 2.297 1.00 0.00 C ATOM 345 O GLN A 24 9.065 -3.644 3.460 1.00 0.00 O ATOM 346 CB GLN A 24 10.594 -1.835 1.972 1.00 0.00 C ATOM 347 CG GLN A 24 11.678 -2.460 2.835 1.00 0.00 C ATOM 348 CD GLN A 24 12.558 -1.424 3.508 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.726 -1.261 3.154 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.001 -0.720 4.486 1.00 0.00 N ATOM 0 H GLN A 24 8.401 -1.458 0.393 1.00 0.00 H new ATOM 0 HA GLN A 24 10.296 -3.676 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.062 -1.208 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.981 -1.181 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.214 -3.087 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.297 -3.112 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.029 -0.889 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.545 -0.010 4.977 1.00 0.00 H new ATOM 359 N GLN A 25 7.486 -3.743 1.867 1.00 0.00 N ATOM 360 CA GLN A 25 6.481 -4.317 2.762 1.00 0.00 C ATOM 361 C GLN A 25 7.043 -5.515 3.526 1.00 0.00 C ATOM 362 O GLN A 25 7.207 -5.452 4.743 1.00 0.00 O ATOM 363 CB GLN A 25 5.243 -4.736 1.965 1.00 0.00 C ATOM 364 CG GLN A 25 3.992 -3.947 2.323 1.00 0.00 C ATOM 365 CD GLN A 25 3.363 -4.410 3.622 1.00 0.00 C ATOM 366 OE1 GLN A 25 4.053 -4.892 4.522 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.047 -4.267 3.727 1.00 0.00 N ATOM 0 H GLN A 25 7.165 -3.593 0.910 1.00 0.00 H new ATOM 0 HA GLN A 25 6.199 -3.554 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.447 -4.614 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.054 -5.796 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.244 -2.890 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.264 -4.042 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.515 -3.863 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.568 -4.561 4.578 1.00 0.00 H new ATOM 376 N VAL A 26 7.326 -6.594 2.784 1.00 0.00 N ATOM 377 CA VAL A 26 7.876 -7.851 3.326 1.00 0.00 C ATOM 378 C VAL A 26 6.936 -9.021 3.035 1.00 0.00 C ATOM 379 O VAL A 26 5.785 -9.031 3.469 1.00 0.00 O ATOM 380 CB VAL A 26 8.169 -7.801 4.849 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.464 -9.193 5.394 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.335 -6.865 5.138 1.00 0.00 C ATOM 0 H VAL A 26 7.178 -6.622 1.775 1.00 0.00 H new ATOM 0 HA VAL A 26 8.831 -7.993 2.820 1.00 0.00 H new ATOM 0 HB VAL A 26 7.280 -7.419 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.666 -9.130 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.603 -9.840 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.334 -9.606 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.526 -6.842 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.225 -7.221 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.090 -5.861 4.792 1.00 0.00 H new ATOM 392 N PHE A 27 7.442 -10.005 2.295 1.00 0.00 N ATOM 393 CA PHE A 27 6.660 -11.185 1.940 1.00 0.00 C ATOM 394 C PHE A 27 7.098 -12.394 2.754 1.00 0.00 C ATOM 395 O PHE A 27 8.113 -13.024 2.457 1.00 0.00 O ATOM 396 CB PHE A 27 6.801 -11.479 0.447 1.00 0.00 C ATOM 397 CG PHE A 27 6.507 -10.289 -0.418 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.430 -9.265 -0.546 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.305 -10.192 -1.100 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.160 -8.165 -1.338 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.029 -9.096 -1.893 1.00 0.00 C ATOM 402 CZ PHE A 27 5.958 -8.080 -2.012 1.00 0.00 C ATOM 0 H PHE A 27 8.394 -10.007 1.929 1.00 0.00 H new ATOM 0 HA PHE A 27 5.614 -10.981 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.815 -11.826 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.127 -12.292 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.372 -9.326 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.575 -10.983 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.888 -7.373 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.088 -9.033 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.744 -7.221 -2.631 1.00 0.00 H new ATOM 452 N LEU A 31 1.931 -15.778 4.244 1.00 0.00 N ATOM 453 CA LEU A 31 1.424 -14.667 3.444 1.00 0.00 C ATOM 454 C LEU A 31 0.058 -14.210 3.939 1.00 0.00 C ATOM 455 O LEU A 31 -0.814 -15.026 4.235 1.00 0.00 O ATOM 456 CB LEU A 31 1.344 -15.059 1.967 1.00 0.00 C ATOM 457 CG LEU A 31 2.661 -15.550 1.360 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.494 -16.938 0.763 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.158 -14.576 0.306 1.00 0.00 C ATOM 0 HA LEU A 31 2.121 -13.836 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.594 -15.842 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.996 -14.199 1.396 1.00 0.00 H new ATOM 0 HG LEU A 31 3.403 -15.606 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.442 -17.267 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.185 -17.634 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.736 -16.909 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.095 -14.942 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.415 -14.487 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.321 -13.599 0.761 1.00 0.00 H new ATOM 471 N VAL A 32 -0.119 -12.896 4.021 1.00 0.00 N ATOM 472 CA VAL A 32 -1.376 -12.321 4.473 1.00 0.00 C ATOM 473 C VAL A 32 -2.397 -12.300 3.338 1.00 0.00 C ATOM 474 O VAL A 32 -2.027 -12.352 2.164 1.00 0.00 O ATOM 475 CB VAL A 32 -1.167 -10.892 5.026 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.961 -9.887 3.900 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.334 -10.485 5.910 1.00 0.00 C ATOM 0 H VAL A 32 0.595 -12.209 3.779 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.758 -12.948 5.278 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.262 -10.896 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.817 -8.892 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.081 -10.166 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.837 -9.883 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.169 -9.477 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.256 -10.507 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.416 -11.179 6.747 1.00 0.00 H new ATOM 487 N SER A 33 -3.679 -12.252 3.685 1.00 0.00 N ATOM 488 CA SER A 33 -4.735 -12.260 2.680 1.00 0.00 C ATOM 489 C SER A 33 -4.926 -10.882 2.060 1.00 0.00 C ATOM 490 O SER A 33 -4.345 -9.894 2.512 1.00 0.00 O ATOM 491 CB SER A 33 -6.049 -12.739 3.300 1.00 0.00 C ATOM 492 OG SER A 33 -6.827 -13.456 2.356 1.00 0.00 O ATOM 0 H SER A 33 -4.010 -12.207 4.649 1.00 0.00 H new ATOM 0 HA SER A 33 -4.436 -12.947 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.839 -13.375 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.615 -11.883 3.667 1.00 0.00 H new ATOM 0 HG SER A 33 -7.661 -13.753 2.777 1.00 0.00 H new ATOM 498 N GLU A 34 -5.738 -10.831 1.009 1.00 0.00 N ATOM 499 CA GLU A 34 -6.005 -9.581 0.302 1.00 0.00 C ATOM 500 C GLU A 34 -6.866 -8.645 1.140 1.00 0.00 C ATOM 501 O GLU A 34 -6.731 -7.426 1.056 1.00 0.00 O ATOM 502 CB GLU A 34 -6.678 -9.836 -1.058 1.00 0.00 C ATOM 503 CG GLU A 34 -7.346 -11.197 -1.188 1.00 0.00 C ATOM 504 CD GLU A 34 -8.325 -11.258 -2.344 1.00 0.00 C ATOM 505 OE1 GLU A 34 -9.502 -10.892 -2.146 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.914 -11.671 -3.449 1.00 0.00 O ATOM 0 H GLU A 34 -6.224 -11.642 0.627 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.042 -9.103 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.425 -9.061 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.929 -9.737 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.581 -11.962 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.869 -11.431 -0.261 1.00 0.00 H new ATOM 513 N GLU A 35 -7.746 -9.215 1.956 1.00 0.00 N ATOM 514 CA GLU A 35 -8.613 -8.413 2.809 1.00 0.00 C ATOM 515 C GLU A 35 -7.781 -7.635 3.822 1.00 0.00 C ATOM 516 O GLU A 35 -8.092 -6.488 4.153 1.00 0.00 O ATOM 517 CB GLU A 35 -9.625 -9.305 3.532 1.00 0.00 C ATOM 518 CG GLU A 35 -11.001 -8.674 3.668 1.00 0.00 C ATOM 519 CD GLU A 35 -12.042 -9.650 4.178 1.00 0.00 C ATOM 520 OE1 GLU A 35 -11.887 -10.142 5.316 1.00 0.00 O ATOM 521 OE2 GLU A 35 -13.011 -9.924 3.440 1.00 0.00 O ATOM 0 H GLU A 35 -7.877 -10.223 2.044 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.157 -7.706 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.718 -10.247 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.243 -9.543 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.941 -7.824 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.316 -8.286 2.699 1.00 0.00 H new ATOM 528 N ASP A 36 -6.707 -8.261 4.292 1.00 0.00 N ATOM 529 CA ASP A 36 -5.816 -7.622 5.248 1.00 0.00 C ATOM 530 C ASP A 36 -5.036 -6.511 4.564 1.00 0.00 C ATOM 531 O ASP A 36 -4.872 -5.422 5.110 1.00 0.00 O ATOM 532 CB ASP A 36 -4.854 -8.644 5.852 1.00 0.00 C ATOM 533 CG ASP A 36 -4.276 -8.184 7.176 1.00 0.00 C ATOM 534 OD1 ASP A 36 -4.951 -8.358 8.211 1.00 0.00 O ATOM 535 OD2 ASP A 36 -3.148 -7.648 7.176 1.00 0.00 O ATOM 0 H ASP A 36 -6.435 -9.207 4.026 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.415 -7.196 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.377 -9.590 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.042 -8.833 5.150 1.00 0.00 H new ATOM 540 N MET A 37 -4.569 -6.791 3.352 1.00 0.00 N ATOM 541 CA MET A 37 -3.823 -5.809 2.583 1.00 0.00 C ATOM 542 C MET A 37 -4.711 -4.611 2.276 1.00 0.00 C ATOM 543 O MET A 37 -4.295 -3.463 2.423 1.00 0.00 O ATOM 544 CB MET A 37 -3.303 -6.425 1.284 1.00 0.00 C ATOM 545 CG MET A 37 -2.501 -5.457 0.429 1.00 0.00 C ATOM 546 SD MET A 37 -0.789 -5.975 0.203 1.00 0.00 S ATOM 547 CE MET A 37 -0.252 -6.127 1.904 1.00 0.00 C ATOM 0 H MET A 37 -4.695 -7.689 2.884 1.00 0.00 H new ATOM 0 HA MET A 37 -2.968 -5.479 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.680 -7.286 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.148 -6.795 0.703 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.978 -5.360 -0.546 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.519 -4.470 0.892 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.827 -5.982 1.959 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.751 -5.373 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.504 -7.119 2.278 1.00 0.00 H new ATOM 557 N VAL A 38 -5.942 -4.890 1.860 1.00 0.00 N ATOM 558 CA VAL A 38 -6.896 -3.836 1.543 1.00 0.00 C ATOM 559 C VAL A 38 -7.101 -2.916 2.742 1.00 0.00 C ATOM 560 O VAL A 38 -7.066 -1.693 2.609 1.00 0.00 O ATOM 561 CB VAL A 38 -8.257 -4.415 1.106 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.236 -3.298 0.770 1.00 0.00 C ATOM 563 CG2 VAL A 38 -8.083 -5.352 -0.079 1.00 0.00 C ATOM 0 H VAL A 38 -6.301 -5.836 1.735 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.479 -3.265 0.713 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.668 -4.987 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.189 -3.729 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.387 -2.670 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.834 -2.694 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.054 -5.751 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.647 -4.805 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.423 -6.173 0.200 1.00 0.00 H new ATOM 573 N THR A 39 -7.311 -3.508 3.916 1.00 0.00 N ATOM 574 CA THR A 39 -7.514 -2.722 5.129 1.00 0.00 C ATOM 575 C THR A 39 -6.262 -1.909 5.455 1.00 0.00 C ATOM 576 O THR A 39 -6.343 -0.713 5.733 1.00 0.00 O ATOM 577 CB THR A 39 -7.904 -3.636 6.302 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.943 -3.050 7.064 1.00 0.00 O ATOM 579 CG2 THR A 39 -6.766 -3.950 7.254 1.00 0.00 C ATOM 0 H THR A 39 -7.345 -4.518 4.052 1.00 0.00 H new ATOM 0 HA THR A 39 -8.333 -2.023 4.960 1.00 0.00 H new ATOM 0 HB THR A 39 -8.218 -4.568 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.181 -3.645 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.127 -4.600 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.966 -4.453 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.386 -3.024 7.685 1.00 0.00 H new ATOM 587 N VAL A 40 -5.105 -2.565 5.411 1.00 0.00 N ATOM 588 CA VAL A 40 -3.840 -1.897 5.696 1.00 0.00 C ATOM 589 C VAL A 40 -3.611 -0.741 4.730 1.00 0.00 C ATOM 590 O VAL A 40 -3.188 0.343 5.132 1.00 0.00 O ATOM 591 CB VAL A 40 -2.652 -2.875 5.609 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.357 -2.187 6.015 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.906 -4.101 6.472 1.00 0.00 C ATOM 0 H VAL A 40 -5.018 -3.555 5.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.902 -1.513 6.714 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.551 -3.201 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.532 -2.896 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.168 -1.345 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.442 -1.827 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.057 -4.780 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.036 -3.795 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.807 -4.608 6.127 1.00 0.00 H new ATOM 603 N VAL A 41 -3.902 -0.976 3.453 1.00 0.00 N ATOM 604 CA VAL A 41 -3.737 0.049 2.435 1.00 0.00 C ATOM 605 C VAL A 41 -4.716 1.193 2.667 1.00 0.00 C ATOM 606 O VAL A 41 -4.331 2.362 2.664 1.00 0.00 O ATOM 607 CB VAL A 41 -3.945 -0.520 1.017 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.718 0.557 -0.035 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.024 -1.708 0.779 1.00 0.00 C ATOM 0 H VAL A 41 -4.253 -1.867 3.102 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.715 0.420 2.512 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.976 -0.863 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.870 0.134 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.422 1.374 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.699 0.936 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.184 -2.097 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.986 -1.391 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.241 -2.488 1.509 1.00 0.00 H new ATOM 619 N GLU A 42 -5.984 0.850 2.877 1.00 0.00 N ATOM 620 CA GLU A 42 -7.013 1.852 3.120 1.00 0.00 C ATOM 621 C GLU A 42 -6.642 2.712 4.323 1.00 0.00 C ATOM 622 O GLU A 42 -6.758 3.938 4.282 1.00 0.00 O ATOM 623 CB GLU A 42 -8.370 1.183 3.347 1.00 0.00 C ATOM 624 CG GLU A 42 -9.473 1.737 2.460 1.00 0.00 C ATOM 625 CD GLU A 42 -10.831 1.716 3.135 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.036 2.505 4.080 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.689 0.912 2.716 1.00 0.00 O ATOM 0 H GLU A 42 -6.321 -0.113 2.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.085 2.492 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.273 0.112 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.657 1.307 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.227 2.761 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.520 1.155 1.539 1.00 0.00 H new ATOM 634 N ASP A 43 -6.185 2.063 5.389 1.00 0.00 N ATOM 635 CA ASP A 43 -5.786 2.770 6.599 1.00 0.00 C ATOM 636 C ASP A 43 -4.670 3.763 6.292 1.00 0.00 C ATOM 637 O ASP A 43 -4.741 4.926 6.678 1.00 0.00 O ATOM 638 CB ASP A 43 -5.327 1.778 7.671 1.00 0.00 C ATOM 639 CG ASP A 43 -5.970 2.045 9.018 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.609 3.055 9.658 1.00 0.00 O ATOM 641 OD2 ASP A 43 -6.836 1.245 9.430 1.00 0.00 O ATOM 0 H ASP A 43 -6.082 1.049 5.439 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.649 3.319 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.568 0.764 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.243 1.832 7.772 1.00 0.00 H new ATOM 646 N TRP A 44 -3.647 3.294 5.580 1.00 0.00 N ATOM 647 CA TRP A 44 -2.518 4.139 5.204 1.00 0.00 C ATOM 648 C TRP A 44 -2.989 5.305 4.339 1.00 0.00 C ATOM 649 O TRP A 44 -2.525 6.436 4.488 1.00 0.00 O ATOM 650 CB TRP A 44 -1.482 3.324 4.424 1.00 0.00 C ATOM 651 CG TRP A 44 -0.679 2.382 5.271 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.425 2.490 6.608 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.016 1.190 4.828 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.355 1.437 7.025 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.620 0.626 5.952 1.00 0.00 C ATOM 656 CE3 TRP A 44 0.102 0.544 3.592 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.361 -0.551 5.874 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.838 -0.624 3.518 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.459 -1.161 4.653 1.00 0.00 C ATOM 0 H TRP A 44 -3.578 2.331 5.252 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.065 4.526 6.117 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.994 2.753 3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.802 4.010 3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.784 3.285 7.244 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.683 1.284 7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.373 0.951 2.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.841 -0.968 6.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.936 -1.131 2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.027 -2.075 4.563 1.00 0.00 H new ATOM 670 N MET A 45 -3.905 5.010 3.423 1.00 0.00 N ATOM 671 CA MET A 45 -4.437 6.017 2.514 1.00 0.00 C ATOM 672 C MET A 45 -5.279 7.052 3.252 1.00 0.00 C ATOM 673 O MET A 45 -5.160 8.252 2.997 1.00 0.00 O ATOM 674 CB MET A 45 -5.267 5.347 1.415 1.00 0.00 C ATOM 675 CG MET A 45 -5.951 6.328 0.477 1.00 0.00 C ATOM 676 SD MET A 45 -7.098 5.521 -0.658 1.00 0.00 S ATOM 677 CE MET A 45 -6.140 4.090 -1.150 1.00 0.00 C ATOM 0 H MET A 45 -4.296 4.077 3.291 1.00 0.00 H new ATOM 0 HA MET A 45 -3.593 6.538 2.062 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.619 4.693 0.832 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.024 4.715 1.879 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.490 7.071 1.065 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.195 6.863 -0.097 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.588 3.639 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.119 4.396 -1.376 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.130 3.363 -0.338 1.00 0.00 H new ATOM 687 N ASN A 46 -6.121 6.598 4.176 1.00 0.00 N ATOM 688 CA ASN A 46 -6.958 7.508 4.943 1.00 0.00 C ATOM 689 C ASN A 46 -6.111 8.258 5.960 1.00 0.00 C ATOM 690 O ASN A 46 -6.369 9.422 6.264 1.00 0.00 O ATOM 691 CB ASN A 46 -8.077 6.740 5.652 1.00 0.00 C ATOM 692 CG ASN A 46 -9.280 6.518 4.757 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.957 7.466 4.361 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.552 5.259 4.431 1.00 0.00 N ATOM 0 H ASN A 46 -6.240 5.612 4.409 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.412 8.225 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.696 5.776 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.385 7.290 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.349 5.049 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.964 4.503 4.782 1.00 0.00 H new ATOM 701 N PHE A 47 -5.086 7.582 6.468 1.00 0.00 N ATOM 702 CA PHE A 47 -4.185 8.185 7.436 1.00 0.00 C ATOM 703 C PHE A 47 -3.469 9.375 6.806 1.00 0.00 C ATOM 704 O PHE A 47 -3.310 10.418 7.437 1.00 0.00 O ATOM 705 CB PHE A 47 -3.174 7.144 7.946 1.00 0.00 C ATOM 706 CG PHE A 47 -1.739 7.593 7.895 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.270 8.562 8.766 1.00 0.00 C ATOM 708 CD2 PHE A 47 -0.865 7.046 6.970 1.00 0.00 C ATOM 709 CE1 PHE A 47 0.047 8.976 8.715 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.452 7.457 6.915 1.00 0.00 C ATOM 711 CZ PHE A 47 0.908 8.423 7.788 1.00 0.00 C ATOM 0 H PHE A 47 -4.861 6.618 6.224 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.763 8.540 8.289 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.425 6.886 8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.278 6.234 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.940 8.998 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.218 6.290 6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.403 9.732 9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.124 7.023 6.190 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.938 8.746 7.746 1.00 0.00 H new ATOM 721 N TYR A 48 -3.041 9.212 5.555 1.00 0.00 N ATOM 722 CA TYR A 48 -2.349 10.284 4.851 1.00 0.00 C ATOM 723 C TYR A 48 -3.312 11.413 4.509 1.00 0.00 C ATOM 724 O TYR A 48 -2.984 12.588 4.660 1.00 0.00 O ATOM 725 CB TYR A 48 -1.690 9.753 3.577 1.00 0.00 C ATOM 726 CG TYR A 48 -0.320 9.154 3.804 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.704 9.909 4.363 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.052 7.836 3.458 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.957 9.365 4.571 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.199 7.285 3.663 1.00 0.00 C ATOM 731 CZ TYR A 48 2.200 8.054 4.220 1.00 0.00 C ATOM 732 OH TYR A 48 3.447 7.509 4.426 1.00 0.00 O ATOM 0 H TYR A 48 -3.161 8.355 5.014 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.574 10.675 5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.337 8.998 3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.606 10.566 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.518 10.936 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.834 7.232 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.743 9.964 5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.392 6.258 3.389 1.00 0.00 H new ATOM 0 HH TYR A 48 3.450 6.576 4.125 1.00 0.00 H new ATOM 742 N ILE A 49 -4.501 11.051 4.043 1.00 0.00 N ATOM 743 CA ILE A 49 -5.510 12.038 3.680 1.00 0.00 C ATOM 744 C ILE A 49 -5.818 12.966 4.859 1.00 0.00 C ATOM 745 O ILE A 49 -5.720 14.188 4.742 1.00 0.00 O ATOM 746 CB ILE A 49 -6.805 11.345 3.188 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.715 11.075 1.685 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.042 12.178 3.500 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.578 12.332 0.855 1.00 0.00 C ATOM 0 H ILE A 49 -4.790 10.082 3.908 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.109 12.641 2.865 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.901 10.399 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.861 10.426 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.606 10.534 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.930 11.659 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.119 12.325 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.962 13.147 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.519 12.066 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.444 12.973 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.672 12.863 1.146 1.00 0.00 H new ATOM 761 N ASN A 50 -6.187 12.377 5.992 1.00 0.00 N ATOM 762 CA ASN A 50 -6.505 13.152 7.188 1.00 0.00 C ATOM 763 C ASN A 50 -5.256 13.822 7.754 1.00 0.00 C ATOM 764 O ASN A 50 -5.303 14.970 8.197 1.00 0.00 O ATOM 765 CB ASN A 50 -7.139 12.251 8.250 1.00 0.00 C ATOM 766 CG ASN A 50 -8.592 11.937 7.953 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.498 12.514 8.554 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.820 11.019 7.023 1.00 0.00 N ATOM 0 H ASN A 50 -6.273 11.367 6.108 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.215 13.930 6.907 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.576 11.320 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.067 12.736 9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.778 10.766 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.038 10.566 6.550 1.00 0.00 H new ATOM 775 N TYR A 51 -4.143 13.097 7.738 1.00 0.00 N ATOM 776 CA TYR A 51 -2.879 13.616 8.250 1.00 0.00 C ATOM 777 C TYR A 51 -2.469 14.878 7.502 1.00 0.00 C ATOM 778 O TYR A 51 -2.204 15.915 8.108 1.00 0.00 O ATOM 779 CB TYR A 51 -1.800 12.532 8.119 1.00 0.00 C ATOM 780 CG TYR A 51 -0.379 13.006 8.349 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.102 14.132 9.114 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.690 12.311 7.796 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.199 14.553 9.319 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.991 12.723 7.997 1.00 0.00 C ATOM 785 CZ TYR A 51 2.242 13.844 8.758 1.00 0.00 C ATOM 786 OH TYR A 51 3.537 14.260 8.960 1.00 0.00 O ATOM 0 H TYR A 51 -4.090 12.145 7.375 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.999 13.880 9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.020 11.735 8.829 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.864 12.097 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.916 14.688 9.556 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.499 11.432 7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.398 15.432 9.915 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.809 12.170 7.560 1.00 0.00 H new ATOM 0 HH TYR A 51 4.152 13.652 8.499 1.00 0.00 H new ATOM 796 N TYR A 52 -2.418 14.776 6.184 1.00 0.00 N ATOM 797 CA TYR A 52 -2.038 15.900 5.340 1.00 0.00 C ATOM 798 C TYR A 52 -3.100 16.992 5.357 1.00 0.00 C ATOM 799 O TYR A 52 -2.787 18.169 5.190 1.00 0.00 O ATOM 800 CB TYR A 52 -1.815 15.425 3.910 1.00 0.00 C ATOM 801 CG TYR A 52 -0.491 14.740 3.722 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.689 15.379 4.068 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.418 13.457 3.206 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.906 14.760 3.904 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.795 12.828 3.038 1.00 0.00 C ATOM 806 CZ TYR A 52 1.956 13.484 3.388 1.00 0.00 C ATOM 807 OH TYR A 52 3.170 12.864 3.220 1.00 0.00 O ATOM 0 H TYR A 52 -2.636 13.921 5.672 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.113 16.318 5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.616 14.740 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.876 16.279 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.652 16.379 4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.327 12.942 2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.817 15.271 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.837 11.827 2.635 1.00 0.00 H new ATOM 0 HH TYR A 52 3.859 13.537 3.042 1.00 0.00 H new ATOM 817 N ARG A 53 -4.354 16.608 5.576 1.00 0.00 N ATOM 818 CA ARG A 53 -5.442 17.579 5.627 1.00 0.00 C ATOM 819 C ARG A 53 -5.191 18.591 6.738 1.00 0.00 C ATOM 820 O ARG A 53 -5.615 19.744 6.655 1.00 0.00 O ATOM 821 CB ARG A 53 -6.780 16.870 5.848 1.00 0.00 C ATOM 822 CG ARG A 53 -7.962 17.818 5.981 1.00 0.00 C ATOM 823 CD ARG A 53 -9.285 17.074 5.899 1.00 0.00 C ATOM 824 NE ARG A 53 -9.687 16.818 4.518 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.278 17.721 3.738 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.536 18.939 4.197 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.611 17.403 2.494 1.00 0.00 N ATOM 0 H ARG A 53 -4.641 15.640 5.720 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.483 18.107 4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.963 16.191 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.713 16.259 6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.900 18.348 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.917 18.570 5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.202 16.128 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.059 17.656 6.400 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.504 15.893 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.281 19.188 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.989 19.626 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.414 16.468 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.064 18.093 1.895 1.00 0.00 H new ATOM 841 N GLN A 54 -4.487 18.147 7.771 1.00 0.00 N ATOM 842 CA GLN A 54 -4.155 18.998 8.903 1.00 0.00 C ATOM 843 C GLN A 54 -2.697 19.451 8.832 1.00 0.00 C ATOM 844 O GLN A 54 -2.261 20.297 9.613 1.00 0.00 O ATOM 845 CB GLN A 54 -4.399 18.241 10.211 1.00 0.00 C ATOM 846 CG GLN A 54 -5.849 18.269 10.669 1.00 0.00 C ATOM 847 CD GLN A 54 -6.503 16.901 10.622 1.00 0.00 C ATOM 848 OE1 GLN A 54 -7.570 16.731 10.032 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.865 15.918 11.245 1.00 0.00 N ATOM 0 H GLN A 54 -4.133 17.193 7.847 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.793 19.881 8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.086 17.204 10.085 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.772 18.670 10.992 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.897 18.656 11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.412 18.958 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.983 16.104 11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.257 14.976 11.247 1.00 0.00 H new ATOM 858 N GLN A 55 -1.942 18.863 7.905 1.00 0.00 N ATOM 859 CA GLN A 55 -0.528 19.178 7.742 1.00 0.00 C ATOM 860 C GLN A 55 -0.288 20.229 6.657 1.00 0.00 C ATOM 861 O GLN A 55 0.851 20.440 6.241 1.00 0.00 O ATOM 862 CB GLN A 55 0.233 17.901 7.386 1.00 0.00 C ATOM 863 CG GLN A 55 1.626 17.824 7.979 1.00 0.00 C ATOM 864 CD GLN A 55 1.648 18.085 9.473 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.565 18.725 9.990 1.00 0.00 O ATOM 866 NE2 GLN A 55 0.637 17.588 10.178 1.00 0.00 N ATOM 0 H GLN A 55 -2.291 18.161 7.252 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.170 19.592 8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.343 17.041 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.307 17.826 6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.045 16.837 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.268 18.549 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.102 17.064 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.600 17.731 11.187 1.00 0.00 H new ATOM 875 N VAL A 56 -1.347 20.883 6.193 1.00 0.00 N ATOM 876 CA VAL A 56 -1.199 21.900 5.152 1.00 0.00 C ATOM 877 C VAL A 56 -1.085 23.299 5.746 1.00 0.00 C ATOM 878 O VAL A 56 -1.179 23.487 6.958 1.00 0.00 O ATOM 879 CB VAL A 56 -2.369 21.919 4.140 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.844 22.016 2.716 1.00 0.00 C ATOM 881 CG2 VAL A 56 -3.288 20.718 4.279 1.00 0.00 C ATOM 0 H VAL A 56 -2.304 20.733 6.513 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.283 21.625 4.629 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.963 22.804 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.682 22.028 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.265 22.933 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.208 21.157 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.090 20.786 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.719 19.803 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.716 20.701 5.281 1.00 0.00 H new ATOM 891 N THR A 57 -0.886 24.277 4.868 1.00 0.00 N ATOM 892 CA THR A 57 -0.761 25.674 5.258 1.00 0.00 C ATOM 893 C THR A 57 -1.287 26.560 4.134 1.00 0.00 C ATOM 894 O THR A 57 -1.560 26.072 3.038 1.00 0.00 O ATOM 895 CB THR A 57 0.698 26.021 5.553 1.00 0.00 C ATOM 896 OG1 THR A 57 1.532 25.641 4.471 1.00 0.00 O ATOM 897 CG2 THR A 57 1.231 25.351 6.798 1.00 0.00 C ATOM 0 H THR A 57 -0.807 24.121 3.863 1.00 0.00 H new ATOM 0 HA THR A 57 -1.345 25.843 6.163 1.00 0.00 H new ATOM 0 HB THR A 57 0.714 27.100 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.462 25.873 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.271 25.640 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.639 25.661 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.168 24.269 6.684 1.00 0.00 H new ATOM 905 N GLY A 58 -1.406 27.861 4.384 1.00 0.00 N ATOM 906 CA GLY A 58 -1.872 28.765 3.348 1.00 0.00 C ATOM 907 C GLY A 58 -3.380 28.774 3.168 1.00 0.00 C ATOM 908 O GLY A 58 -4.118 28.159 3.939 1.00 0.00 O ATOM 0 H GLY A 58 -1.190 28.302 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.539 29.775 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.405 28.489 2.402 1.00 0.00 H new ATOM 912 N GLU A 59 -3.826 29.498 2.143 1.00 0.00 N ATOM 913 CA GLU A 59 -5.250 29.629 1.838 1.00 0.00 C ATOM 914 C GLU A 59 -5.924 28.263 1.724 1.00 0.00 C ATOM 915 O GLU A 59 -5.283 27.269 1.384 1.00 0.00 O ATOM 916 CB GLU A 59 -5.443 30.418 0.541 1.00 0.00 C ATOM 917 CG GLU A 59 -5.774 31.885 0.767 1.00 0.00 C ATOM 918 CD GLU A 59 -4.874 32.817 -0.021 1.00 0.00 C ATOM 919 OE1 GLU A 59 -3.728 33.047 0.418 1.00 0.00 O ATOM 920 OE2 GLU A 59 -5.316 33.316 -1.076 1.00 0.00 O ATOM 0 H GLU A 59 -3.215 30.007 1.504 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.719 30.169 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.534 30.347 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.243 29.958 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.812 32.066 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.686 32.114 1.829 1.00 0.00 H new ATOM 927 N PRO A 60 -7.235 28.201 2.017 1.00 0.00 N ATOM 928 CA PRO A 60 -8.011 26.956 1.963 1.00 0.00 C ATOM 929 C PRO A 60 -7.963 26.274 0.600 1.00 0.00 C ATOM 930 O PRO A 60 -7.995 25.045 0.515 1.00 0.00 O ATOM 931 CB PRO A 60 -9.446 27.397 2.289 1.00 0.00 C ATOM 932 CG PRO A 60 -9.455 28.877 2.109 1.00 0.00 C ATOM 933 CD PRO A 60 -8.066 29.340 2.437 1.00 0.00 C ATOM 0 HA PRO A 60 -7.609 26.217 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.165 26.916 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.719 27.123 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.725 29.144 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.188 29.346 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.806 30.251 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.951 29.554 3.500 1.00 0.00 H new ATOM 941 N GLN A 61 -7.887 27.062 -0.467 1.00 0.00 N ATOM 942 CA GLN A 61 -7.839 26.506 -1.812 1.00 0.00 C ATOM 943 C GLN A 61 -6.581 25.669 -2.010 1.00 0.00 C ATOM 944 O GLN A 61 -6.625 24.578 -2.581 1.00 0.00 O ATOM 945 CB GLN A 61 -7.892 27.628 -2.853 1.00 0.00 C ATOM 946 CG GLN A 61 -9.017 27.469 -3.861 1.00 0.00 C ATOM 947 CD GLN A 61 -8.828 28.340 -5.087 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.433 27.859 -6.149 1.00 0.00 O ATOM 949 NE2 GLN A 61 -9.108 29.630 -4.946 1.00 0.00 N ATOM 0 H GLN A 61 -7.858 28.081 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.707 25.859 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.007 28.583 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.941 27.664 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.080 26.425 -4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.965 27.719 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.433 29.986 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.998 30.265 -5.737 1.00 0.00 H new ATOM 958 N GLU A 62 -5.460 26.186 -1.528 1.00 0.00 N ATOM 959 CA GLU A 62 -4.190 25.486 -1.649 1.00 0.00 C ATOM 960 C GLU A 62 -4.234 24.162 -0.901 1.00 0.00 C ATOM 961 O GLU A 62 -3.824 23.126 -1.430 1.00 0.00 O ATOM 962 CB GLU A 62 -3.051 26.347 -1.109 1.00 0.00 C ATOM 963 CG GLU A 62 -2.843 27.642 -1.878 1.00 0.00 C ATOM 964 CD GLU A 62 -1.500 28.282 -1.589 1.00 0.00 C ATOM 965 OE1 GLU A 62 -1.332 28.839 -0.483 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.614 28.228 -2.468 1.00 0.00 O ATOM 0 H GLU A 62 -5.404 27.086 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.013 25.287 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.251 26.584 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.128 25.768 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.924 27.443 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.638 28.343 -1.623 1.00 0.00 H new ATOM 973 N ARG A 63 -4.735 24.189 0.335 1.00 0.00 N ATOM 974 CA ARG A 63 -4.821 22.979 1.129 1.00 0.00 C ATOM 975 C ARG A 63 -5.580 21.909 0.366 1.00 0.00 C ATOM 976 O ARG A 63 -5.116 20.780 0.228 1.00 0.00 O ATOM 977 CB ARG A 63 -5.534 23.268 2.449 1.00 0.00 C ATOM 978 CG ARG A 63 -4.653 23.955 3.471 1.00 0.00 C ATOM 979 CD ARG A 63 -5.033 25.408 3.664 1.00 0.00 C ATOM 980 NE ARG A 63 -4.725 25.874 5.014 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.619 25.963 5.999 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.882 25.607 5.798 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.244 26.405 7.191 1.00 0.00 N ATOM 0 H ARG A 63 -5.082 25.029 0.797 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.811 22.624 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.406 23.893 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.901 22.331 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.728 23.431 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.612 23.892 3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.502 26.022 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.098 25.534 3.470 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.764 26.149 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.175 25.262 4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.559 25.678 6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.274 26.676 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.925 26.474 7.947 1.00 0.00 H new ATOM 997 N ASP A 64 -6.764 22.269 -0.115 1.00 0.00 N ATOM 998 CA ASP A 64 -7.588 21.318 -0.840 1.00 0.00 C ATOM 999 C ASP A 64 -6.831 20.729 -2.025 1.00 0.00 C ATOM 1000 O ASP A 64 -6.918 19.526 -2.274 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.905 21.969 -1.294 1.00 0.00 C ATOM 1002 CG ASP A 64 -8.816 22.629 -2.660 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -8.600 21.910 -3.657 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -8.972 23.866 -2.732 1.00 0.00 O ATOM 0 H ASP A 64 -7.168 23.200 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.833 20.500 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.687 21.210 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.205 22.715 -0.558 1.00 0.00 H new ATOM 1009 N LYS A 65 -6.088 21.556 -2.766 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.339 21.063 -3.916 1.00 0.00 C ATOM 1011 C LYS A 65 -4.299 20.037 -3.490 1.00 0.00 C ATOM 1012 O LYS A 65 -4.025 19.077 -4.210 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.657 22.232 -4.630 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.015 21.857 -5.954 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.351 23.061 -6.602 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.123 22.658 -7.404 1.00 0.00 C ATOM 1017 NZ LYS A 65 -1.010 22.207 -6.524 1.00 0.00 N ATOM 0 H LYS A 65 -5.992 22.556 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.037 20.578 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.393 23.017 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.894 22.650 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.275 21.073 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.771 21.450 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.065 23.563 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.065 23.778 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.387 21.857 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.790 23.503 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.107 22.298 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.985 22.795 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.159 21.213 -6.258 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.721 20.243 -2.315 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.717 19.326 -1.799 1.00 0.00 C ATOM 1033 C ALA A 66 -3.356 18.003 -1.395 1.00 0.00 C ATOM 1034 O ALA A 66 -2.802 16.932 -1.640 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.987 19.946 -0.617 1.00 0.00 C ATOM 0 H ALA A 66 -3.929 21.033 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.992 19.131 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.239 19.246 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.496 20.866 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.702 20.171 0.175 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.527 18.088 -0.771 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.248 16.903 -0.320 1.00 0.00 C ATOM 1043 C LEU A 67 -5.806 16.105 -1.492 1.00 0.00 C ATOM 1044 O LEU A 67 -5.881 14.876 -1.432 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.386 17.304 0.618 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.986 17.498 2.083 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.734 18.356 2.184 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.132 18.123 2.864 1.00 0.00 C ATOM 0 H LEU A 67 -4.998 18.969 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.540 16.270 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.827 18.232 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.163 16.541 0.568 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.766 16.523 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.464 18.484 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.915 17.868 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.925 19.332 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.834 18.255 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.381 19.092 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.003 17.470 2.817 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.189 16.794 -2.562 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.728 16.120 -3.733 1.00 0.00 C ATOM 1062 C GLN A 68 -5.608 15.437 -4.508 1.00 0.00 C ATOM 1063 O GLN A 68 -5.716 14.265 -4.873 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.484 17.105 -4.632 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.585 18.070 -5.387 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.363 19.029 -6.269 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.470 19.444 -5.928 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -6.784 19.384 -7.410 1.00 0.00 N ATOM 0 H GLN A 68 -6.136 17.810 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.435 15.361 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.079 16.541 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.181 17.677 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.991 18.640 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.886 17.503 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.864 19.015 -7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.259 20.026 -8.045 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.532 16.176 -4.754 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.395 15.636 -5.483 1.00 0.00 C ATOM 1079 C GLU A 69 -2.779 14.470 -4.722 1.00 0.00 C ATOM 1080 O GLU A 69 -2.294 13.513 -5.326 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.347 16.725 -5.718 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.641 17.603 -6.923 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.894 17.159 -8.165 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.650 17.264 -8.178 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -2.554 16.706 -9.123 1.00 0.00 O ATOM 0 H GLU A 69 -4.425 17.147 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.746 15.274 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.282 17.352 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.372 16.256 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.712 17.590 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.372 18.634 -6.691 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.808 14.546 -3.395 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.256 13.475 -2.575 1.00 0.00 C ATOM 1094 C LEU A 70 -3.119 12.229 -2.699 1.00 0.00 C ATOM 1095 O LEU A 70 -2.611 11.133 -2.937 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.156 13.913 -1.105 1.00 0.00 C ATOM 1097 CG LEU A 70 -0.885 13.491 -0.340 1.00 0.00 C ATOM 1098 CD1 LEU A 70 0.203 12.976 -1.274 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.360 14.654 0.486 1.00 0.00 C ATOM 0 H LEU A 70 -3.202 15.327 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.251 13.246 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.230 15.000 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.021 13.517 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.161 12.670 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.078 12.691 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.167 12.109 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.477 13.760 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.537 14.344 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.120 15.489 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.121 14.964 1.202 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.428 12.399 -2.536 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.353 11.274 -2.633 1.00 0.00 C ATOM 1113 C ARG A 71 -5.187 10.563 -3.972 1.00 0.00 C ATOM 1114 O ARG A 71 -5.246 9.334 -4.043 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.806 11.735 -2.438 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.393 12.497 -3.618 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.875 12.205 -3.785 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.706 13.131 -3.019 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.036 13.155 -3.074 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.690 12.306 -3.858 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.714 14.029 -2.343 1.00 0.00 N ATOM 0 H ARG A 71 -4.869 13.297 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.117 10.570 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.427 10.861 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.857 12.368 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.246 13.567 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.862 12.224 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.140 12.268 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.081 11.184 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.239 13.799 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.173 11.631 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.709 12.329 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.217 14.683 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.733 14.047 -2.385 1.00 0.00 H new ATOM 1135 N GLN A 72 -4.953 11.337 -5.029 1.00 0.00 N ATOM 1136 CA GLN A 72 -4.752 10.767 -6.352 1.00 0.00 C ATOM 1137 C GLN A 72 -3.400 10.071 -6.407 1.00 0.00 C ATOM 1138 O GLN A 72 -3.238 9.047 -7.072 1.00 0.00 O ATOM 1139 CB GLN A 72 -4.824 11.856 -7.425 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.238 12.328 -7.722 1.00 0.00 C ATOM 1141 CD GLN A 72 -6.267 13.584 -8.570 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -6.602 14.666 -8.087 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -5.915 13.445 -9.842 1.00 0.00 N ATOM 0 H GLN A 72 -4.899 12.355 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.542 10.041 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.225 12.709 -7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.376 11.478 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.782 11.535 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.759 12.516 -6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.645 12.529 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.915 14.255 -10.463 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.434 10.635 -5.688 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.096 10.074 -5.635 1.00 0.00 C ATOM 1154 C GLU A 73 -1.125 8.682 -5.020 1.00 0.00 C ATOM 1155 O GLU A 73 -0.464 7.767 -5.511 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.163 10.987 -4.834 1.00 0.00 C ATOM 1157 CG GLU A 73 1.075 11.416 -5.606 1.00 0.00 C ATOM 1158 CD GLU A 73 1.192 12.922 -5.737 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.298 13.535 -6.358 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.177 13.489 -5.219 1.00 0.00 O ATOM 0 H GLU A 73 -2.558 11.482 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.717 9.996 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.714 11.875 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.146 10.470 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.962 11.029 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.050 10.970 -6.600 1.00 0.00 H new ATOM 1167 N LEU A 74 -1.923 8.509 -3.966 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.059 7.210 -3.325 1.00 0.00 C ATOM 1169 C LEU A 74 -2.768 6.245 -4.264 1.00 0.00 C ATOM 1170 O LEU A 74 -2.368 5.096 -4.415 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.839 7.337 -2.015 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.398 8.486 -1.105 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.550 8.941 -0.222 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.207 8.065 -0.258 1.00 0.00 C ATOM 0 H LEU A 74 -2.481 9.251 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.065 6.825 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.895 7.466 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.747 6.401 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.096 9.326 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.217 9.758 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.375 9.282 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.885 8.109 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.906 8.893 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.483 7.210 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.377 7.790 -0.909 1.00 0.00 H new ATOM 1186 N ASN A 75 -3.844 6.733 -4.878 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.639 5.922 -5.795 1.00 0.00 C ATOM 1188 C ASN A 75 -3.752 5.289 -6.860 1.00 0.00 C ATOM 1189 O ASN A 75 -3.913 4.117 -7.199 1.00 0.00 O ATOM 1190 CB ASN A 75 -5.727 6.769 -6.462 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.633 7.457 -5.457 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.002 8.618 -5.632 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.002 6.741 -4.401 1.00 0.00 N ATOM 0 H ASN A 75 -4.185 7.687 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.115 5.130 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.258 7.521 -7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.329 6.134 -7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.615 7.151 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.673 5.781 -4.295 1.00 0.00 H new ATOM 1200 N THR A 76 -2.810 6.067 -7.375 1.00 0.00 N ATOM 1201 CA THR A 76 -1.892 5.572 -8.391 1.00 0.00 C ATOM 1202 C THR A 76 -0.812 4.701 -7.759 1.00 0.00 C ATOM 1203 O THR A 76 -0.552 3.591 -8.214 1.00 0.00 O ATOM 1204 CB THR A 76 -1.241 6.741 -9.130 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.034 7.834 -8.254 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.056 7.240 -10.302 1.00 0.00 C ATOM 0 H THR A 76 -2.662 7.040 -7.107 1.00 0.00 H new ATOM 0 HA THR A 76 -2.460 4.970 -9.100 1.00 0.00 H new ATOM 0 HB THR A 76 -0.296 6.352 -9.508 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.839 7.499 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.535 8.070 -10.780 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.190 6.433 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.031 7.578 -9.950 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.180 5.229 -6.718 1.00 0.00 N ATOM 1215 CA LEU A 77 0.891 4.521 -6.017 1.00 0.00 C ATOM 1216 C LEU A 77 0.450 3.135 -5.544 1.00 0.00 C ATOM 1217 O LEU A 77 1.235 2.187 -5.566 1.00 0.00 O ATOM 1218 CB LEU A 77 1.374 5.350 -4.826 1.00 0.00 C ATOM 1219 CG LEU A 77 2.711 6.056 -5.042 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.995 7.022 -3.905 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.836 5.041 -5.178 1.00 0.00 C ATOM 0 H LEU A 77 -0.391 6.151 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 77 1.709 4.382 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.617 6.098 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.459 4.698 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 77 2.652 6.627 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.952 7.515 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.204 7.771 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.033 6.474 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.780 5.563 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.896 4.441 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.638 4.391 -6.030 1.00 0.00 H new ATOM 1233 N ALA A 78 -0.797 3.027 -5.098 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.329 1.761 -4.601 1.00 0.00 C ATOM 1235 C ALA A 78 -1.646 0.783 -5.731 1.00 0.00 C ATOM 1236 O ALA A 78 -1.626 -0.432 -5.531 1.00 0.00 O ATOM 1237 CB ALA A 78 -2.573 2.012 -3.758 1.00 0.00 C ATOM 0 H ALA A 78 -1.460 3.802 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.556 1.302 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.962 1.062 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.317 2.649 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.331 2.505 -4.366 1.00 0.00 H new ATOM 1243 N ASN A 79 -1.952 1.310 -6.913 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.285 0.469 -8.061 1.00 0.00 C ATOM 1245 C ASN A 79 -1.207 -0.588 -8.321 1.00 0.00 C ATOM 1246 O ASN A 79 -1.516 -1.770 -8.464 1.00 0.00 O ATOM 1247 CB ASN A 79 -2.481 1.331 -9.308 1.00 0.00 C ATOM 1248 CG ASN A 79 -3.643 0.857 -10.160 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -3.496 -0.041 -10.989 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.808 1.462 -9.959 1.00 0.00 N ATOM 0 H ASN A 79 -1.977 2.312 -7.102 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.215 -0.051 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.651 2.365 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.568 1.318 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.626 1.187 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.885 2.202 -9.261 1.00 0.00 H new ATOM 1257 N PRO A 80 0.075 -0.181 -8.391 1.00 0.00 N ATOM 1258 CA PRO A 80 1.181 -1.110 -8.640 1.00 0.00 C ATOM 1259 C PRO A 80 1.424 -2.058 -7.472 1.00 0.00 C ATOM 1260 O PRO A 80 1.748 -3.229 -7.676 1.00 0.00 O ATOM 1261 CB PRO A 80 2.388 -0.191 -8.840 1.00 0.00 C ATOM 1262 CG PRO A 80 2.036 1.057 -8.112 1.00 0.00 C ATOM 1263 CD PRO A 80 0.548 1.205 -8.249 1.00 0.00 C ATOM 0 HA PRO A 80 0.976 -1.758 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.298 -0.639 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.566 0.004 -9.897 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.328 0.994 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.555 1.917 -8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.111 1.690 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.283 1.810 -9.116 1.00 0.00 H new ATOM 1271 N PHE A 81 1.262 -1.563 -6.245 1.00 0.00 N ATOM 1272 CA PHE A 81 1.466 -2.390 -5.064 1.00 0.00 C ATOM 1273 C PHE A 81 0.378 -3.451 -4.972 1.00 0.00 C ATOM 1274 O PHE A 81 0.663 -4.645 -4.871 1.00 0.00 O ATOM 1275 CB PHE A 81 1.441 -1.496 -3.820 1.00 0.00 C ATOM 1276 CG PHE A 81 1.363 -2.232 -2.509 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.967 -3.467 -2.345 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.689 -1.672 -1.436 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.899 -4.130 -1.133 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.616 -2.326 -0.223 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.223 -3.558 -0.071 1.00 0.00 C ATOM 0 H PHE A 81 0.992 -0.600 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 81 2.430 -2.893 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.337 -0.876 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.587 -0.822 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.497 -3.917 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.214 -0.709 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.373 -5.093 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.087 -1.877 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.169 -4.074 0.876 1.00 0.00 H new ATOM 1291 N LEU A 82 -0.874 -3.004 -5.001 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.012 -3.909 -4.913 1.00 0.00 C ATOM 1293 C LEU A 82 -1.970 -4.954 -6.020 1.00 0.00 C ATOM 1294 O LEU A 82 -2.322 -6.111 -5.798 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.322 -3.123 -4.983 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.723 -2.420 -3.684 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.686 -1.278 -3.971 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.343 -3.412 -2.711 1.00 0.00 C ATOM 0 H LEU A 82 -1.125 -2.019 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.957 -4.426 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.239 -2.376 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.122 -3.804 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.826 -2.004 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.960 -0.790 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.207 -0.555 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.582 -1.670 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.622 -2.895 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.230 -3.857 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.621 -4.196 -2.481 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.536 -4.552 -7.212 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.452 -5.474 -8.337 1.00 0.00 C ATOM 1312 C ALA A 83 -0.370 -6.519 -8.099 1.00 0.00 C ATOM 1313 O ALA A 83 -0.554 -7.697 -8.400 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.184 -4.713 -9.626 1.00 0.00 C ATOM 0 H ALA A 83 -1.239 -3.599 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.408 -5.989 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.124 -5.415 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.994 -4.006 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.242 -4.171 -9.540 1.00 0.00 H new ATOM 1320 N LYS A 84 0.760 -6.086 -7.549 1.00 0.00 N ATOM 1321 CA LYS A 84 1.855 -7.001 -7.268 1.00 0.00 C ATOM 1322 C LYS A 84 1.409 -8.064 -6.269 1.00 0.00 C ATOM 1323 O LYS A 84 1.750 -9.241 -6.399 1.00 0.00 O ATOM 1324 CB LYS A 84 3.062 -6.240 -6.720 1.00 0.00 C ATOM 1325 CG LYS A 84 3.986 -5.703 -7.803 1.00 0.00 C ATOM 1326 CD LYS A 84 5.137 -6.658 -8.075 1.00 0.00 C ATOM 1327 CE LYS A 84 4.704 -7.818 -8.956 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.846 -8.385 -9.726 1.00 0.00 N ATOM 0 H LYS A 84 0.939 -5.115 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 84 2.145 -7.489 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.710 -5.409 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.630 -6.900 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.419 -5.543 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.380 -4.733 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.952 -6.118 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.523 -7.042 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.260 -8.598 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.932 -7.481 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.510 -9.174 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.254 -7.648 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.572 -8.730 -9.066 1.00 0.00 H new ATOM 1342 N TYR A 85 0.627 -7.641 -5.281 1.00 0.00 N ATOM 1343 CA TYR A 85 0.124 -8.562 -4.270 1.00 0.00 C ATOM 1344 C TYR A 85 -1.037 -9.383 -4.812 1.00 0.00 C ATOM 1345 O TYR A 85 -1.153 -10.572 -4.518 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.296 -7.819 -3.002 1.00 0.00 C ATOM 1347 CG TYR A 85 0.044 -8.579 -1.739 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.358 -8.931 -1.455 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.946 -8.953 -0.840 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.676 -9.634 -0.309 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.635 -9.655 0.310 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.678 -9.994 0.570 1.00 0.00 C ATOM 1353 OH TYR A 85 0.993 -10.694 1.712 1.00 0.00 O ATOM 0 H TYR A 85 0.330 -6.673 -5.160 1.00 0.00 H new ATOM 0 HA TYR A 85 0.937 -9.241 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.193 -6.845 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.370 -7.635 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.143 -8.650 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.974 -8.692 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.702 -9.900 -0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.415 -9.937 1.001 1.00 0.00 H new ATOM 0 HH TYR A 85 1.898 -10.456 2.003 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.890 -8.755 -5.615 1.00 0.00 N ATOM 1364 CA ARG A 86 -3.024 -9.458 -6.199 1.00 0.00 C ATOM 1365 C ARG A 86 -2.516 -10.578 -7.101 1.00 0.00 C ATOM 1366 O ARG A 86 -2.960 -11.722 -6.997 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.941 -8.490 -6.967 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.620 -8.348 -8.448 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.612 -7.428 -9.143 1.00 0.00 C ATOM 1370 NE ARG A 86 -4.087 -6.905 -10.401 1.00 0.00 N ATOM 1371 CZ ARG A 86 -4.729 -6.020 -11.161 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.917 -5.557 -10.792 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -4.183 -5.598 -12.292 1.00 0.00 N ATOM 0 H ARG A 86 -1.818 -7.771 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.622 -9.896 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.972 -8.829 -6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.880 -7.507 -6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.611 -7.954 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.638 -9.329 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.537 -7.972 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.861 -6.598 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.175 -7.237 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.342 -5.879 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.405 -4.879 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.271 -5.951 -12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.675 -4.920 -12.874 1.00 0.00 H new ATOM 1387 N ASP A 87 -1.557 -10.247 -7.964 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.962 -11.235 -8.854 1.00 0.00 C ATOM 1389 C ASP A 87 -0.254 -12.299 -8.023 1.00 0.00 C ATOM 1390 O ASP A 87 -0.319 -13.492 -8.320 1.00 0.00 O ATOM 1391 CB ASP A 87 0.025 -10.568 -9.813 1.00 0.00 C ATOM 1392 CG ASP A 87 -0.604 -10.237 -11.152 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -1.485 -9.352 -11.191 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.216 -10.862 -12.161 1.00 0.00 O ATOM 0 H ASP A 87 -1.178 -9.305 -8.064 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.748 -11.702 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.408 -9.654 -9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.878 -11.228 -9.969 1.00 0.00 H new ATOM 1399 N PHE A 88 0.409 -11.842 -6.964 1.00 0.00 N ATOM 1400 CA PHE A 88 1.125 -12.721 -6.048 1.00 0.00 C ATOM 1401 C PHE A 88 0.155 -13.653 -5.323 1.00 0.00 C ATOM 1402 O PHE A 88 0.512 -14.767 -4.942 1.00 0.00 O ATOM 1403 CB PHE A 88 1.916 -11.895 -5.032 1.00 0.00 C ATOM 1404 CG PHE A 88 2.921 -12.689 -4.248 1.00 0.00 C ATOM 1405 CD1 PHE A 88 3.655 -13.699 -4.851 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.137 -12.418 -2.907 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.584 -14.425 -4.128 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.064 -13.140 -2.180 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.789 -14.145 -2.792 1.00 0.00 C ATOM 0 H PHE A 88 0.464 -10.854 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 88 1.819 -13.328 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.433 -11.091 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.218 -11.426 -4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.500 -13.921 -5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.574 -11.633 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.149 -15.210 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.222 -12.919 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.515 -14.710 -2.226 1.00 0.00 H new ATOM 1419 N LEU A 89 -1.079 -13.187 -5.149 1.00 0.00 N ATOM 1420 CA LEU A 89 -2.104 -13.981 -4.483 1.00 0.00 C ATOM 1421 C LEU A 89 -2.605 -15.076 -5.422 1.00 0.00 C ATOM 1422 O LEU A 89 -2.757 -16.232 -5.026 1.00 0.00 O ATOM 1423 CB LEU A 89 -3.270 -13.084 -4.050 1.00 0.00 C ATOM 1424 CG LEU A 89 -3.220 -12.594 -2.599 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -1.863 -11.982 -2.277 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -4.331 -11.588 -2.343 1.00 0.00 C ATOM 0 H LEU A 89 -1.391 -12.267 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.671 -14.444 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.301 -12.215 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.201 -13.631 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.367 -13.453 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.854 -11.642 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.083 -12.730 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.680 -11.135 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.283 -11.249 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.210 -10.735 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.297 -12.058 -2.526 1.00 0.00 H new