USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 ASN : amide:sc=-0.00768 K(o=0.083,f=-0.78) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -114:sc= 0.0902 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 1.28 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -136:sc= 0.0809 (180deg=-0.183) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.053) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.28 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.096) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 0.658 (180deg=-1.69!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.96 (180deg=1.44) USER MOD Single : A 31 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.35) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.00038) USER MOD Single : A 55 THR OG1 : rot -47:sc= 0.778 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -72:sc= 0.452 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0539 (180deg=-0.273) USER MOD Single : A 65 SER OG : rot -99:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.249 K(o=0.25,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.076 -4.466 -3.601 1.00 0.78 N ATOM 2 CA MET A 1 12.717 -4.604 -2.172 1.00 0.70 C ATOM 3 C MET A 1 11.398 -5.273 -1.989 1.00 0.62 C ATOM 4 O MET A 1 10.457 -4.831 -2.647 1.00 0.68 O ATOM 5 CB MET A 1 12.668 -3.251 -1.440 1.00 0.75 C ATOM 6 CG MET A 1 12.453 -3.339 0.072 1.00 0.79 C ATOM 7 SD MET A 1 13.003 -1.746 0.755 1.00 1.10 S ATOM 8 CE MET A 1 11.405 -0.970 1.133 1.00 0.84 C ATOM 0 H1 MET A 1 14.111 -4.457 -3.700 1.00 0.78 H new ATOM 0 H2 MET A 1 12.684 -5.267 -4.136 1.00 0.78 H new ATOM 0 H3 MET A 1 12.685 -3.577 -3.973 1.00 0.78 H new ATOM 0 HA MET A 1 13.508 -5.218 -1.741 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.601 -2.720 -1.628 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.867 -2.651 -1.871 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.404 -3.522 0.306 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.024 -4.164 0.499 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.572 -0.029 1.657 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.866 -0.778 0.206 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.817 -1.637 1.763 1.00 0.84 H new ATOM 20 N GLN A 2 11.262 -6.334 -1.174 1.00 0.59 N ATOM 21 CA GLN A 2 10.002 -6.998 -1.056 1.00 0.56 C ATOM 22 C GLN A 2 9.213 -6.457 0.087 1.00 0.50 C ATOM 23 O GLN A 2 9.657 -6.719 1.203 1.00 0.60 O ATOM 24 CB GLN A 2 10.361 -8.455 -0.715 1.00 0.71 C ATOM 25 CG GLN A 2 9.220 -9.470 -0.630 1.00 1.15 C ATOM 26 CD GLN A 2 9.651 -10.876 -0.236 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.375 -11.012 0.750 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.254 -11.905 -1.030 1.00 1.72 N ATOM 0 H GLN A 2 12.012 -6.727 -0.605 1.00 0.59 H new ATOM 0 HA GLN A 2 9.414 -6.878 -1.966 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.069 -8.809 -1.464 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.882 -8.456 0.242 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.487 -9.113 0.093 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.719 -9.515 -1.597 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.652 -11.726 -1.834 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.558 -12.856 -0.822 1.00 1.72 H new ATOM 37 N ILE A 3 8.089 -5.751 -0.123 1.00 0.44 N ATOM 38 CA ILE A 3 7.208 -5.330 0.923 1.00 0.42 C ATOM 39 C ILE A 3 5.985 -6.178 0.858 1.00 0.40 C ATOM 40 O ILE A 3 5.719 -6.998 -0.021 1.00 0.50 O ATOM 41 CB ILE A 3 6.776 -3.892 0.958 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.019 -3.418 -0.294 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.125 -3.182 1.158 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.416 -2.020 -0.157 1.00 0.72 C ATOM 0 H ILE A 3 7.782 -5.463 -1.052 1.00 0.44 H new ATOM 0 HA ILE A 3 7.803 -5.443 1.829 1.00 0.42 H new ATOM 0 HB ILE A 3 6.038 -3.686 1.734 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.700 -3.428 -1.145 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.222 -4.127 -0.516 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.966 -2.105 1.203 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.580 -3.521 2.088 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.787 -3.416 0.324 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.898 -1.755 -1.079 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.709 -2.008 0.672 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.210 -1.298 0.033 1.00 0.72 H new ATOM 56 N PHE A 4 5.204 -6.047 1.944 1.00 0.37 N ATOM 57 CA PHE A 4 4.003 -6.783 2.192 1.00 0.38 C ATOM 58 C PHE A 4 2.830 -5.910 2.477 1.00 0.39 C ATOM 59 O PHE A 4 2.683 -5.259 3.510 1.00 0.60 O ATOM 60 CB PHE A 4 4.069 -7.753 3.383 1.00 0.45 C ATOM 61 CG PHE A 4 5.266 -8.621 3.197 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.264 -9.613 2.245 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.412 -8.497 3.948 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.345 -10.438 2.049 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.527 -9.286 3.790 1.00 1.23 C ATOM 66 CZ PHE A 4 7.456 -10.281 2.844 1.00 0.85 C ATOM 0 H PHE A 4 5.423 -5.389 2.692 1.00 0.37 H new ATOM 0 HA PHE A 4 3.891 -7.336 1.259 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.138 -7.202 4.321 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.163 -8.357 3.434 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.385 -9.748 1.632 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.437 -7.732 4.710 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.323 -11.198 1.282 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.417 -9.131 4.382 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.292 -10.954 2.722 1.00 0.85 H new ATOM 76 N VAL A 5 1.800 -5.900 1.612 1.00 0.35 N ATOM 77 CA VAL A 5 0.672 -5.054 1.853 1.00 0.35 C ATOM 78 C VAL A 5 -0.377 -6.035 2.253 1.00 0.35 C ATOM 79 O VAL A 5 -0.785 -6.956 1.547 1.00 0.46 O ATOM 80 CB VAL A 5 0.318 -4.209 0.665 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.824 -3.243 1.023 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.562 -3.458 0.161 1.00 0.56 C ATOM 0 H VAL A 5 1.747 -6.464 0.764 1.00 0.35 H new ATOM 0 HA VAL A 5 0.839 -4.296 2.618 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.033 -4.851 -0.143 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.072 -2.635 0.153 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.701 -3.814 1.329 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.509 -2.595 1.841 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.294 -2.848 -0.701 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.946 -2.817 0.954 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.329 -4.177 -0.127 1.00 0.56 H new ATOM 92 N LYS A 6 -0.843 -6.005 3.514 1.00 0.36 N ATOM 93 CA LYS A 6 -1.890 -6.873 3.956 1.00 0.39 C ATOM 94 C LYS A 6 -3.283 -6.441 3.654 1.00 0.46 C ATOM 95 O LYS A 6 -3.628 -5.261 3.712 1.00 0.53 O ATOM 96 CB LYS A 6 -1.638 -7.295 5.413 1.00 0.54 C ATOM 97 CG LYS A 6 -2.341 -8.566 5.895 1.00 1.22 C ATOM 98 CD LYS A 6 -1.853 -8.872 7.313 1.00 1.37 C ATOM 99 CE LYS A 6 -1.945 -10.332 7.764 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.971 -11.117 6.974 1.00 2.09 N ATOM 0 H LYS A 6 -0.491 -5.374 4.233 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.834 -7.765 3.332 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.565 -7.429 5.547 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.940 -6.473 6.062 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.422 -8.429 5.886 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.120 -9.399 5.228 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.813 -8.555 7.392 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.427 -8.262 8.011 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.728 -10.416 8.829 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.954 -10.715 7.613 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.415 -12.003 6.657 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.670 -10.565 6.146 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.143 -11.336 7.563 1.00 2.09 H new ATOM 114 N THR A 7 -4.173 -7.401 3.347 1.00 0.58 N ATOM 115 CA THR A 7 -5.570 -7.220 3.100 1.00 0.78 C ATOM 116 C THR A 7 -6.473 -7.406 4.271 1.00 0.94 C ATOM 117 O THR A 7 -6.072 -8.033 5.251 1.00 0.99 O ATOM 118 CB THR A 7 -6.037 -8.123 1.996 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.158 -9.507 2.292 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.108 -8.031 0.774 1.00 0.92 C ATOM 0 H THR A 7 -3.893 -8.378 3.265 1.00 0.58 H new ATOM 0 HA THR A 7 -5.644 -6.168 2.825 1.00 0.78 H new ATOM 0 HB THR A 7 -7.043 -7.744 1.815 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.085 -9.791 2.153 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.471 -8.696 -0.010 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.095 -7.006 0.403 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.099 -8.326 1.061 1.00 0.92 H new ATOM 128 N LEU A 8 -7.693 -6.841 4.233 1.00 1.17 N ATOM 129 CA LEU A 8 -8.719 -6.978 5.219 1.00 1.39 C ATOM 130 C LEU A 8 -9.250 -8.361 5.375 1.00 1.44 C ATOM 131 O LEU A 8 -9.477 -8.844 6.484 1.00 1.60 O ATOM 132 CB LEU A 8 -9.901 -5.996 5.137 1.00 1.66 C ATOM 133 CG LEU A 8 -9.512 -4.532 5.399 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.647 -3.567 5.017 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.114 -4.436 6.881 1.00 2.43 C ATOM 0 H LEU A 8 -7.982 -6.246 3.457 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.152 -6.707 6.109 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.355 -6.070 4.149 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.660 -6.295 5.860 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.672 -4.231 4.773 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.335 -2.542 5.216 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.877 -3.677 3.957 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.534 -3.797 5.607 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.829 -3.410 7.115 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.959 -4.729 7.504 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.272 -5.100 7.075 1.00 2.43 H new ATOM 147 N THR A 9 -9.283 -9.133 4.273 1.00 1.41 N ATOM 148 CA THR A 9 -9.726 -10.492 4.238 1.00 1.51 C ATOM 149 C THR A 9 -8.761 -11.415 4.898 1.00 1.37 C ATOM 150 O THR A 9 -9.128 -12.361 5.594 1.00 1.62 O ATOM 151 CB THR A 9 -9.925 -10.873 2.802 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.760 -10.495 2.082 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.174 -10.113 2.322 1.00 2.08 C ATOM 0 H THR A 9 -8.985 -8.790 3.360 1.00 1.41 H new ATOM 0 HA THR A 9 -10.660 -10.579 4.793 1.00 1.51 H new ATOM 0 HB THR A 9 -10.074 -11.943 2.655 1.00 1.65 H new ATOM 0 HG1 THR A 9 -8.866 -10.736 1.138 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.367 -10.354 1.277 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.033 -10.405 2.927 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.008 -9.040 2.422 1.00 2.08 H new ATOM 161 N GLY A 10 -7.455 -11.246 4.621 1.00 1.18 N ATOM 162 CA GLY A 10 -6.523 -12.014 5.386 1.00 1.22 C ATOM 163 C GLY A 10 -5.176 -12.169 4.769 1.00 0.99 C ATOM 164 O GLY A 10 -4.102 -12.034 5.354 1.00 1.31 O ATOM 0 H GLY A 10 -7.063 -10.622 3.916 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.406 -11.546 6.364 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.944 -13.005 5.555 1.00 1.22 H new ATOM 168 N LYS A 11 -5.267 -12.231 3.429 1.00 0.73 N ATOM 169 CA LYS A 11 -4.105 -12.459 2.626 1.00 0.60 C ATOM 170 C LYS A 11 -3.140 -11.324 2.559 1.00 0.51 C ATOM 171 O LYS A 11 -3.465 -10.141 2.654 1.00 0.63 O ATOM 172 CB LYS A 11 -4.401 -13.155 1.287 1.00 0.75 C ATOM 173 CG LYS A 11 -5.153 -12.280 0.282 1.00 0.87 C ATOM 174 CD LYS A 11 -4.317 -11.427 -0.673 1.00 1.04 C ATOM 175 CE LYS A 11 -5.053 -10.633 -1.755 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.874 -11.432 -2.693 1.00 1.40 N ATOM 0 H LYS A 11 -6.136 -12.125 2.905 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.538 -13.201 3.188 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -3.460 -13.476 0.841 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.986 -14.055 1.479 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.792 -12.929 -0.317 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.810 -11.614 0.841 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.741 -10.722 -0.074 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -3.601 -12.083 -1.168 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.699 -9.903 -1.267 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.317 -10.073 -2.332 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.606 -11.202 -3.671 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.713 -12.445 -2.519 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.880 -11.211 -2.548 1.00 1.40 H new ATOM 190 N THR A 12 -1.859 -11.653 2.316 1.00 0.49 N ATOM 191 CA THR A 12 -0.813 -10.690 2.171 1.00 0.48 C ATOM 192 C THR A 12 -0.461 -10.517 0.734 1.00 0.52 C ATOM 193 O THR A 12 -0.372 -11.490 -0.014 1.00 0.72 O ATOM 194 CB THR A 12 0.423 -11.175 2.871 1.00 0.64 C ATOM 195 OG1 THR A 12 0.276 -11.137 4.283 1.00 0.77 O ATOM 196 CG2 THR A 12 1.629 -10.272 2.561 1.00 0.78 C ATOM 0 H THR A 12 -1.542 -12.617 2.218 1.00 0.49 H new ATOM 0 HA THR A 12 -1.163 -9.749 2.595 1.00 0.48 H new ATOM 0 HB THR A 12 0.578 -12.194 2.516 1.00 0.64 H new ATOM 0 HG1 THR A 12 1.098 -11.461 4.706 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.509 -10.649 3.082 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.816 -10.271 1.487 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.418 -9.256 2.894 1.00 0.78 H new ATOM 204 N ILE A 13 -0.282 -9.252 0.313 1.00 0.48 N ATOM 205 CA ILE A 13 0.108 -8.948 -1.029 1.00 0.55 C ATOM 206 C ILE A 13 1.577 -8.701 -1.057 1.00 0.51 C ATOM 207 O ILE A 13 1.971 -7.673 -0.511 1.00 0.56 O ATOM 208 CB ILE A 13 -0.634 -7.797 -1.642 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.150 -8.051 -1.603 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.232 -7.759 -3.126 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.889 -6.805 -2.093 1.00 1.55 C ATOM 0 H ILE A 13 -0.409 -8.433 0.908 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.154 -9.811 -1.641 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.401 -6.878 -1.104 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.402 -8.906 -2.230 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.462 -8.296 -0.588 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.746 -6.935 -3.621 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.845 -7.615 -3.208 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.510 -8.699 -3.602 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.964 -6.985 -2.065 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.646 -5.961 -1.448 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.585 -6.580 -3.115 1.00 1.55 H new ATOM 223 N THR A 14 2.404 -9.514 -1.739 1.00 0.55 N ATOM 224 CA THR A 14 3.824 -9.382 -1.842 1.00 0.54 C ATOM 225 C THR A 14 4.220 -8.592 -3.042 1.00 0.55 C ATOM 226 O THR A 14 3.856 -8.942 -4.163 1.00 0.72 O ATOM 227 CB THR A 14 4.624 -10.650 -1.810 1.00 0.67 C ATOM 228 OG1 THR A 14 4.019 -11.462 -0.815 1.00 1.08 O ATOM 229 CG2 THR A 14 6.109 -10.503 -1.441 1.00 1.03 C ATOM 0 H THR A 14 2.054 -10.321 -2.255 1.00 0.55 H new ATOM 0 HA THR A 14 4.075 -8.855 -0.922 1.00 0.54 H new ATOM 0 HB THR A 14 4.617 -11.056 -2.821 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.501 -12.312 -0.749 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.585 -11.484 -1.450 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.601 -9.854 -2.165 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.195 -10.067 -0.446 1.00 1.03 H new ATOM 237 N LEU A 15 4.744 -7.382 -2.777 1.00 0.50 N ATOM 238 CA LEU A 15 5.064 -6.473 -3.832 1.00 0.55 C ATOM 239 C LEU A 15 6.538 -6.271 -3.928 1.00 0.52 C ATOM 240 O LEU A 15 7.285 -6.026 -2.983 1.00 0.58 O ATOM 241 CB LEU A 15 4.339 -5.118 -3.813 1.00 0.69 C ATOM 242 CG LEU A 15 2.814 -5.264 -3.954 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.182 -3.938 -3.500 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.324 -5.864 -5.283 1.00 1.55 C ATOM 0 H LEU A 15 4.945 -7.035 -1.839 1.00 0.50 H new ATOM 0 HA LEU A 15 4.683 -6.969 -4.725 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.567 -4.601 -2.881 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.718 -4.495 -4.624 1.00 0.69 H new ATOM 0 HG LEU A 15 2.451 -6.051 -3.293 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.097 -4.004 -3.586 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.452 -3.743 -2.462 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.548 -3.126 -4.129 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.236 -5.922 -5.277 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.649 -5.232 -6.109 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.740 -6.864 -5.406 1.00 1.55 H new ATOM 256 N GLU A 16 7.112 -6.322 -5.143 1.00 0.59 N ATOM 257 CA GLU A 16 8.462 -5.897 -5.346 1.00 0.63 C ATOM 258 C GLU A 16 8.483 -4.452 -5.708 1.00 0.65 C ATOM 259 O GLU A 16 7.825 -4.030 -6.658 1.00 0.81 O ATOM 260 CB GLU A 16 9.188 -6.673 -6.458 1.00 0.76 C ATOM 261 CG GLU A 16 9.378 -8.170 -6.210 1.00 1.41 C ATOM 262 CD GLU A 16 10.470 -8.796 -7.066 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.614 -8.269 -7.066 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.180 -9.822 -7.737 1.00 1.95 O ATOM 0 H GLU A 16 6.642 -6.657 -5.984 1.00 0.59 H new ATOM 0 HA GLU A 16 8.983 -6.088 -4.408 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.632 -6.546 -7.387 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.169 -6.222 -6.609 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.617 -8.328 -5.158 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.437 -8.684 -6.404 1.00 1.41 H new ATOM 271 N VAL A 17 9.053 -3.673 -4.772 1.00 0.61 N ATOM 272 CA VAL A 17 9.095 -2.254 -4.955 1.00 0.63 C ATOM 273 C VAL A 17 10.514 -1.804 -4.876 1.00 0.65 C ATOM 274 O VAL A 17 11.381 -2.523 -4.385 1.00 0.76 O ATOM 275 CB VAL A 17 8.408 -1.548 -3.824 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.901 -1.858 -3.808 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.976 -1.931 -2.448 1.00 0.92 C ATOM 0 H VAL A 17 9.476 -4.013 -3.908 1.00 0.61 H new ATOM 0 HA VAL A 17 8.620 -2.030 -5.910 1.00 0.63 H new ATOM 0 HB VAL A 17 8.583 -0.486 -3.999 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.430 -1.332 -2.977 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.452 -1.531 -4.746 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.752 -2.931 -3.690 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.440 -1.389 -1.669 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.858 -3.003 -2.291 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.034 -1.673 -2.407 1.00 0.92 H new ATOM 287 N GLU A 18 10.707 -0.573 -5.383 1.00 0.68 N ATOM 288 CA GLU A 18 11.865 0.230 -5.138 1.00 0.74 C ATOM 289 C GLU A 18 11.444 1.276 -4.165 1.00 0.71 C ATOM 290 O GLU A 18 10.404 1.886 -4.401 1.00 0.74 O ATOM 291 CB GLU A 18 12.320 0.836 -6.476 1.00 0.88 C ATOM 292 CG GLU A 18 13.574 1.714 -6.474 1.00 1.16 C ATOM 293 CD GLU A 18 14.253 1.975 -7.811 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.590 2.333 -8.822 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.508 1.927 -7.906 1.00 2.33 O ATOM 0 H GLU A 18 10.026 -0.117 -5.990 1.00 0.68 H new ATOM 0 HA GLU A 18 12.704 -0.333 -4.729 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.486 0.016 -7.175 1.00 0.88 H new ATOM 0 HB3 GLU A 18 11.496 1.430 -6.872 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.309 2.677 -6.038 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.305 1.254 -5.810 1.00 1.16 H new ATOM 302 N PRO A 19 12.051 1.617 -3.067 1.00 0.74 N ATOM 303 CA PRO A 19 11.644 2.601 -2.106 1.00 0.74 C ATOM 304 C PRO A 19 11.510 3.984 -2.646 1.00 0.70 C ATOM 305 O PRO A 19 10.979 4.836 -1.935 1.00 0.74 O ATOM 306 CB PRO A 19 12.621 2.552 -0.935 1.00 0.86 C ATOM 307 CG PRO A 19 13.841 1.814 -1.509 1.00 0.95 C ATOM 308 CD PRO A 19 13.195 0.882 -2.548 1.00 0.82 C ATOM 0 HA PRO A 19 10.634 2.347 -1.785 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.884 3.552 -0.591 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.197 2.022 -0.082 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.555 2.500 -1.965 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.379 1.258 -0.741 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.897 0.634 -3.344 1.00 0.82 H new ATOM 0 HD3 PRO A 19 12.884 -0.059 -2.093 1.00 0.82 H new ATOM 316 N SER A 20 12.063 4.176 -3.856 1.00 0.70 N ATOM 317 CA SER A 20 12.113 5.370 -4.641 1.00 0.74 C ATOM 318 C SER A 20 10.920 5.603 -5.504 1.00 0.71 C ATOM 319 O SER A 20 10.640 6.703 -5.977 1.00 0.80 O ATOM 320 CB SER A 20 13.301 5.559 -5.600 1.00 0.89 C ATOM 321 OG SER A 20 14.539 5.106 -5.073 1.00 1.45 O ATOM 0 H SER A 20 12.527 3.405 -4.336 1.00 0.70 H new ATOM 0 HA SER A 20 12.193 6.075 -3.813 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.095 5.026 -6.528 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.389 6.616 -5.852 1.00 0.89 H new ATOM 0 HG SER A 20 15.249 5.254 -5.732 1.00 1.45 H new ATOM 327 N ASP A 21 10.147 4.522 -5.704 1.00 0.70 N ATOM 328 CA ASP A 21 8.912 4.522 -6.426 1.00 0.73 C ATOM 329 C ASP A 21 7.819 5.269 -5.743 1.00 0.64 C ATOM 330 O ASP A 21 7.737 5.146 -4.521 1.00 0.66 O ATOM 331 CB ASP A 21 8.299 3.133 -6.676 1.00 0.87 C ATOM 332 CG ASP A 21 8.935 2.156 -7.654 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.725 2.613 -8.524 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.550 0.959 -7.578 1.00 1.50 O ATOM 0 H ASP A 21 10.396 3.601 -5.344 1.00 0.70 H new ATOM 0 HA ASP A 21 9.225 4.990 -7.359 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.248 2.629 -5.711 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.273 3.293 -7.007 1.00 0.87 H new ATOM 339 N THR A 22 6.893 5.983 -6.409 1.00 0.63 N ATOM 340 CA THR A 22 5.896 6.704 -5.681 1.00 0.58 C ATOM 341 C THR A 22 4.849 5.772 -5.175 1.00 0.53 C ATOM 342 O THR A 22 4.754 4.630 -5.620 1.00 0.58 O ATOM 343 CB THR A 22 5.220 7.780 -6.479 1.00 0.63 C ATOM 344 OG1 THR A 22 4.629 7.309 -7.681 1.00 0.70 O ATOM 345 CG2 THR A 22 6.243 8.824 -6.956 1.00 0.75 C ATOM 0 H THR A 22 6.834 6.061 -7.424 1.00 0.63 H new ATOM 0 HA THR A 22 6.429 7.186 -4.861 1.00 0.58 H new ATOM 0 HB THR A 22 4.464 8.180 -5.803 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.205 8.057 -8.152 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.733 9.596 -7.533 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.729 9.278 -6.092 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.993 8.339 -7.581 1.00 0.75 H new ATOM 353 N ILE A 23 3.991 6.151 -4.211 1.00 0.51 N ATOM 354 CA ILE A 23 2.893 5.405 -3.678 1.00 0.48 C ATOM 355 C ILE A 23 1.769 5.190 -4.631 1.00 0.48 C ATOM 356 O ILE A 23 1.154 4.130 -4.742 1.00 0.51 O ATOM 357 CB ILE A 23 2.440 5.989 -2.373 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.556 5.670 -1.364 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.140 5.454 -1.747 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.608 6.540 -0.109 1.00 0.73 C ATOM 0 H ILE A 23 4.075 7.064 -3.765 1.00 0.51 H new ATOM 0 HA ILE A 23 3.272 4.400 -3.491 1.00 0.48 H new ATOM 0 HB ILE A 23 2.237 7.038 -2.587 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.449 4.630 -1.054 1.00 0.60 H new ATOM 0 HG13 ILE A 23 4.514 5.753 -1.877 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.947 5.974 -0.809 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.310 5.623 -2.433 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.241 4.386 -1.556 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.436 6.218 0.523 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.753 7.582 -0.394 1.00 0.73 H new ATOM 0 HD13 ILE A 23 2.672 6.442 0.441 1.00 0.73 H new ATOM 372 N GLU A 24 1.446 6.147 -5.520 1.00 0.50 N ATOM 373 CA GLU A 24 0.758 5.970 -6.762 1.00 0.53 C ATOM 374 C GLU A 24 1.242 4.876 -7.650 1.00 0.50 C ATOM 375 O GLU A 24 0.471 4.177 -8.304 1.00 0.55 O ATOM 376 CB GLU A 24 0.797 7.310 -7.515 1.00 0.64 C ATOM 377 CG GLU A 24 -0.383 7.480 -8.473 1.00 0.95 C ATOM 378 CD GLU A 24 -0.045 8.621 -9.422 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.885 8.545 -10.268 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.903 9.544 -9.393 1.00 1.56 O ATOM 0 H GLU A 24 1.687 7.124 -5.355 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.251 5.653 -6.498 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.796 8.128 -6.794 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.729 7.381 -8.076 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.560 6.559 -9.029 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.296 7.700 -7.920 1.00 0.95 H new ATOM 387 N ASN A 25 2.562 4.629 -7.738 1.00 0.51 N ATOM 388 CA ASN A 25 3.057 3.548 -8.532 1.00 0.52 C ATOM 389 C ASN A 25 2.910 2.248 -7.819 1.00 0.47 C ATOM 390 O ASN A 25 2.654 1.221 -8.444 1.00 0.53 O ATOM 391 CB ASN A 25 4.538 3.748 -8.895 1.00 0.64 C ATOM 392 CG ASN A 25 5.048 3.023 -10.133 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.028 2.301 -9.951 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.464 3.198 -11.348 1.00 1.57 N ATOM 0 H ASN A 25 3.282 5.174 -7.263 1.00 0.51 H new ATOM 0 HA ASN A 25 2.463 3.532 -9.446 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.713 4.815 -9.031 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.141 3.432 -8.044 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.837 2.718 -12.167 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.653 3.809 -11.441 1.00 1.57 H new ATOM 401 N VAL A 26 2.964 2.211 -6.476 1.00 0.45 N ATOM 402 CA VAL A 26 2.651 1.053 -5.695 1.00 0.44 C ATOM 403 C VAL A 26 1.242 0.595 -5.858 1.00 0.40 C ATOM 404 O VAL A 26 1.058 -0.554 -6.255 1.00 0.44 O ATOM 405 CB VAL A 26 3.005 1.261 -4.252 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.538 0.123 -3.331 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.542 1.213 -4.310 1.00 0.62 C ATOM 0 H VAL A 26 3.235 3.017 -5.912 1.00 0.45 H new ATOM 0 HA VAL A 26 3.271 0.244 -6.082 1.00 0.44 H new ATOM 0 HB VAL A 26 2.548 2.167 -3.854 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.829 0.343 -2.304 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.453 0.030 -3.389 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.999 -0.813 -3.646 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.948 1.353 -3.308 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.861 0.246 -4.699 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.906 2.005 -4.964 1.00 0.62 H new ATOM 417 N LYS A 27 0.322 1.554 -5.648 1.00 0.40 N ATOM 418 CA LYS A 27 -1.090 1.396 -5.810 1.00 0.41 C ATOM 419 C LYS A 27 -1.506 0.794 -7.108 1.00 0.38 C ATOM 420 O LYS A 27 -2.391 -0.060 -7.169 1.00 0.42 O ATOM 421 CB LYS A 27 -1.853 2.700 -5.522 1.00 0.51 C ATOM 422 CG LYS A 27 -1.939 3.170 -4.069 1.00 0.76 C ATOM 423 CD LYS A 27 -2.959 4.290 -3.847 1.00 0.82 C ATOM 424 CE LYS A 27 -2.989 4.811 -2.409 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.012 5.881 -2.438 1.00 1.11 N ATOM 0 H LYS A 27 0.580 2.494 -5.348 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.371 0.662 -5.055 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.388 3.496 -6.104 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.870 2.583 -5.897 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.200 2.322 -3.436 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.956 3.516 -3.749 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.731 5.117 -4.520 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.951 3.926 -4.114 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.255 4.023 -1.704 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.016 5.197 -2.104 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.349 6.065 -1.472 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.595 6.749 -2.831 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.811 5.581 -3.032 1.00 1.11 H new ATOM 439 N ALA A 28 -0.857 1.194 -8.215 1.00 0.39 N ATOM 440 CA ALA A 28 -1.040 0.619 -9.512 1.00 0.39 C ATOM 441 C ALA A 28 -0.800 -0.852 -9.521 1.00 0.36 C ATOM 442 O ALA A 28 -1.504 -1.622 -10.172 1.00 0.42 O ATOM 443 CB ALA A 28 -0.117 1.377 -10.482 1.00 0.51 C ATOM 0 H ALA A 28 -0.174 1.952 -8.206 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.078 0.727 -9.827 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.228 0.966 -11.486 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.386 2.433 -10.490 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.918 1.269 -10.158 1.00 0.51 H new ATOM 449 N LYS A 29 0.193 -1.324 -8.747 1.00 0.39 N ATOM 450 CA LYS A 29 0.384 -2.736 -8.633 1.00 0.43 C ATOM 451 C LYS A 29 -0.625 -3.539 -7.886 1.00 0.44 C ATOM 452 O LYS A 29 -0.816 -4.742 -8.057 1.00 0.54 O ATOM 453 CB LYS A 29 1.790 -3.044 -8.093 1.00 0.54 C ATOM 454 CG LYS A 29 2.916 -2.443 -8.937 1.00 0.65 C ATOM 455 CD LYS A 29 4.212 -2.416 -8.124 1.00 1.08 C ATOM 456 CE LYS A 29 5.411 -1.859 -8.894 1.00 1.24 C ATOM 457 NZ LYS A 29 5.280 -0.465 -9.374 1.00 1.44 N ATOM 0 H LYS A 29 0.846 -0.749 -8.215 1.00 0.39 H new ATOM 0 HA LYS A 29 0.246 -3.067 -9.662 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.870 -2.666 -7.074 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.922 -4.125 -8.043 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.057 -3.031 -9.844 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.650 -1.433 -9.249 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.056 -1.815 -7.228 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.443 -3.428 -7.792 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.290 -1.921 -8.253 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.597 -2.503 -9.754 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.259 -0.456 -10.414 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.399 -0.053 -9.007 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.090 0.095 -9.039 1.00 1.44 H new ATOM 471 N ILE A 30 -1.346 -2.893 -6.954 1.00 0.41 N ATOM 472 CA ILE A 30 -2.375 -3.400 -6.099 1.00 0.44 C ATOM 473 C ILE A 30 -3.574 -3.495 -6.979 1.00 0.45 C ATOM 474 O ILE A 30 -4.290 -4.496 -6.976 1.00 0.56 O ATOM 475 CB ILE A 30 -2.579 -2.639 -4.823 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.318 -2.647 -3.942 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.728 -3.165 -3.947 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.375 -1.645 -2.790 1.00 1.32 C ATOM 0 H ILE A 30 -1.187 -1.900 -6.782 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.105 -4.373 -5.688 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.824 -1.634 -5.166 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.174 -3.648 -3.536 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.449 -2.427 -4.562 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.805 -2.558 -3.045 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.664 -3.110 -4.503 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.530 -4.201 -3.671 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.454 -1.704 -2.210 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.488 -0.637 -3.190 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.224 -1.878 -2.147 1.00 1.32 H new ATOM 490 N GLN A 31 -3.821 -2.484 -7.830 1.00 0.41 N ATOM 491 CA GLN A 31 -4.929 -2.436 -8.733 1.00 0.48 C ATOM 492 C GLN A 31 -4.868 -3.570 -9.698 1.00 0.52 C ATOM 493 O GLN A 31 -5.884 -4.229 -9.917 1.00 0.66 O ATOM 494 CB GLN A 31 -4.924 -1.060 -9.420 1.00 0.52 C ATOM 495 CG GLN A 31 -6.028 -0.717 -10.422 1.00 0.70 C ATOM 496 CD GLN A 31 -5.694 0.651 -10.999 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.477 1.596 -10.905 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.462 0.831 -11.544 1.00 1.43 N ATOM 0 H GLN A 31 -3.221 -1.662 -7.892 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.873 -2.551 -8.200 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.947 -0.303 -8.636 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.970 -0.956 -9.936 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.079 -1.467 -11.212 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.002 -0.702 -9.933 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.818 0.044 -11.619 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.182 1.753 -11.878 1.00 1.43 H new ATOM 507 N ASP A 32 -3.684 -3.782 -10.299 1.00 0.50 N ATOM 508 CA ASP A 32 -3.346 -4.917 -11.101 1.00 0.60 C ATOM 509 C ASP A 32 -3.791 -6.261 -10.637 1.00 0.65 C ATOM 510 O ASP A 32 -4.318 -7.087 -11.382 1.00 0.81 O ATOM 511 CB ASP A 32 -1.824 -4.903 -11.323 1.00 0.67 C ATOM 512 CG ASP A 32 -1.374 -5.898 -12.384 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.725 -5.790 -13.589 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.620 -6.824 -11.982 1.00 1.55 O ATOM 0 H ASP A 32 -2.914 -3.118 -10.219 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.919 -4.792 -12.019 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.513 -3.900 -11.617 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.322 -5.130 -10.382 1.00 0.67 H new ATOM 519 N LYS A 33 -3.551 -6.592 -9.357 1.00 0.62 N ATOM 520 CA LYS A 33 -3.782 -7.861 -8.736 1.00 0.73 C ATOM 521 C LYS A 33 -5.233 -7.978 -8.419 1.00 0.69 C ATOM 522 O LYS A 33 -5.900 -8.819 -9.020 1.00 0.83 O ATOM 523 CB LYS A 33 -2.890 -8.106 -7.509 1.00 0.85 C ATOM 524 CG LYS A 33 -1.408 -8.092 -7.890 1.00 1.31 C ATOM 525 CD LYS A 33 -0.553 -8.619 -6.736 1.00 1.71 C ATOM 526 CE LYS A 33 0.957 -8.782 -6.918 1.00 2.26 C ATOM 527 NZ LYS A 33 1.135 -9.925 -7.842 1.00 2.62 N ATOM 0 H LYS A 33 -3.162 -5.914 -8.701 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.501 -8.647 -9.436 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.082 -7.340 -6.758 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.143 -9.065 -7.058 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.249 -8.704 -8.777 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.101 -7.077 -8.144 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.708 -7.953 -5.887 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.953 -9.593 -6.454 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.401 -7.875 -7.329 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.447 -8.972 -5.963 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.150 -10.085 -8.005 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.713 -10.778 -7.424 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.668 -9.716 -8.747 1.00 2.62 H new ATOM 541 N GLU A 34 -5.809 -7.096 -7.583 1.00 0.63 N ATOM 542 CA GLU A 34 -7.079 -7.299 -6.959 1.00 0.67 C ATOM 543 C GLU A 34 -8.154 -6.527 -7.643 1.00 0.69 C ATOM 544 O GLU A 34 -9.334 -6.837 -7.483 1.00 0.95 O ATOM 545 CB GLU A 34 -7.017 -6.752 -5.522 1.00 0.73 C ATOM 546 CG GLU A 34 -6.072 -7.594 -4.662 1.00 0.83 C ATOM 547 CD GLU A 34 -6.402 -9.079 -4.715 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.537 -9.504 -4.371 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.450 -9.859 -4.986 1.00 1.37 O ATOM 0 H GLU A 34 -5.374 -6.208 -7.332 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.297 -8.366 -6.999 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.678 -5.716 -5.536 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -8.015 -6.754 -5.083 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.047 -7.441 -4.998 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.123 -7.250 -3.629 1.00 0.83 H new ATOM 556 N GLY A 35 -7.780 -5.521 -8.454 1.00 0.63 N ATOM 557 CA GLY A 35 -8.721 -4.809 -9.262 1.00 0.68 C ATOM 558 C GLY A 35 -9.457 -3.691 -8.610 1.00 0.76 C ATOM 559 O GLY A 35 -10.665 -3.498 -8.740 1.00 1.12 O ATOM 0 H GLY A 35 -6.817 -5.199 -8.550 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.192 -4.408 -10.126 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.453 -5.523 -9.639 1.00 0.68 H new ATOM 563 N ILE A 36 -8.709 -2.836 -7.892 1.00 0.70 N ATOM 564 CA ILE A 36 -9.258 -1.778 -7.100 1.00 0.76 C ATOM 565 C ILE A 36 -8.613 -0.467 -7.389 1.00 0.71 C ATOM 566 O ILE A 36 -7.394 -0.298 -7.392 1.00 0.73 O ATOM 567 CB ILE A 36 -9.037 -2.094 -5.651 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.238 -3.576 -5.295 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.867 -1.087 -4.837 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.894 -4.004 -3.870 1.00 1.16 C ATOM 0 H ILE A 36 -7.690 -2.881 -7.861 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.318 -1.701 -7.341 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.987 -1.968 -5.387 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.282 -3.830 -5.481 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.637 -4.173 -5.981 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.734 -1.282 -3.773 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.535 -0.074 -5.064 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.921 -1.190 -5.096 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.082 -5.072 -3.755 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.842 -3.797 -3.672 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.512 -3.449 -3.164 1.00 1.16 H new ATOM 582 N PRO A 37 -9.307 0.598 -7.660 1.00 0.75 N ATOM 583 CA PRO A 37 -8.586 1.795 -7.982 1.00 0.79 C ATOM 584 C PRO A 37 -7.682 2.435 -6.985 1.00 0.75 C ATOM 585 O PRO A 37 -7.913 2.130 -5.817 1.00 0.75 O ATOM 586 CB PRO A 37 -9.658 2.782 -8.438 1.00 0.95 C ATOM 587 CG PRO A 37 -10.726 1.834 -9.009 1.00 1.02 C ATOM 588 CD PRO A 37 -10.710 0.638 -8.042 1.00 0.85 C ATOM 0 HA PRO A 37 -7.843 1.495 -8.721 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.041 3.382 -7.612 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.283 3.477 -9.189 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.706 2.309 -9.041 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.486 1.528 -10.027 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.365 0.794 -7.185 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.031 -0.285 -8.525 1.00 0.85 H new ATOM 596 N PRO A 38 -6.740 3.304 -7.205 1.00 0.81 N ATOM 597 CA PRO A 38 -5.919 3.815 -6.147 1.00 0.85 C ATOM 598 C PRO A 38 -6.624 4.819 -5.302 1.00 0.89 C ATOM 599 O PRO A 38 -6.153 5.239 -4.246 1.00 0.99 O ATOM 600 CB PRO A 38 -4.809 4.450 -6.982 1.00 1.01 C ATOM 601 CG PRO A 38 -5.386 4.889 -8.337 1.00 1.25 C ATOM 602 CD PRO A 38 -6.194 3.594 -8.522 1.00 0.98 C ATOM 0 HA PRO A 38 -5.595 3.071 -5.419 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.388 5.308 -6.457 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.997 3.738 -7.132 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.997 5.790 -8.288 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.633 5.056 -9.107 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.987 3.724 -9.259 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.561 2.780 -8.876 1.00 0.98 H new ATOM 610 N ASP A 39 -7.755 5.291 -5.858 1.00 0.96 N ATOM 611 CA ASP A 39 -8.729 6.157 -5.269 1.00 1.11 C ATOM 612 C ASP A 39 -9.307 5.503 -4.062 1.00 1.00 C ATOM 613 O ASP A 39 -9.407 6.091 -2.986 1.00 1.14 O ATOM 614 CB ASP A 39 -9.836 6.492 -6.283 1.00 1.39 C ATOM 615 CG ASP A 39 -9.179 7.200 -7.459 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.457 8.193 -7.175 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.248 6.777 -8.644 1.00 2.25 O ATOM 0 H ASP A 39 -8.009 5.040 -6.813 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.248 7.090 -4.975 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.340 5.584 -6.615 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.594 7.129 -5.827 1.00 1.39 H new ATOM 622 N GLN A 40 -9.667 4.215 -4.206 1.00 0.87 N ATOM 623 CA GLN A 40 -10.342 3.466 -3.192 1.00 0.84 C ATOM 624 C GLN A 40 -9.403 2.893 -2.187 1.00 0.67 C ATOM 625 O GLN A 40 -9.755 2.758 -1.017 1.00 0.80 O ATOM 626 CB GLN A 40 -11.126 2.365 -3.925 1.00 0.95 C ATOM 627 CG GLN A 40 -12.270 3.034 -4.689 1.00 1.32 C ATOM 628 CD GLN A 40 -13.149 1.975 -5.339 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.239 0.796 -5.000 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.702 2.367 -6.518 1.00 2.02 N ATOM 0 H GLN A 40 -9.483 3.678 -5.054 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.006 4.113 -2.619 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.474 1.824 -4.611 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.516 1.636 -3.214 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.864 3.645 -4.009 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.868 3.703 -5.450 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.636 3.341 -6.813 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.183 1.687 -7.107 1.00 2.02 H new ATOM 639 N GLN A 41 -8.142 2.620 -2.568 1.00 0.56 N ATOM 640 CA GLN A 41 -7.139 2.025 -1.740 1.00 0.51 C ATOM 641 C GLN A 41 -6.584 3.024 -0.783 1.00 0.49 C ATOM 642 O GLN A 41 -5.817 3.933 -1.096 1.00 0.65 O ATOM 643 CB GLN A 41 -5.899 1.573 -2.531 1.00 0.67 C ATOM 644 CG GLN A 41 -6.259 0.506 -3.565 1.00 0.69 C ATOM 645 CD GLN A 41 -5.019 0.262 -4.413 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.876 0.399 -3.979 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.286 -0.037 -5.712 1.00 0.61 N ATOM 0 H GLN A 41 -7.804 2.827 -3.508 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.644 1.186 -1.262 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.451 2.432 -3.032 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.150 1.179 -1.844 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.576 -0.414 -3.074 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.091 0.838 -4.187 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.252 -0.140 -6.023 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.521 -0.158 -6.375 1.00 0.61 H new ATOM 656 N ARG A 42 -6.903 2.916 0.520 1.00 0.47 N ATOM 657 CA ARG A 42 -6.253 3.633 1.572 1.00 0.55 C ATOM 658 C ARG A 42 -5.191 2.708 2.055 1.00 0.46 C ATOM 659 O ARG A 42 -5.498 1.600 2.493 1.00 0.52 O ATOM 660 CB ARG A 42 -7.298 3.882 2.674 1.00 0.73 C ATOM 661 CG ARG A 42 -6.574 4.314 3.950 1.00 1.04 C ATOM 662 CD ARG A 42 -7.491 4.879 5.036 1.00 1.28 C ATOM 663 NE ARG A 42 -8.016 6.227 4.678 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.547 7.103 5.580 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.544 6.829 6.918 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.223 8.198 5.128 1.00 2.78 N ATOM 0 H ARG A 42 -7.646 2.302 0.854 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.833 4.592 1.268 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.002 4.653 2.360 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.877 2.977 2.857 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.036 3.457 4.356 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.828 5.067 3.693 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.325 4.196 5.197 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.944 4.941 5.976 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.976 6.512 3.700 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.140 5.957 7.259 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.946 7.497 7.576 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.327 8.355 4.126 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.624 8.860 5.792 1.00 2.78 H new ATOM 680 N LEU A 43 -3.892 3.054 1.992 1.00 0.46 N ATOM 681 CA LEU A 43 -2.808 2.294 2.531 1.00 0.42 C ATOM 682 C LEU A 43 -2.436 2.866 3.855 1.00 0.43 C ATOM 683 O LEU A 43 -2.223 4.077 3.880 1.00 0.55 O ATOM 684 CB LEU A 43 -1.541 2.275 1.660 1.00 0.55 C ATOM 685 CG LEU A 43 -1.812 2.119 0.154 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.434 2.052 -0.525 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.767 0.938 -0.093 1.00 1.12 C ATOM 0 H LEU A 43 -3.582 3.914 1.539 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.167 1.267 2.593 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.987 3.199 1.824 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.900 1.457 1.989 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.346 2.958 -0.292 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.564 1.941 -1.601 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.118 2.969 -0.319 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.122 1.199 -0.136 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.952 0.837 -1.162 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -2.317 0.020 0.286 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.710 1.119 0.423 1.00 1.12 H new ATOM 699 N ILE A 44 -2.166 1.972 4.823 1.00 0.42 N ATOM 700 CA ILE A 44 -1.827 2.368 6.155 1.00 0.46 C ATOM 701 C ILE A 44 -0.518 1.683 6.351 1.00 0.42 C ATOM 702 O ILE A 44 -0.333 0.475 6.208 1.00 0.53 O ATOM 703 CB ILE A 44 -2.855 2.152 7.225 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.261 2.315 6.624 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.544 3.163 8.342 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.303 2.278 7.741 1.00 1.27 C ATOM 0 H ILE A 44 -2.183 0.962 4.680 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.773 3.451 6.261 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.826 1.146 7.644 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.328 3.258 6.081 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.455 1.519 5.905 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.267 3.047 9.149 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.540 2.984 8.726 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.605 4.176 7.943 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.299 2.394 7.313 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.241 1.324 8.265 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.113 3.090 8.443 1.00 1.27 H new ATOM 718 N PHE A 45 0.440 2.454 6.895 1.00 0.42 N ATOM 719 CA PHE A 45 1.698 1.953 7.355 1.00 0.46 C ATOM 720 C PHE A 45 1.649 1.748 8.830 1.00 0.68 C ATOM 721 O PHE A 45 0.899 0.905 9.318 1.00 1.50 O ATOM 722 CB PHE A 45 2.894 2.776 6.846 1.00 0.56 C ATOM 723 CG PHE A 45 4.240 2.241 7.195 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.427 0.879 7.145 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.213 3.054 7.727 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.519 0.343 7.785 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.352 2.501 8.265 1.00 1.33 C ATOM 728 CZ PHE A 45 6.493 1.136 8.345 1.00 1.02 C ATOM 0 H PHE A 45 0.335 3.461 7.019 1.00 0.42 H new ATOM 0 HA PHE A 45 1.875 0.973 6.913 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.824 2.853 5.761 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.811 3.788 7.243 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.732 0.245 6.615 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.083 4.126 7.722 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.615 -0.731 7.850 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.141 3.144 8.627 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.349 0.697 8.836 1.00 1.02 H new ATOM 738 N ALA A 46 2.311 2.586 9.648 1.00 0.81 N ATOM 739 CA ALA A 46 2.201 2.393 11.061 1.00 0.96 C ATOM 740 C ALA A 46 1.034 3.142 11.607 1.00 0.97 C ATOM 741 O ALA A 46 0.200 2.538 12.280 1.00 1.21 O ATOM 742 CB ALA A 46 3.508 2.817 11.751 1.00 1.20 C ATOM 0 H ALA A 46 2.898 3.365 9.350 1.00 0.81 H new ATOM 0 HA ALA A 46 2.034 1.335 11.261 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.417 2.667 12.827 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.333 2.215 11.370 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.702 3.870 11.547 1.00 1.20 H new ATOM 748 N GLY A 47 0.923 4.447 11.301 1.00 0.99 N ATOM 749 CA GLY A 47 0.015 5.419 11.825 1.00 1.10 C ATOM 750 C GLY A 47 -0.365 6.296 10.683 1.00 1.03 C ATOM 751 O GLY A 47 -1.536 6.641 10.540 1.00 1.30 O ATOM 0 H GLY A 47 1.542 4.865 10.606 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.864 4.938 12.255 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.483 5.998 12.621 1.00 1.10 H new ATOM 755 N LYS A 48 0.614 6.630 9.823 1.00 0.98 N ATOM 756 CA LYS A 48 0.354 7.438 8.673 1.00 1.05 C ATOM 757 C LYS A 48 -0.356 6.697 7.593 1.00 0.84 C ATOM 758 O LYS A 48 -0.119 5.502 7.425 1.00 0.81 O ATOM 759 CB LYS A 48 1.576 8.084 7.998 1.00 1.42 C ATOM 760 CG LYS A 48 2.472 8.886 8.944 1.00 1.61 C ATOM 761 CD LYS A 48 1.801 10.201 9.346 1.00 1.87 C ATOM 762 CE LYS A 48 2.616 10.914 10.428 1.00 2.22 C ATOM 763 NZ LYS A 48 1.950 12.205 10.707 1.00 2.55 N ATOM 0 H LYS A 48 1.587 6.340 9.925 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.258 8.225 9.113 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.172 7.301 7.529 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.230 8.742 7.201 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.688 8.296 9.835 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.426 9.093 8.460 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.702 10.847 8.473 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.794 10.004 9.713 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.668 10.306 11.331 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.640 11.076 10.093 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 2.480 12.717 11.441 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 1.921 12.776 9.838 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 0.980 12.031 11.039 1.00 2.55 H new ATOM 777 N GLN A 49 -1.231 7.355 6.811 1.00 0.84 N ATOM 778 CA GLN A 49 -1.862 6.829 5.640 1.00 0.80 C ATOM 779 C GLN A 49 -0.980 7.399 4.583 1.00 0.72 C ATOM 780 O GLN A 49 -0.422 8.494 4.646 1.00 0.83 O ATOM 781 CB GLN A 49 -3.248 7.372 5.253 1.00 1.03 C ATOM 782 CG GLN A 49 -4.337 6.886 6.213 1.00 1.67 C ATOM 783 CD GLN A 49 -4.386 7.539 7.586 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.492 7.094 8.728 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.518 8.884 7.429 1.00 2.48 N ATOM 0 H GLN A 49 -1.515 8.314 7.010 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.990 5.755 5.779 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.224 8.462 5.252 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.491 7.058 4.238 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.304 7.034 5.732 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.212 5.812 6.352 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.438 9.299 6.501 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.697 9.477 8.239 1.00 2.48 H new ATOM 794 N LEU A 50 -0.773 6.647 3.487 1.00 0.69 N ATOM 795 CA LEU A 50 0.227 7.012 2.532 1.00 0.66 C ATOM 796 C LEU A 50 -0.441 7.697 1.388 1.00 0.72 C ATOM 797 O LEU A 50 -1.379 7.285 0.708 1.00 0.90 O ATOM 798 CB LEU A 50 0.843 5.708 1.998 1.00 0.65 C ATOM 799 CG LEU A 50 1.449 4.840 3.115 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.071 3.592 2.464 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.351 5.575 4.121 1.00 0.74 C ATOM 0 H LEU A 50 -1.291 5.797 3.264 1.00 0.69 H new ATOM 0 HA LEU A 50 0.979 7.660 2.982 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.077 5.137 1.474 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.617 5.948 1.269 1.00 0.65 H new ATOM 0 HG LEU A 50 0.645 4.529 3.782 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.508 2.959 3.236 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.299 3.036 1.933 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.847 3.896 1.762 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.722 4.867 4.862 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.193 6.024 3.594 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.778 6.356 4.621 1.00 0.74 H new ATOM 813 N GLU A 51 0.005 8.948 1.176 1.00 0.70 N ATOM 814 CA GLU A 51 -0.276 9.811 0.072 1.00 0.76 C ATOM 815 C GLU A 51 0.375 9.401 -1.205 1.00 0.77 C ATOM 816 O GLU A 51 1.582 9.170 -1.264 1.00 1.23 O ATOM 817 CB GLU A 51 0.288 11.220 0.321 1.00 0.88 C ATOM 818 CG GLU A 51 0.222 12.266 -0.794 1.00 1.35 C ATOM 819 CD GLU A 51 0.434 13.651 -0.199 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.540 13.923 0.341 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.561 14.422 -0.258 1.00 1.89 O ATOM 0 H GLU A 51 0.626 9.398 1.849 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.362 9.771 -0.013 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.232 11.632 1.186 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.335 11.108 0.602 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.984 12.061 -1.546 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.744 12.218 -1.297 1.00 1.35 H new ATOM 828 N ASP A 52 -0.368 9.297 -2.320 1.00 0.66 N ATOM 829 CA ASP A 52 -0.053 8.847 -3.641 1.00 0.65 C ATOM 830 C ASP A 52 1.165 9.414 -4.287 1.00 0.60 C ATOM 831 O ASP A 52 2.025 8.716 -4.821 1.00 0.62 O ATOM 832 CB ASP A 52 -1.297 9.008 -4.531 1.00 0.81 C ATOM 833 CG ASP A 52 -2.582 8.664 -3.790 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.971 9.499 -2.930 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.275 7.657 -4.093 1.00 1.56 O ATOM 0 H ASP A 52 -1.348 9.576 -2.281 1.00 0.66 H new ATOM 0 HA ASP A 52 0.225 7.799 -3.525 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.352 10.035 -4.893 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.201 8.366 -5.406 1.00 0.81 H new ATOM 840 N GLY A 53 1.301 10.751 -4.232 1.00 0.68 N ATOM 841 CA GLY A 53 2.446 11.438 -4.743 1.00 0.73 C ATOM 842 C GLY A 53 3.753 11.291 -4.043 1.00 0.72 C ATOM 843 O GLY A 53 4.757 11.777 -4.561 1.00 0.97 O ATOM 0 H GLY A 53 0.599 11.368 -3.823 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.588 11.117 -5.775 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.206 12.501 -4.770 1.00 0.73 H new ATOM 847 N ARG A 54 3.772 10.677 -2.846 1.00 0.64 N ATOM 848 CA ARG A 54 4.991 10.489 -2.122 1.00 0.63 C ATOM 849 C ARG A 54 5.593 9.181 -2.505 1.00 0.59 C ATOM 850 O ARG A 54 4.965 8.402 -3.220 1.00 0.62 O ATOM 851 CB ARG A 54 4.797 10.397 -0.598 1.00 0.69 C ATOM 852 CG ARG A 54 4.275 11.731 -0.061 1.00 0.82 C ATOM 853 CD ARG A 54 5.194 12.933 -0.290 1.00 1.18 C ATOM 854 NE ARG A 54 4.481 14.104 0.293 1.00 1.50 N ATOM 855 CZ ARG A 54 5.056 15.214 0.843 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.352 15.556 0.584 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.282 16.220 1.345 1.00 2.49 N ATOM 0 H ARG A 54 2.942 10.310 -2.379 1.00 0.64 H new ATOM 0 HA ARG A 54 5.607 11.354 -2.366 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.095 9.598 -0.359 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.742 10.145 -0.116 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.311 11.938 -0.525 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.098 11.629 1.010 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.160 12.784 0.191 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.387 13.081 -1.353 1.00 1.18 H new ATOM 0 HE ARG A 54 3.462 14.074 0.280 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.918 14.976 -0.035 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.754 16.391 1.010 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.265 16.146 1.311 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.720 17.045 1.754 1.00 2.49 H new ATOM 871 N THR A 55 6.783 8.888 -1.950 1.00 0.63 N ATOM 872 CA THR A 55 7.470 7.641 -2.084 1.00 0.61 C ATOM 873 C THR A 55 7.401 6.922 -0.781 1.00 0.59 C ATOM 874 O THR A 55 7.146 7.561 0.238 1.00 0.64 O ATOM 875 CB THR A 55 8.889 7.745 -2.557 1.00 0.68 C ATOM 876 OG1 THR A 55 9.745 8.303 -1.571 1.00 0.75 O ATOM 877 CG2 THR A 55 9.028 8.639 -3.801 1.00 0.76 C ATOM 0 H THR A 55 7.293 9.559 -1.376 1.00 0.63 H new ATOM 0 HA THR A 55 6.963 7.086 -2.873 1.00 0.61 H new ATOM 0 HB THR A 55 9.176 6.719 -2.785 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.329 9.105 -1.193 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.074 8.682 -4.103 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.432 8.226 -4.614 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.677 9.644 -3.568 1.00 0.76 H new ATOM 885 N LEU A 56 7.697 5.610 -0.774 1.00 0.58 N ATOM 886 CA LEU A 56 7.849 4.800 0.394 1.00 0.59 C ATOM 887 C LEU A 56 8.918 5.329 1.288 1.00 0.64 C ATOM 888 O LEU A 56 8.923 5.159 2.506 1.00 0.70 O ATOM 889 CB LEU A 56 8.222 3.369 -0.029 1.00 0.60 C ATOM 890 CG LEU A 56 7.338 2.592 -1.018 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.966 1.202 -1.221 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.887 2.413 -0.541 1.00 1.03 C ATOM 0 H LEU A 56 7.839 5.084 -1.636 1.00 0.58 H new ATOM 0 HA LEU A 56 6.905 4.810 0.939 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.224 3.411 -0.457 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.289 2.772 0.880 1.00 0.60 H new ATOM 0 HG LEU A 56 7.293 3.170 -1.941 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.359 0.627 -1.920 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.973 1.313 -1.622 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.011 0.680 -0.265 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.324 1.856 -1.290 1.00 1.03 H new ATOM 0 HD22 LEU A 56 5.879 1.865 0.401 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.428 3.391 -0.396 1.00 1.03 H new ATOM 904 N SER A 57 9.961 5.924 0.683 1.00 0.68 N ATOM 905 CA SER A 57 11.060 6.557 1.342 1.00 0.75 C ATOM 906 C SER A 57 10.799 7.767 2.171 1.00 0.76 C ATOM 907 O SER A 57 11.371 7.872 3.255 1.00 0.84 O ATOM 908 CB SER A 57 12.191 6.958 0.380 1.00 0.84 C ATOM 909 OG SER A 57 13.440 6.967 1.056 1.00 1.19 O ATOM 0 H SER A 57 10.041 5.965 -0.333 1.00 0.68 H new ATOM 0 HA SER A 57 11.328 5.749 2.022 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.229 6.261 -0.457 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.989 7.945 -0.036 1.00 0.84 H new ATOM 0 HG SER A 57 14.149 7.223 0.430 1.00 1.19 H new ATOM 915 N ASP A 58 9.859 8.676 1.852 1.00 0.75 N ATOM 916 CA ASP A 58 9.572 9.826 2.652 1.00 0.78 C ATOM 917 C ASP A 58 8.964 9.452 3.960 1.00 0.77 C ATOM 918 O ASP A 58 9.176 10.156 4.945 1.00 0.86 O ATOM 919 CB ASP A 58 8.480 10.552 1.848 1.00 0.83 C ATOM 920 CG ASP A 58 9.055 11.114 0.556 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.089 11.832 0.602 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.513 10.693 -0.501 1.00 1.86 O ATOM 0 H ASP A 58 9.282 8.609 1.013 1.00 0.75 H new ATOM 0 HA ASP A 58 10.476 10.401 2.853 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.667 9.862 1.621 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.056 11.359 2.446 1.00 0.83 H new ATOM 927 N TYR A 59 8.212 8.343 4.083 1.00 0.72 N ATOM 928 CA TYR A 59 7.562 7.786 5.229 1.00 0.73 C ATOM 929 C TYR A 59 8.418 6.786 5.928 1.00 0.76 C ATOM 930 O TYR A 59 8.036 6.287 6.985 1.00 0.89 O ATOM 931 CB TYR A 59 6.278 7.097 4.738 1.00 0.73 C ATOM 932 CG TYR A 59 5.270 8.120 4.340 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.677 8.912 5.296 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.831 8.240 3.042 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.679 9.815 5.016 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.688 8.968 2.812 1.00 0.70 C ATOM 937 CZ TYR A 59 3.097 9.756 3.772 1.00 0.74 C ATOM 938 OH TYR A 59 1.824 10.254 3.419 1.00 0.86 O ATOM 0 H TYR A 59 8.040 7.761 3.263 1.00 0.72 H new ATOM 0 HA TYR A 59 7.350 8.584 5.941 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.504 6.449 3.891 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.872 6.462 5.526 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.013 8.820 6.318 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.368 7.776 2.228 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.364 10.545 5.747 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.234 8.919 1.833 1.00 0.70 H new ATOM 0 HH TYR A 59 1.130 9.686 3.814 1.00 0.86 H new ATOM 948 N ASN A 60 9.573 6.442 5.329 1.00 0.74 N ATOM 949 CA ASN A 60 10.554 5.558 5.877 1.00 0.79 C ATOM 950 C ASN A 60 9.968 4.202 6.072 1.00 0.75 C ATOM 951 O ASN A 60 9.883 3.656 7.172 1.00 0.86 O ATOM 952 CB ASN A 60 11.259 6.254 7.054 1.00 0.95 C ATOM 953 CG ASN A 60 12.037 7.473 6.581 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.015 7.256 5.867 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.597 8.683 7.020 1.00 1.83 N ATOM 0 H ASN A 60 9.836 6.801 4.411 1.00 0.74 H new ATOM 0 HA ASN A 60 11.378 5.345 5.197 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.521 6.555 7.798 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.936 5.553 7.543 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.096 9.533 6.757 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.768 8.740 7.612 1.00 1.83 H new ATOM 962 N ILE A 61 9.515 3.567 4.976 1.00 0.67 N ATOM 963 CA ILE A 61 9.033 2.225 4.871 1.00 0.65 C ATOM 964 C ILE A 61 10.182 1.291 4.707 1.00 0.66 C ATOM 965 O ILE A 61 11.090 1.606 3.940 1.00 0.75 O ATOM 966 CB ILE A 61 7.906 2.197 3.880 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.921 3.306 4.283 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.398 0.745 3.849 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.616 3.274 3.487 1.00 0.82 C ATOM 0 H ILE A 61 9.484 4.044 4.075 1.00 0.67 H new ATOM 0 HA ILE A 61 8.567 1.843 5.779 1.00 0.65 H new ATOM 0 HB ILE A 61 8.158 2.430 2.846 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.693 3.212 5.345 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.399 4.275 4.144 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.573 0.663 3.141 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.207 0.083 3.541 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.053 0.459 4.843 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.966 4.083 3.821 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.834 3.398 2.426 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.117 2.318 3.645 1.00 0.82 H new ATOM 981 N GLN A 62 10.271 0.199 5.487 1.00 0.67 N ATOM 982 CA GLN A 62 11.419 -0.654 5.524 1.00 0.70 C ATOM 983 C GLN A 62 11.270 -1.906 4.729 1.00 0.62 C ATOM 984 O GLN A 62 10.183 -2.114 4.193 1.00 0.64 O ATOM 985 CB GLN A 62 11.731 -1.039 6.980 1.00 0.85 C ATOM 986 CG GLN A 62 11.829 0.122 7.973 1.00 1.27 C ATOM 987 CD GLN A 62 12.337 -0.392 9.312 1.00 1.57 C ATOM 988 OE1 GLN A 62 11.553 -0.735 10.196 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.689 -0.439 9.443 1.00 2.16 N ATOM 0 H GLN A 62 9.522 -0.100 6.111 1.00 0.67 H new ATOM 0 HA GLN A 62 12.230 -0.081 5.075 1.00 0.70 H new ATOM 0 HB2 GLN A 62 10.958 -1.725 7.328 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.674 -1.586 6.997 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.502 0.888 7.587 1.00 1.27 H new ATOM 0 HG3 GLN A 62 10.852 0.590 8.099 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.287 -0.140 8.672 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.106 -0.773 10.312 1.00 2.16 H new ATOM 998 N LYS A 63 12.308 -2.760 4.673 1.00 0.64 N ATOM 999 CA LYS A 63 12.328 -4.060 4.078 1.00 0.62 C ATOM 1000 C LYS A 63 11.158 -4.941 4.355 1.00 0.59 C ATOM 1001 O LYS A 63 10.261 -5.004 3.517 1.00 0.66 O ATOM 1002 CB LYS A 63 13.628 -4.841 4.338 1.00 0.74 C ATOM 1003 CG LYS A 63 13.792 -6.057 3.425 1.00 0.89 C ATOM 1004 CD LYS A 63 15.143 -6.774 3.442 1.00 1.11 C ATOM 1005 CE LYS A 63 15.285 -7.872 2.386 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.051 -8.688 2.319 1.00 2.12 N ATOM 0 H LYS A 63 13.211 -2.517 5.080 1.00 0.64 H new ATOM 0 HA LYS A 63 12.265 -3.800 3.021 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.479 -4.174 4.200 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.645 -5.170 5.377 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.023 -6.782 3.689 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.593 -5.739 2.402 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.934 -6.039 3.293 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.296 -7.212 4.428 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.486 -7.425 1.412 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.137 -8.508 2.626 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 14.240 -9.559 1.783 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 13.744 -8.933 3.282 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 13.301 -8.145 1.845 1.00 2.12 H new ATOM 1020 N GLU A 64 11.103 -5.616 5.518 1.00 0.57 N ATOM 1021 CA GLU A 64 10.018 -6.506 5.789 1.00 0.58 C ATOM 1022 C GLU A 64 8.893 -5.868 6.529 1.00 0.56 C ATOM 1023 O GLU A 64 8.527 -6.234 7.644 1.00 0.70 O ATOM 1024 CB GLU A 64 10.456 -7.892 6.291 1.00 0.72 C ATOM 1025 CG GLU A 64 11.251 -8.042 7.590 1.00 0.96 C ATOM 1026 CD GLU A 64 12.745 -7.801 7.425 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.434 -8.759 6.983 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.296 -6.727 7.787 1.00 1.69 O ATOM 0 H GLU A 64 11.799 -5.547 6.260 1.00 0.57 H new ATOM 0 HA GLU A 64 9.576 -6.735 4.819 1.00 0.58 H new ATOM 0 HB2 GLU A 64 9.553 -8.494 6.397 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.050 -8.346 5.498 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.859 -7.343 8.328 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.096 -9.045 7.987 1.00 0.96 H new ATOM 1035 N SER A 65 8.340 -4.804 5.919 1.00 0.51 N ATOM 1036 CA SER A 65 7.321 -3.934 6.420 1.00 0.51 C ATOM 1037 C SER A 65 5.942 -4.352 6.039 1.00 0.43 C ATOM 1038 O SER A 65 5.810 -4.876 4.934 1.00 0.50 O ATOM 1039 CB SER A 65 7.427 -2.496 5.886 1.00 0.65 C ATOM 1040 OG SER A 65 7.458 -2.352 4.474 1.00 1.04 O ATOM 0 H SER A 65 8.637 -4.528 4.983 1.00 0.51 H new ATOM 0 HA SER A 65 7.484 -3.987 7.497 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.582 -1.925 6.270 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.330 -2.044 6.296 1.00 0.65 H new ATOM 0 HG SER A 65 8.385 -2.233 4.178 1.00 1.04 H new ATOM 1046 N THR A 66 4.946 -4.252 6.937 1.00 0.45 N ATOM 1047 CA THR A 66 3.653 -4.737 6.569 1.00 0.45 C ATOM 1048 C THR A 66 2.830 -3.503 6.422 1.00 0.43 C ATOM 1049 O THR A 66 2.776 -2.699 7.350 1.00 0.58 O ATOM 1050 CB THR A 66 2.929 -5.539 7.610 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.725 -6.659 7.970 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.626 -6.210 7.145 1.00 0.78 C ATOM 0 H THR A 66 5.026 -3.856 7.873 1.00 0.45 H new ATOM 0 HA THR A 66 3.785 -5.382 5.700 1.00 0.45 H new ATOM 0 HB THR A 66 2.723 -4.810 8.394 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.258 -7.187 8.651 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.185 -6.763 7.975 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.926 -5.447 6.804 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.842 -6.896 6.326 1.00 0.78 H new ATOM 1060 N LEU A 67 2.169 -3.220 5.285 1.00 0.38 N ATOM 1061 CA LEU A 67 1.238 -2.153 5.093 1.00 0.38 C ATOM 1062 C LEU A 67 -0.102 -2.782 5.260 1.00 0.37 C ATOM 1063 O LEU A 67 -0.354 -3.986 5.236 1.00 0.50 O ATOM 1064 CB LEU A 67 1.366 -1.503 3.705 1.00 0.46 C ATOM 1065 CG LEU A 67 2.565 -0.549 3.571 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.917 -1.241 3.817 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.557 0.132 2.192 1.00 1.31 C ATOM 0 H LEU A 67 2.296 -3.778 4.441 1.00 0.38 H new ATOM 0 HA LEU A 67 1.416 -1.345 5.803 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.453 -2.288 2.954 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.451 -0.953 3.486 1.00 0.46 H new ATOM 0 HG LEU A 67 2.452 0.204 4.351 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.723 -0.515 3.708 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.936 -1.655 4.825 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.052 -2.044 3.092 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.412 0.804 2.113 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.618 -0.626 1.411 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.635 0.702 2.073 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.134 -1.921 5.322 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.506 -2.269 5.519 1.00 0.37 C ATOM 1081 C HIS A 68 -3.215 -1.746 4.318 1.00 0.35 C ATOM 1082 O HIS A 68 -3.192 -0.553 4.021 1.00 0.48 O ATOM 1083 CB HIS A 68 -3.089 -1.736 6.838 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.222 -2.058 8.020 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.180 -1.275 8.472 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.180 -3.168 8.805 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.631 -1.904 9.545 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.199 -3.074 9.771 1.00 1.51 N ATOM 0 H HIS A 68 -0.999 -0.914 5.228 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.626 -3.348 5.618 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -3.214 -0.656 6.766 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -4.081 -2.162 6.992 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.877 -0.386 8.074 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.834 -4.019 8.687 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.172 -1.496 10.140 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.967 -2.598 3.598 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.872 -2.195 2.566 1.00 0.38 C ATOM 1098 C LEU A 69 -6.263 -2.052 3.081 1.00 0.41 C ATOM 1099 O LEU A 69 -6.937 -2.977 3.532 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.864 -3.253 1.450 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.649 -2.913 0.172 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.318 -1.623 -0.598 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.672 -4.154 -0.736 1.00 1.14 C ATOM 0 H LEU A 69 -3.944 -3.608 3.740 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.544 -1.227 2.188 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.828 -3.447 1.172 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.263 -4.181 1.858 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.642 -2.648 0.535 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.967 -1.543 -1.470 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.475 -0.761 0.051 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.277 -1.649 -0.921 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.226 -3.928 -1.647 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.651 -4.436 -0.993 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.156 -4.979 -0.213 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.724 -0.795 3.213 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.078 -0.511 3.574 1.00 0.56 C ATOM 1117 C VAL A 70 -8.740 0.121 2.399 1.00 0.55 C ATOM 1118 O VAL A 70 -8.124 0.737 1.531 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.087 0.386 4.776 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.537 0.702 5.179 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.380 -0.376 5.910 1.00 0.97 C ATOM 0 H VAL A 70 -6.149 0.035 3.067 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.624 -1.417 3.838 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.581 1.328 4.566 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.538 1.354 6.053 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.044 1.201 4.353 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.059 -0.225 5.417 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.363 0.241 6.808 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.917 -1.302 6.116 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.358 -0.608 5.610 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.062 -0.066 2.240 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.901 0.417 1.187 1.00 0.84 C ATOM 1133 C LEU A 71 -11.865 1.441 1.682 1.00 0.85 C ATOM 1134 O LEU A 71 -12.795 1.201 2.451 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.560 -0.744 0.423 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.674 -1.936 0.023 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.394 -3.012 -0.807 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.382 -1.559 -0.722 1.00 2.78 C ATOM 0 H LEU A 71 -10.595 -0.611 2.918 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.278 0.935 0.458 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.378 -1.125 1.034 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.004 -0.337 -0.486 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.413 -2.345 0.999 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.696 -3.815 -1.045 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.229 -3.415 -0.234 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.767 -2.570 -1.731 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.823 -2.464 -0.962 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.633 -1.032 -1.643 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.772 -0.914 -0.090 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.639 2.700 1.269 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.435 3.847 1.582 1.00 1.10 C ATOM 1152 C ARG A 72 -12.965 4.241 0.247 1.00 1.35 C ATOM 1153 O ARG A 72 -12.507 3.694 -0.756 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.549 4.886 2.289 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.359 4.720 3.797 1.00 1.65 C ATOM 1156 CD ARG A 72 -12.694 4.850 4.532 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.346 4.447 5.923 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.185 5.285 6.989 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.142 6.648 6.920 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.087 4.683 8.211 1.00 3.75 N ATOM 0 H ARG A 72 -10.844 2.933 0.674 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.260 3.700 2.278 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.566 4.869 1.819 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.973 5.874 2.107 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.917 3.746 4.007 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -10.662 5.473 4.165 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -13.081 5.868 4.491 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -13.457 4.201 4.102 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.216 3.450 6.096 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.234 7.116 6.018 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.018 7.198 7.770 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.135 3.667 8.284 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -11.965 5.250 9.050 1.00 3.75 H new ATOM 1174 N LEU A 73 -13.910 5.192 0.139 1.00 1.54 N ATOM 1175 CA LEU A 73 -14.341 5.669 -1.139 1.00 1.93 C ATOM 1176 C LEU A 73 -13.552 6.800 -1.704 1.00 2.13 C ATOM 1177 O LEU A 73 -12.577 7.286 -1.133 1.00 2.57 O ATOM 1178 CB LEU A 73 -15.848 5.965 -1.228 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.712 4.813 -0.688 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.200 5.200 -0.641 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -16.647 3.486 -1.464 1.00 3.14 C ATOM 0 H LEU A 73 -14.375 5.630 0.934 1.00 1.54 H new ATOM 0 HA LEU A 73 -14.134 4.808 -1.775 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.069 6.873 -0.668 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -16.115 6.158 -2.267 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.278 4.648 0.298 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.782 4.363 -0.255 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.331 6.064 0.010 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.543 5.447 -1.645 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.298 2.753 -0.987 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -16.975 3.648 -2.491 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -15.622 3.115 -1.465 1.00 3.14 H new ATOM 1193 N ARG A 74 -13.977 7.360 -2.852 1.00 2.32 N ATOM 1194 CA ARG A 74 -13.485 8.616 -3.329 1.00 2.55 C ATOM 1195 C ARG A 74 -13.955 9.777 -2.523 1.00 2.58 C ATOM 1196 O ARG A 74 -15.130 10.092 -2.339 1.00 3.08 O ATOM 1197 CB ARG A 74 -13.898 8.788 -4.800 1.00 3.29 C ATOM 1198 CG ARG A 74 -13.082 9.718 -5.701 1.00 4.01 C ATOM 1199 CD ARG A 74 -13.560 9.697 -7.154 1.00 4.67 C ATOM 1200 NE ARG A 74 -12.420 10.244 -7.943 1.00 5.36 N ATOM 1201 CZ ARG A 74 -12.360 10.534 -9.275 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -13.442 10.326 -10.081 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -11.264 11.092 -9.868 1.00 6.80 N ATOM 0 H ARG A 74 -14.675 6.932 -3.460 1.00 2.32 H new ATOM 0 HA ARG A 74 -12.399 8.600 -3.233 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -13.894 7.800 -5.260 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -14.929 9.141 -4.812 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -13.143 10.736 -5.317 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -12.033 9.426 -5.663 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -13.811 8.685 -7.472 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -14.457 10.303 -7.283 1.00 4.67 H new ATOM 0 HE ARG A 74 -11.567 10.427 -7.414 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -14.305 9.951 -9.689 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -13.387 10.546 -11.075 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -10.439 11.312 -9.310 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -11.271 11.289 -10.869 1.00 6.80 H new ATOM 1217 N GLY A 75 -13.062 10.619 -1.973 1.00 2.73 N ATOM 1218 CA GLY A 75 -13.451 11.569 -0.977 1.00 3.22 C ATOM 1219 C GLY A 75 -12.407 12.615 -0.782 1.00 3.16 C ATOM 1220 O GLY A 75 -12.147 13.109 0.314 1.00 3.57 O ATOM 0 H GLY A 75 -12.072 10.642 -2.217 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -14.389 12.040 -1.269 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -13.633 11.055 -0.033 1.00 3.22 H new ATOM 1224 N GLY A 76 -11.741 13.049 -1.866 1.00 3.14 N ATOM 1225 CA GLY A 76 -10.689 14.013 -1.772 1.00 3.37 C ATOM 1226 C GLY A 76 -9.685 13.950 -2.914 1.00 3.48 C ATOM 1227 O GLY A 76 -8.831 13.023 -2.891 1.00 3.87 O ATOM 1228 OXT GLY A 76 -9.879 14.725 -3.888 1.00 3.70 O ATOM 0 H GLY A 76 -11.933 12.729 -2.815 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -11.127 15.011 -1.742 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -10.161 13.868 -0.830 1.00 3.37 H new TER 1232 GLY A 76