USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 68 GLN : amide:sc=-0.000858 K(o=-0.43,f=-1.5) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.17) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -162:sc= 0.795 (180deg=0) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.14 K(o=-1.4,f=-1.9) USER MOD Set 2.3: A 96 GLN : amide:sc= -1.01 K(o=-1.4,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.239 (180deg=-0.931) USER MOD Single : A 2 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.0096) USER MOD Single : A 13 SER OG : rot 137:sc= 0.453 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -80:sc= -4.74 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -20:sc= -3.99 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.8! C(o=-2.5!,f=-1.8!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0773 F(o=-3.1!,f=-0.077) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.49 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -106:sc= -1.17 (180deg=-5.92!) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.147) USER MOD Single : A 73 HIS : no HD1:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -119:sc= -4.9! (180deg=-10!) USER MOD Single : A 82 THR OG1 : rot 99:sc= -0.105 USER MOD Single : A 84 HIS : no HD1:sc= -0.721 K(o=-0.72,f=-5.2!) USER MOD Single : A 85 SER OG : rot 100:sc= -0.0261 USER MOD Single : A 92 SER OG : rot 180:sc= -0.284 USER MOD Single : A 94 TYR OH : rot 27:sc= 0.107 USER MOD Single : A 101 TYR OH : rot 130:sc= -5.89! USER MOD Single : A 104 LYS NZ :NH3+ -103:sc= 0.475 (180deg=-1.8) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.81) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.614 -16.058 -1.208 1.00 0.00 N ATOM 2 CA MET A 1 12.237 -14.714 -0.693 1.00 0.00 C ATOM 3 C MET A 1 11.131 -14.087 -1.538 1.00 0.00 C ATOM 4 O MET A 1 10.944 -12.870 -1.525 1.00 0.00 O ATOM 5 CB MET A 1 13.479 -13.820 -0.709 1.00 0.00 C ATOM 6 CG MET A 1 14.048 -13.592 -2.101 1.00 0.00 C ATOM 7 SD MET A 1 15.850 -13.563 -2.122 1.00 0.00 S ATOM 8 CE MET A 1 16.156 -11.835 -2.481 1.00 0.00 C ATOM 0 H1 MET A 1 13.565 -16.306 -0.869 1.00 0.00 H new ATOM 0 H2 MET A 1 11.930 -16.764 -0.868 1.00 0.00 H new ATOM 0 H3 MET A 1 12.610 -16.045 -2.248 1.00 0.00 H new ATOM 0 HA MET A 1 11.857 -14.816 0.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.228 -12.856 -0.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.248 -14.269 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.694 -14.379 -2.767 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.669 -12.648 -2.493 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.230 -11.658 -2.527 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.705 -11.577 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.719 -11.217 -1.696 1.00 0.00 H new ATOM 20 N GLN A 2 10.402 -14.922 -2.272 1.00 0.00 N ATOM 21 CA GLN A 2 9.317 -14.447 -3.123 1.00 0.00 C ATOM 22 C GLN A 2 9.822 -13.412 -4.125 1.00 0.00 C ATOM 23 O GLN A 2 10.950 -12.930 -4.020 1.00 0.00 O ATOM 24 CB GLN A 2 8.199 -13.844 -2.271 1.00 0.00 C ATOM 25 CG GLN A 2 7.163 -14.861 -1.819 1.00 0.00 C ATOM 26 CD GLN A 2 7.697 -15.809 -0.762 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.602 -17.028 -0.901 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.261 -15.251 0.302 1.00 0.00 N ATOM 0 H GLN A 2 10.543 -15.932 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 2 8.924 -15.300 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.638 -13.370 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.701 -13.060 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.293 -14.336 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.825 -15.437 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.318 -14.235 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.637 -15.838 1.046 1.00 0.00 H new ATOM 37 N ARG A 3 8.979 -13.076 -5.095 1.00 0.00 N ATOM 38 CA ARG A 3 9.338 -12.098 -6.115 1.00 0.00 C ATOM 39 C ARG A 3 9.572 -10.723 -5.490 1.00 0.00 C ATOM 40 O ARG A 3 10.261 -9.878 -6.060 1.00 0.00 O ATOM 41 CB ARG A 3 8.240 -12.021 -7.179 1.00 0.00 C ATOM 42 CG ARG A 3 8.523 -11.017 -8.286 1.00 0.00 C ATOM 43 CD ARG A 3 9.159 -11.687 -9.492 1.00 0.00 C ATOM 44 NE ARG A 3 10.548 -12.061 -9.238 1.00 0.00 N ATOM 45 CZ ARG A 3 11.152 -13.108 -9.797 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.501 -13.884 -10.655 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.416 -13.377 -9.500 1.00 0.00 N ATOM 0 H ARG A 3 8.042 -13.467 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 3 10.266 -12.418 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.108 -13.008 -7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.298 -11.759 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.594 -10.532 -8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.184 -10.236 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.586 -12.576 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.115 -11.012 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 3 11.089 -11.485 -8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.530 -13.681 -10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.972 -14.684 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.924 -12.783 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.881 -14.178 -9.927 1.00 0.00 H new ATOM 61 N GLY A 4 9.001 -10.512 -4.309 1.00 0.00 N ATOM 62 CA GLY A 4 9.163 -9.244 -3.618 1.00 0.00 C ATOM 63 C GLY A 4 8.709 -8.059 -4.449 1.00 0.00 C ATOM 64 O GLY A 4 9.531 -7.321 -4.992 1.00 0.00 O ATOM 0 H GLY A 4 8.428 -11.197 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.596 -9.268 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.211 -9.113 -3.349 1.00 0.00 H new ATOM 68 N ILE A 5 7.397 -7.877 -4.544 1.00 0.00 N ATOM 69 CA ILE A 5 6.831 -6.773 -5.311 1.00 0.00 C ATOM 70 C ILE A 5 6.166 -5.754 -4.392 1.00 0.00 C ATOM 71 O ILE A 5 5.161 -6.051 -3.748 1.00 0.00 O ATOM 72 CB ILE A 5 5.785 -7.273 -6.325 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.317 -8.476 -7.103 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.376 -6.154 -7.276 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.876 -9.802 -6.526 1.00 0.00 C ATOM 0 H ILE A 5 6.705 -8.480 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 5 7.657 -6.304 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 5 4.901 -7.589 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.982 -8.408 -8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.406 -8.438 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.637 -6.530 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.947 -5.330 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.252 -5.801 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.288 -10.614 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.234 -9.890 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.788 -9.859 -6.536 1.00 0.00 H new ATOM 87 N VAL A 6 6.721 -4.549 -4.344 1.00 0.00 N ATOM 88 CA VAL A 6 6.163 -3.488 -3.511 1.00 0.00 C ATOM 89 C VAL A 6 5.444 -2.459 -4.378 1.00 0.00 C ATOM 90 O VAL A 6 6.059 -1.801 -5.209 1.00 0.00 O ATOM 91 CB VAL A 6 7.250 -2.780 -2.669 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.354 -2.221 -3.555 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.631 -1.679 -1.821 1.00 0.00 C ATOM 0 H VAL A 6 7.553 -4.282 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 6 5.456 -3.955 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 6 7.698 -3.519 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.104 -1.729 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.820 -3.034 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.930 -1.499 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.409 -1.191 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.152 -0.946 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.888 -2.111 -1.150 1.00 0.00 H new ATOM 103 N TRP A 7 4.135 -2.333 -4.195 1.00 0.00 N ATOM 104 CA TRP A 7 3.352 -1.389 -4.987 1.00 0.00 C ATOM 105 C TRP A 7 2.891 -0.206 -4.144 1.00 0.00 C ATOM 106 O TRP A 7 2.713 -0.327 -2.932 1.00 0.00 O ATOM 107 CB TRP A 7 2.174 -2.108 -5.637 1.00 0.00 C ATOM 108 CG TRP A 7 2.588 -2.891 -6.847 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.868 -3.174 -7.235 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.734 -3.485 -7.829 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.863 -3.892 -8.402 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.564 -4.101 -8.786 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.350 -3.554 -7.995 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.053 -4.776 -9.891 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.157 -4.226 -9.091 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.693 -4.829 -10.028 1.00 0.00 C ATOM 0 H TRP A 7 3.596 -2.866 -3.512 1.00 0.00 H new ATOM 0 HA TRP A 7 3.987 -0.986 -5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.715 -2.779 -4.911 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.416 -1.378 -5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.756 -2.874 -6.698 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.690 -4.217 -8.903 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.313 -3.090 -7.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.707 -5.241 -10.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.227 -4.288 -9.228 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.266 -5.346 -10.875 1.00 0.00 H new ATOM 127 N VAL A 8 2.747 0.952 -4.787 1.00 0.00 N ATOM 128 CA VAL A 8 2.362 2.171 -4.081 1.00 0.00 C ATOM 129 C VAL A 8 1.363 3.015 -4.864 1.00 0.00 C ATOM 130 O VAL A 8 1.399 3.065 -6.091 1.00 0.00 O ATOM 131 CB VAL A 8 3.598 3.066 -3.815 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.425 3.873 -2.538 1.00 0.00 C ATOM 133 CG2 VAL A 8 4.889 2.254 -3.768 1.00 0.00 C ATOM 0 H VAL A 8 2.890 1.071 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 8 1.904 1.836 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 8 3.677 3.760 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.308 4.492 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.546 4.511 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.298 3.195 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.731 2.920 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.825 1.515 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.034 1.746 -4.722 1.00 0.00 H new ATOM 143 N VAL A 9 0.500 3.716 -4.138 1.00 0.00 N ATOM 144 CA VAL A 9 -0.476 4.610 -4.758 1.00 0.00 C ATOM 145 C VAL A 9 -0.504 5.953 -4.021 1.00 0.00 C ATOM 146 O VAL A 9 -0.804 6.013 -2.830 1.00 0.00 O ATOM 147 CB VAL A 9 -1.904 4.008 -4.816 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.479 4.168 -6.215 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.898 2.541 -4.423 1.00 0.00 C ATOM 0 H VAL A 9 0.455 3.684 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.154 4.757 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.528 4.548 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.482 3.743 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.526 5.227 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.842 3.650 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.913 2.147 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.258 1.984 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.519 2.438 -3.406 1.00 0.00 H new ATOM 159 N ASP A 10 -0.168 7.024 -4.741 1.00 0.00 N ATOM 160 CA ASP A 10 -0.132 8.377 -4.180 1.00 0.00 C ATOM 161 C ASP A 10 0.133 9.397 -5.285 1.00 0.00 C ATOM 162 O ASP A 10 -0.219 9.173 -6.442 1.00 0.00 O ATOM 163 CB ASP A 10 0.928 8.481 -3.067 1.00 0.00 C ATOM 164 CG ASP A 10 0.580 9.544 -2.029 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.344 10.339 -2.289 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.239 9.590 -0.965 1.00 0.00 O ATOM 0 H ASP A 10 0.087 6.979 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.103 8.595 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.028 7.514 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.896 8.714 -3.511 1.00 0.00 H new ATOM 171 N ASP A 11 0.743 10.515 -4.932 1.00 0.00 N ATOM 172 CA ASP A 11 1.029 11.566 -5.903 1.00 0.00 C ATOM 173 C ASP A 11 2.053 11.113 -6.947 1.00 0.00 C ATOM 174 O ASP A 11 2.355 11.854 -7.883 1.00 0.00 O ATOM 175 CB ASP A 11 1.547 12.814 -5.184 1.00 0.00 C ATOM 176 CG ASP A 11 1.478 14.055 -6.052 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.439 14.304 -6.810 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.463 14.780 -5.974 1.00 0.00 O ATOM 0 H ASP A 11 1.051 10.722 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 11 0.099 11.796 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.963 12.976 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.579 12.649 -4.874 1.00 0.00 H new ATOM 183 N ASP A 12 2.567 9.892 -6.804 1.00 0.00 N ATOM 184 CA ASP A 12 3.531 9.357 -7.761 1.00 0.00 C ATOM 185 C ASP A 12 4.770 10.259 -7.857 1.00 0.00 C ATOM 186 O ASP A 12 5.262 10.749 -6.840 1.00 0.00 O ATOM 187 CB ASP A 12 2.851 9.195 -9.127 1.00 0.00 C ATOM 188 CG ASP A 12 3.330 7.964 -9.875 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.460 7.991 -10.405 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.569 6.974 -9.934 1.00 0.00 O ATOM 0 H ASP A 12 2.333 9.259 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 12 3.873 8.380 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.772 9.133 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.043 10.081 -9.732 1.00 0.00 H new ATOM 195 N SER A 13 5.260 10.489 -9.081 1.00 0.00 N ATOM 196 CA SER A 13 6.418 11.336 -9.323 1.00 0.00 C ATOM 197 C SER A 13 7.472 11.247 -8.211 1.00 0.00 C ATOM 198 O SER A 13 8.214 10.268 -8.135 1.00 0.00 O ATOM 199 CB SER A 13 5.934 12.763 -9.532 1.00 0.00 C ATOM 200 OG SER A 13 5.459 13.328 -8.321 1.00 0.00 O ATOM 0 H SER A 13 4.859 10.089 -9.929 1.00 0.00 H new ATOM 0 HA SER A 13 6.926 10.982 -10.220 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.748 13.372 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.139 12.774 -10.278 1.00 0.00 H new ATOM 0 HG SER A 13 5.787 14.248 -8.239 1.00 0.00 H new ATOM 206 N SER A 14 7.549 12.271 -7.366 1.00 0.00 N ATOM 207 CA SER A 14 8.527 12.295 -6.285 1.00 0.00 C ATOM 208 C SER A 14 8.431 11.045 -5.418 1.00 0.00 C ATOM 209 O SER A 14 9.446 10.464 -5.046 1.00 0.00 O ATOM 210 CB SER A 14 8.335 13.546 -5.426 1.00 0.00 C ATOM 211 OG SER A 14 9.569 13.987 -4.884 1.00 0.00 O ATOM 0 H SER A 14 6.947 13.093 -7.409 1.00 0.00 H new ATOM 0 HA SER A 14 9.520 12.317 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.894 14.340 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.635 13.332 -4.618 1.00 0.00 H new ATOM 0 HG SER A 14 9.420 14.789 -4.341 1.00 0.00 H new ATOM 217 N ILE A 15 7.208 10.631 -5.104 1.00 0.00 N ATOM 218 CA ILE A 15 7.000 9.445 -4.283 1.00 0.00 C ATOM 219 C ILE A 15 7.484 8.189 -4.995 1.00 0.00 C ATOM 220 O ILE A 15 8.007 7.266 -4.370 1.00 0.00 O ATOM 221 CB ILE A 15 5.515 9.262 -3.907 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.927 10.567 -3.359 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.363 8.133 -2.895 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.485 10.969 -2.011 1.00 0.00 C ATOM 0 H ILE A 15 6.351 11.096 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 15 7.580 9.595 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 15 4.961 8.997 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.116 11.368 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.845 10.461 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.310 8.014 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.738 7.205 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.931 8.371 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.021 11.901 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.273 10.187 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.563 11.108 -2.090 1.00 0.00 H new ATOM 236 N ARG A 16 7.293 8.162 -6.303 1.00 0.00 N ATOM 237 CA ARG A 16 7.691 7.019 -7.121 1.00 0.00 C ATOM 238 C ARG A 16 9.209 6.910 -7.244 1.00 0.00 C ATOM 239 O ARG A 16 9.791 5.874 -6.931 1.00 0.00 O ATOM 240 CB ARG A 16 7.067 7.127 -8.514 1.00 0.00 C ATOM 241 CG ARG A 16 7.376 5.941 -9.416 1.00 0.00 C ATOM 242 CD ARG A 16 7.207 6.297 -10.885 1.00 0.00 C ATOM 243 NE ARG A 16 6.870 5.129 -11.696 1.00 0.00 N ATOM 244 CZ ARG A 16 7.771 4.321 -12.253 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.070 4.556 -12.107 1.00 0.00 N ATOM 246 NH2 ARG A 16 7.372 3.277 -12.963 1.00 0.00 N ATOM 0 H ARG A 16 6.862 8.923 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 16 7.329 6.119 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.986 7.223 -8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.424 8.039 -8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.397 5.604 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.717 5.110 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.424 7.048 -10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.129 6.744 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 16 5.883 4.919 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.385 5.361 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.753 3.932 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.376 3.092 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.061 2.657 -13.390 1.00 0.00 H new ATOM 260 N TRP A 17 9.843 7.976 -7.724 1.00 0.00 N ATOM 261 CA TRP A 17 11.293 7.991 -7.916 1.00 0.00 C ATOM 262 C TRP A 17 12.058 7.496 -6.690 1.00 0.00 C ATOM 263 O TRP A 17 13.019 6.734 -6.817 1.00 0.00 O ATOM 264 CB TRP A 17 11.773 9.396 -8.271 1.00 0.00 C ATOM 265 CG TRP A 17 13.220 9.436 -8.660 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.749 9.103 -9.874 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.323 9.820 -7.831 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.114 9.261 -9.852 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.491 9.701 -8.610 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.438 10.256 -6.507 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.754 10.002 -8.108 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.694 10.554 -6.011 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.837 10.426 -6.810 1.00 0.00 C ATOM 0 H TRP A 17 9.376 8.843 -7.988 1.00 0.00 H new ATOM 0 HA TRP A 17 11.499 7.305 -8.737 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.170 9.784 -9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.613 10.056 -7.418 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.178 8.765 -10.726 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.744 9.080 -10.633 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.562 10.358 -5.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.637 9.904 -8.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.795 10.891 -4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.804 10.667 -6.393 1.00 0.00 H new ATOM 284 N VAL A 18 11.651 7.942 -5.511 1.00 0.00 N ATOM 285 CA VAL A 18 12.338 7.545 -4.289 1.00 0.00 C ATOM 286 C VAL A 18 12.159 6.064 -3.995 1.00 0.00 C ATOM 287 O VAL A 18 13.131 5.318 -3.889 1.00 0.00 O ATOM 288 CB VAL A 18 11.883 8.354 -3.049 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.999 8.403 -2.018 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.455 9.766 -3.417 1.00 0.00 C ATOM 0 H VAL A 18 10.860 8.571 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 18 13.391 7.759 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 18 11.017 7.845 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.668 8.974 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.254 7.389 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.876 8.881 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.144 10.298 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.291 10.291 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.623 9.722 -4.119 1.00 0.00 H new ATOM 300 N LEU A 19 10.914 5.655 -3.833 1.00 0.00 N ATOM 301 CA LEU A 19 10.598 4.266 -3.511 1.00 0.00 C ATOM 302 C LEU A 19 10.840 3.312 -4.676 1.00 0.00 C ATOM 303 O LEU A 19 11.021 2.116 -4.467 1.00 0.00 O ATOM 304 CB LEU A 19 9.153 4.143 -3.020 1.00 0.00 C ATOM 305 CG LEU A 19 8.936 3.101 -1.919 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.733 3.457 -0.677 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.462 2.983 -1.585 1.00 0.00 C ATOM 0 H LEU A 19 10.100 6.263 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 19 11.281 3.972 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.825 5.115 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.516 3.893 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 19 9.288 2.137 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.564 2.703 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.794 3.492 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.414 4.431 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.325 2.238 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.089 3.947 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.911 2.679 -2.475 1.00 0.00 H new ATOM 319 N GLU A 20 10.843 3.819 -5.899 1.00 0.00 N ATOM 320 CA GLU A 20 11.062 2.955 -7.054 1.00 0.00 C ATOM 321 C GLU A 20 12.479 2.385 -7.064 1.00 0.00 C ATOM 322 O GLU A 20 12.671 1.168 -7.039 1.00 0.00 O ATOM 323 CB GLU A 20 10.757 3.684 -8.375 1.00 0.00 C ATOM 324 CG GLU A 20 11.767 4.741 -8.782 1.00 0.00 C ATOM 325 CD GLU A 20 11.445 5.374 -10.123 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.321 5.894 -10.281 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.322 5.355 -11.012 1.00 0.00 O ATOM 0 H GLU A 20 10.699 4.805 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 20 10.365 2.122 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.690 2.944 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.777 4.154 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.802 5.517 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.759 4.292 -8.826 1.00 0.00 H new ATOM 334 N ARG A 21 13.465 3.267 -7.112 1.00 0.00 N ATOM 335 CA ARG A 21 14.862 2.846 -7.147 1.00 0.00 C ATOM 336 C ARG A 21 15.351 2.354 -5.787 1.00 0.00 C ATOM 337 O ARG A 21 15.933 1.274 -5.686 1.00 0.00 O ATOM 338 CB ARG A 21 15.752 3.991 -7.643 1.00 0.00 C ATOM 339 CG ARG A 21 15.349 4.528 -9.008 1.00 0.00 C ATOM 340 CD ARG A 21 16.436 4.308 -10.049 1.00 0.00 C ATOM 341 NE ARG A 21 15.940 4.539 -11.404 1.00 0.00 N ATOM 342 CZ ARG A 21 16.295 3.812 -12.464 1.00 0.00 C ATOM 343 NH1 ARG A 21 17.171 2.822 -12.342 1.00 0.00 N ATOM 344 NH2 ARG A 21 15.773 4.083 -13.651 1.00 0.00 N ATOM 0 H ARG A 21 13.327 4.278 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 21 14.928 2.008 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.721 4.804 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.784 3.644 -7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.431 4.039 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.132 5.593 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.273 4.977 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.816 3.290 -9.969 1.00 0.00 H new ATOM 0 HE ARG A 21 15.281 5.304 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.579 2.611 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.436 2.272 -13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.103 4.845 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.042 3.530 -14.465 1.00 0.00 H new ATOM 358 N ALA A 22 15.132 3.152 -4.749 1.00 0.00 N ATOM 359 CA ALA A 22 15.573 2.791 -3.405 1.00 0.00 C ATOM 360 C ALA A 22 15.123 1.395 -3.012 1.00 0.00 C ATOM 361 O ALA A 22 15.946 0.532 -2.707 1.00 0.00 O ATOM 362 CB ALA A 22 15.086 3.812 -2.392 1.00 0.00 C ATOM 0 H ALA A 22 14.653 4.051 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 22 16.663 2.791 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.424 3.526 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.487 4.794 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.997 3.850 -2.408 1.00 0.00 H new ATOM 368 N LEU A 23 13.819 1.175 -3.024 1.00 0.00 N ATOM 369 CA LEU A 23 13.276 -0.131 -2.669 1.00 0.00 C ATOM 370 C LEU A 23 13.823 -1.193 -3.614 1.00 0.00 C ATOM 371 O LEU A 23 13.985 -2.354 -3.235 1.00 0.00 O ATOM 372 CB LEU A 23 11.742 -0.126 -2.685 1.00 0.00 C ATOM 373 CG LEU A 23 11.070 -0.319 -1.318 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.554 -0.344 -1.462 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.556 -1.597 -0.651 1.00 0.00 C ATOM 0 H LEU A 23 13.120 1.875 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 23 13.588 -0.366 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.403 0.820 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.400 -0.915 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 23 11.345 0.526 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.098 -0.482 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.214 0.598 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.264 -1.166 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.066 -1.712 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.316 -2.452 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.635 -1.544 -0.507 1.00 0.00 H new ATOM 387 N ALA A 24 14.138 -0.782 -4.841 1.00 0.00 N ATOM 388 CA ALA A 24 14.702 -1.702 -5.815 1.00 0.00 C ATOM 389 C ALA A 24 16.029 -2.240 -5.296 1.00 0.00 C ATOM 390 O ALA A 24 16.350 -3.414 -5.476 1.00 0.00 O ATOM 391 CB ALA A 24 14.889 -1.017 -7.162 1.00 0.00 C ATOM 0 H ALA A 24 14.012 0.173 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 24 14.012 -2.533 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.312 -1.725 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.924 -0.666 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.564 -0.169 -7.048 1.00 0.00 H new ATOM 397 N GLY A 25 16.785 -1.372 -4.627 1.00 0.00 N ATOM 398 CA GLY A 25 18.057 -1.780 -4.067 1.00 0.00 C ATOM 399 C GLY A 25 17.882 -2.826 -2.983 1.00 0.00 C ATOM 400 O GLY A 25 18.790 -3.612 -2.715 1.00 0.00 O ATOM 0 H GLY A 25 16.537 -0.396 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.692 -2.178 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.569 -0.911 -3.655 1.00 0.00 H new ATOM 404 N ALA A 26 16.705 -2.833 -2.363 1.00 0.00 N ATOM 405 CA ALA A 26 16.401 -3.791 -1.312 1.00 0.00 C ATOM 406 C ALA A 26 16.089 -5.165 -1.898 1.00 0.00 C ATOM 407 O ALA A 26 16.097 -6.169 -1.185 1.00 0.00 O ATOM 408 CB ALA A 26 15.245 -3.292 -0.461 1.00 0.00 C ATOM 0 H ALA A 26 15.947 -2.184 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 26 17.280 -3.892 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.029 -4.019 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.513 -2.339 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.363 -3.160 -1.087 1.00 0.00 H new ATOM 414 N GLY A 27 15.826 -5.206 -3.204 1.00 0.00 N ATOM 415 CA GLY A 27 15.537 -6.466 -3.862 1.00 0.00 C ATOM 416 C GLY A 27 14.065 -6.663 -4.172 1.00 0.00 C ATOM 417 O GLY A 27 13.607 -7.797 -4.309 1.00 0.00 O ATOM 0 H GLY A 27 15.809 -4.389 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.106 -6.521 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.880 -7.284 -3.229 1.00 0.00 H new ATOM 421 N LEU A 28 13.319 -5.568 -4.286 1.00 0.00 N ATOM 422 CA LEU A 28 11.899 -5.655 -4.583 1.00 0.00 C ATOM 423 C LEU A 28 11.524 -4.771 -5.766 1.00 0.00 C ATOM 424 O LEU A 28 12.319 -3.949 -6.223 1.00 0.00 O ATOM 425 CB LEU A 28 11.066 -5.261 -3.363 1.00 0.00 C ATOM 426 CG LEU A 28 11.768 -5.424 -2.016 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.505 -4.153 -1.642 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.769 -5.808 -0.936 1.00 0.00 C ATOM 0 H LEU A 28 13.674 -4.618 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 28 11.684 -6.691 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.761 -4.220 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.156 -5.861 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 28 12.499 -6.227 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.999 -4.288 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.251 -3.927 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.796 -3.328 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.288 -5.920 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.011 -5.029 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.291 -6.751 -1.201 1.00 0.00 H new ATOM 440 N THR A 29 10.298 -4.942 -6.246 1.00 0.00 N ATOM 441 CA THR A 29 9.795 -4.162 -7.370 1.00 0.00 C ATOM 442 C THR A 29 8.821 -3.095 -6.874 1.00 0.00 C ATOM 443 O THR A 29 7.691 -3.403 -6.499 1.00 0.00 O ATOM 444 CB THR A 29 9.106 -5.080 -8.382 1.00 0.00 C ATOM 445 OG1 THR A 29 10.045 -5.950 -8.990 1.00 0.00 O ATOM 446 CG2 THR A 29 8.392 -4.332 -9.486 1.00 0.00 C ATOM 0 H THR A 29 9.631 -5.617 -5.872 1.00 0.00 H new ATOM 0 HA THR A 29 10.634 -3.669 -7.861 1.00 0.00 H new ATOM 0 HB THR A 29 8.365 -5.635 -7.807 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.585 -6.530 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.927 -5.045 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.625 -3.690 -9.053 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.109 -3.722 -10.035 1.00 0.00 H new ATOM 454 N CYS A 30 9.270 -1.844 -6.862 1.00 0.00 N ATOM 455 CA CYS A 30 8.437 -0.741 -6.393 1.00 0.00 C ATOM 456 C CYS A 30 7.846 0.057 -7.546 1.00 0.00 C ATOM 457 O CYS A 30 8.558 0.746 -8.275 1.00 0.00 O ATOM 458 CB CYS A 30 9.242 0.179 -5.481 1.00 0.00 C ATOM 459 SG CYS A 30 8.232 1.370 -4.572 1.00 0.00 S ATOM 0 H CYS A 30 10.202 -1.569 -7.170 1.00 0.00 H new ATOM 0 HA CYS A 30 7.609 -1.175 -5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.800 -0.429 -4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.974 0.720 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 30 7.935 2.370 -5.349 1.00 0.00 H new ATOM 465 N THR A 31 6.527 -0.027 -7.685 1.00 0.00 N ATOM 466 CA THR A 31 5.817 0.701 -8.725 1.00 0.00 C ATOM 467 C THR A 31 4.770 1.602 -8.080 1.00 0.00 C ATOM 468 O THR A 31 4.294 1.317 -6.981 1.00 0.00 O ATOM 469 CB THR A 31 5.161 -0.267 -9.720 1.00 0.00 C ATOM 470 OG1 THR A 31 4.890 0.391 -10.947 1.00 0.00 O ATOM 471 CG2 THR A 31 3.857 -0.856 -9.230 1.00 0.00 C ATOM 0 H THR A 31 5.928 -0.595 -7.086 1.00 0.00 H new ATOM 0 HA THR A 31 6.527 1.313 -9.281 1.00 0.00 H new ATOM 0 HB THR A 31 5.880 -1.077 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.474 -0.239 -11.571 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.455 -1.529 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.032 -1.410 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.143 -0.054 -9.042 1.00 0.00 H new ATOM 479 N THR A 32 4.424 2.696 -8.744 1.00 0.00 N ATOM 480 CA THR A 32 3.447 3.623 -8.194 1.00 0.00 C ATOM 481 C THR A 32 2.309 3.909 -9.169 1.00 0.00 C ATOM 482 O THR A 32 2.475 3.828 -10.387 1.00 0.00 O ATOM 483 CB THR A 32 4.137 4.921 -7.792 1.00 0.00 C ATOM 484 OG1 THR A 32 4.598 5.624 -8.935 1.00 0.00 O ATOM 485 CG2 THR A 32 5.320 4.694 -6.874 1.00 0.00 C ATOM 0 H THR A 32 4.801 2.961 -9.654 1.00 0.00 H new ATOM 0 HA THR A 32 3.005 3.154 -7.315 1.00 0.00 H new ATOM 0 HB THR A 32 3.385 5.503 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.669 5.006 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.773 5.652 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.984 4.199 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.056 4.067 -7.377 1.00 0.00 H new ATOM 493 N PHE A 33 1.151 4.241 -8.607 1.00 0.00 N ATOM 494 CA PHE A 33 -0.042 4.545 -9.389 1.00 0.00 C ATOM 495 C PHE A 33 -0.650 5.871 -8.944 1.00 0.00 C ATOM 496 O PHE A 33 -0.181 6.493 -7.990 1.00 0.00 O ATOM 497 CB PHE A 33 -1.080 3.431 -9.284 1.00 0.00 C ATOM 498 CG PHE A 33 -0.537 2.059 -9.565 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.457 1.516 -8.767 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.032 1.305 -10.616 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.946 0.249 -9.010 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.545 0.037 -10.868 1.00 0.00 C ATOM 503 CZ PHE A 33 0.444 -0.493 -10.064 1.00 0.00 C ATOM 0 H PHE A 33 1.013 4.307 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 33 0.262 4.625 -10.433 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.509 3.442 -8.282 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.892 3.639 -9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.854 2.092 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.808 1.713 -11.246 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.719 -0.163 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.938 -0.539 -11.693 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.825 -1.485 -10.257 1.00 0.00 H new ATOM 513 N GLU A 34 -1.671 6.314 -9.666 1.00 0.00 N ATOM 514 CA GLU A 34 -2.325 7.583 -9.388 1.00 0.00 C ATOM 515 C GLU A 34 -2.908 7.654 -7.962 1.00 0.00 C ATOM 516 O GLU A 34 -2.166 7.852 -7.002 1.00 0.00 O ATOM 517 CB GLU A 34 -3.419 7.808 -10.438 1.00 0.00 C ATOM 518 CG GLU A 34 -4.301 6.587 -10.674 1.00 0.00 C ATOM 519 CD GLU A 34 -5.785 6.890 -10.588 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.195 7.989 -11.019 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.535 6.026 -10.082 1.00 0.00 O ATOM 0 H GLU A 34 -2.067 5.806 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.578 8.374 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.046 8.643 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.953 8.096 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.079 6.172 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.051 5.820 -9.941 1.00 0.00 H new ATOM 528 N ASN A 35 -4.227 7.534 -7.825 1.00 0.00 N ATOM 529 CA ASN A 35 -4.876 7.634 -6.525 1.00 0.00 C ATOM 530 C ASN A 35 -4.890 6.312 -5.772 1.00 0.00 C ATOM 531 O ASN A 35 -4.195 6.149 -4.771 1.00 0.00 O ATOM 532 CB ASN A 35 -6.304 8.159 -6.696 1.00 0.00 C ATOM 533 CG ASN A 35 -6.379 9.285 -7.711 1.00 0.00 C ATOM 534 OD1 ASN A 35 -7.215 9.111 -8.728 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -5.691 10.297 -7.583 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.866 7.367 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.292 8.333 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.955 7.343 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.678 8.512 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.062 10.388 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.750 11.045 -8.274 1.00 0.00 H new ATOM 542 N GLY A 36 -5.690 5.381 -6.253 1.00 0.00 N ATOM 543 CA GLY A 36 -5.790 4.085 -5.605 1.00 0.00 C ATOM 544 C GLY A 36 -6.505 3.049 -6.449 1.00 0.00 C ATOM 545 O GLY A 36 -6.206 1.859 -6.362 1.00 0.00 O ATOM 0 H GLY A 36 -6.275 5.494 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.788 3.725 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.317 4.199 -4.658 1.00 0.00 H new ATOM 549 N ASN A 37 -7.452 3.497 -7.266 1.00 0.00 N ATOM 550 CA ASN A 37 -8.204 2.588 -8.121 1.00 0.00 C ATOM 551 C ASN A 37 -7.297 1.981 -9.182 1.00 0.00 C ATOM 552 O ASN A 37 -7.498 0.844 -9.609 1.00 0.00 O ATOM 553 CB ASN A 37 -9.379 3.317 -8.777 1.00 0.00 C ATOM 554 CG ASN A 37 -10.533 3.525 -7.813 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.050 2.430 -7.264 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.954 4.655 -7.565 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.716 4.478 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.599 1.782 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.042 4.283 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.725 2.745 -9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.527 5.467 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.730 4.779 -6.915 1.00 0.00 H new ATOM 563 N GLU A 38 -6.290 2.746 -9.600 1.00 0.00 N ATOM 564 CA GLU A 38 -5.343 2.285 -10.608 1.00 0.00 C ATOM 565 C GLU A 38 -4.735 0.938 -10.227 1.00 0.00 C ATOM 566 O GLU A 38 -4.838 -0.027 -10.982 1.00 0.00 O ATOM 567 CB GLU A 38 -4.228 3.310 -10.797 1.00 0.00 C ATOM 568 CG GLU A 38 -4.103 3.824 -12.223 1.00 0.00 C ATOM 569 CD GLU A 38 -3.830 2.720 -13.226 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.739 2.115 -13.162 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.705 2.465 -14.080 1.00 0.00 O ATOM 0 H GLU A 38 -6.111 3.689 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.891 2.165 -11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.406 4.154 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.281 2.862 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.022 4.340 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.299 4.558 -12.270 1.00 0.00 H new ATOM 578 N VAL A 39 -4.094 0.871 -9.057 1.00 0.00 N ATOM 579 CA VAL A 39 -3.473 -0.378 -8.619 1.00 0.00 C ATOM 580 C VAL A 39 -4.449 -1.540 -8.706 1.00 0.00 C ATOM 581 O VAL A 39 -4.091 -2.636 -9.136 1.00 0.00 O ATOM 582 CB VAL A 39 -2.957 -0.303 -7.173 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.095 -1.512 -6.853 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.174 0.965 -6.945 1.00 0.00 C ATOM 0 H VAL A 39 -3.993 1.652 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.630 -0.538 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.820 -0.299 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.738 -1.443 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.685 -2.421 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.243 -1.541 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.820 0.994 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.321 0.993 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.814 1.827 -7.133 1.00 0.00 H new ATOM 594 N LEU A 40 -5.683 -1.295 -8.282 1.00 0.00 N ATOM 595 CA LEU A 40 -6.714 -2.326 -8.299 1.00 0.00 C ATOM 596 C LEU A 40 -6.814 -2.974 -9.674 1.00 0.00 C ATOM 597 O LEU A 40 -6.903 -4.196 -9.792 1.00 0.00 O ATOM 598 CB LEU A 40 -8.072 -1.742 -7.906 1.00 0.00 C ATOM 599 CG LEU A 40 -8.073 -0.853 -6.662 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.460 -0.280 -6.436 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.613 -1.638 -5.441 1.00 0.00 C ATOM 0 H LEU A 40 -5.994 -0.393 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.431 -3.087 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.455 -1.162 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.768 -2.565 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.375 -0.031 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.452 0.352 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.754 0.314 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.171 -1.094 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.621 -0.988 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.286 -2.479 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.602 -2.010 -5.607 1.00 0.00 H new ATOM 613 N ALA A 41 -6.798 -2.144 -10.710 1.00 0.00 N ATOM 614 CA ALA A 41 -6.886 -2.633 -12.078 1.00 0.00 C ATOM 615 C ALA A 41 -5.690 -3.506 -12.420 1.00 0.00 C ATOM 616 O ALA A 41 -5.838 -4.621 -12.920 1.00 0.00 O ATOM 617 CB ALA A 41 -6.993 -1.469 -13.050 1.00 0.00 C ATOM 0 H ALA A 41 -6.725 -1.130 -10.628 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.785 -3.243 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.058 -1.851 -14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.886 -0.886 -12.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.112 -0.834 -12.956 1.00 0.00 H new ATOM 623 N ALA A 42 -4.509 -2.985 -12.142 1.00 0.00 N ATOM 624 CA ALA A 42 -3.268 -3.702 -12.409 1.00 0.00 C ATOM 625 C ALA A 42 -3.174 -4.963 -11.558 1.00 0.00 C ATOM 626 O ALA A 42 -2.547 -5.945 -11.952 1.00 0.00 O ATOM 627 CB ALA A 42 -2.068 -2.799 -12.155 1.00 0.00 C ATOM 0 H ALA A 42 -4.379 -2.062 -11.728 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.266 -3.999 -13.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.149 -3.349 -12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.123 -1.929 -12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.072 -2.472 -11.115 1.00 0.00 H new ATOM 633 N LEU A 43 -3.796 -4.925 -10.384 1.00 0.00 N ATOM 634 CA LEU A 43 -3.777 -6.062 -9.473 1.00 0.00 C ATOM 635 C LEU A 43 -4.556 -7.240 -10.038 1.00 0.00 C ATOM 636 O LEU A 43 -4.309 -8.390 -9.679 1.00 0.00 O ATOM 637 CB LEU A 43 -4.350 -5.665 -8.118 1.00 0.00 C ATOM 638 CG LEU A 43 -3.387 -4.907 -7.215 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.120 -3.833 -6.431 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.688 -5.875 -6.280 1.00 0.00 C ATOM 0 H LEU A 43 -4.319 -4.119 -10.042 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.738 -6.369 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.235 -5.050 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.679 -6.566 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.637 -4.415 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.414 -3.303 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.582 -3.129 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.891 -4.295 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.000 -5.327 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.429 -6.387 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.132 -6.608 -6.864 1.00 0.00 H new ATOM 652 N ALA A 44 -5.496 -6.946 -10.927 1.00 0.00 N ATOM 653 CA ALA A 44 -6.311 -7.982 -11.545 1.00 0.00 C ATOM 654 C ALA A 44 -5.443 -9.052 -12.206 1.00 0.00 C ATOM 655 O ALA A 44 -5.919 -10.146 -12.509 1.00 0.00 O ATOM 656 CB ALA A 44 -7.261 -7.368 -12.564 1.00 0.00 C ATOM 0 H ALA A 44 -5.712 -5.998 -11.236 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.895 -8.463 -10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.864 -8.154 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.914 -6.651 -12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.686 -6.859 -13.337 1.00 0.00 H new ATOM 662 N SER A 45 -4.170 -8.730 -12.438 1.00 0.00 N ATOM 663 CA SER A 45 -3.252 -9.662 -13.070 1.00 0.00 C ATOM 664 C SER A 45 -1.986 -9.886 -12.236 1.00 0.00 C ATOM 665 O SER A 45 -1.142 -10.702 -12.604 1.00 0.00 O ATOM 666 CB SER A 45 -2.876 -9.160 -14.465 1.00 0.00 C ATOM 667 OG SER A 45 -3.464 -9.966 -15.472 1.00 0.00 O ATOM 0 H SER A 45 -3.757 -7.830 -12.196 1.00 0.00 H new ATOM 0 HA SER A 45 -3.764 -10.621 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.203 -8.127 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.792 -9.166 -14.577 1.00 0.00 H new ATOM 0 HG SER A 45 -3.210 -9.624 -16.355 1.00 0.00 H new ATOM 673 N LYS A 46 -1.847 -9.167 -11.122 1.00 0.00 N ATOM 674 CA LYS A 46 -0.671 -9.317 -10.275 1.00 0.00 C ATOM 675 C LYS A 46 -0.969 -8.918 -8.836 1.00 0.00 C ATOM 676 O LYS A 46 -1.898 -8.158 -8.569 1.00 0.00 O ATOM 677 CB LYS A 46 0.484 -8.472 -10.811 1.00 0.00 C ATOM 678 CG LYS A 46 1.828 -9.182 -10.775 1.00 0.00 C ATOM 679 CD LYS A 46 2.921 -8.272 -10.234 1.00 0.00 C ATOM 680 CE LYS A 46 4.209 -8.408 -11.029 1.00 0.00 C ATOM 681 NZ LYS A 46 4.788 -7.081 -11.376 1.00 0.00 N ATOM 0 H LYS A 46 -2.527 -8.483 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.388 -10.369 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.264 -8.181 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.552 -7.554 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.754 -10.074 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.093 -9.515 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.581 -7.237 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.111 -8.514 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.934 -8.981 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.014 -8.970 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.665 -7.216 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.106 -6.544 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.997 -6.555 -10.504 1.00 0.00 H new ATOM 695 N THR A 47 -0.168 -9.431 -7.909 1.00 0.00 N ATOM 696 CA THR A 47 -0.346 -9.116 -6.502 1.00 0.00 C ATOM 697 C THR A 47 0.994 -8.896 -5.795 1.00 0.00 C ATOM 698 O THR A 47 1.757 -9.841 -5.594 1.00 0.00 O ATOM 699 CB THR A 47 -1.118 -10.245 -5.814 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.411 -10.380 -6.376 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.286 -10.046 -4.321 1.00 0.00 C ATOM 0 H THR A 47 0.607 -10.064 -8.108 1.00 0.00 H new ATOM 0 HA THR A 47 -0.912 -8.187 -6.436 1.00 0.00 H new ATOM 0 HB THR A 47 -0.517 -11.140 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.889 -11.107 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.842 -10.885 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.305 -9.989 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.832 -9.121 -4.136 1.00 0.00 H new ATOM 709 N PRO A 48 1.295 -7.647 -5.388 1.00 0.00 N ATOM 710 CA PRO A 48 2.539 -7.329 -4.682 1.00 0.00 C ATOM 711 C PRO A 48 2.540 -7.868 -3.253 1.00 0.00 C ATOM 712 O PRO A 48 1.483 -8.101 -2.668 1.00 0.00 O ATOM 713 CB PRO A 48 2.564 -5.800 -4.681 1.00 0.00 C ATOM 714 CG PRO A 48 1.131 -5.401 -4.752 1.00 0.00 C ATOM 715 CD PRO A 48 0.453 -6.450 -5.585 1.00 0.00 C ATOM 0 HA PRO A 48 3.410 -7.779 -5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.039 -5.412 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.126 -5.412 -5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.691 -5.348 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.022 -4.414 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.572 -6.622 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.407 -6.160 -6.635 1.00 0.00 H new ATOM 723 N ASP A 49 3.733 -8.068 -2.694 1.00 0.00 N ATOM 724 CA ASP A 49 3.863 -8.586 -1.334 1.00 0.00 C ATOM 725 C ASP A 49 3.539 -7.511 -0.297 1.00 0.00 C ATOM 726 O ASP A 49 3.161 -7.821 0.832 1.00 0.00 O ATOM 727 CB ASP A 49 5.276 -9.127 -1.101 1.00 0.00 C ATOM 728 CG ASP A 49 5.576 -10.341 -1.959 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.994 -11.414 -1.695 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.395 -10.218 -2.895 1.00 0.00 O ATOM 0 H ASP A 49 4.620 -7.880 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 49 3.146 -9.398 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.003 -8.344 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.393 -9.390 -0.050 1.00 0.00 H new ATOM 735 N VAL A 50 3.690 -6.250 -0.685 1.00 0.00 N ATOM 736 CA VAL A 50 3.412 -5.137 0.212 1.00 0.00 C ATOM 737 C VAL A 50 2.827 -3.962 -0.563 1.00 0.00 C ATOM 738 O VAL A 50 3.561 -3.161 -1.143 1.00 0.00 O ATOM 739 CB VAL A 50 4.685 -4.682 0.948 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.774 -4.334 -0.052 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.390 -3.503 1.866 1.00 0.00 C ATOM 0 H VAL A 50 4.004 -5.974 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 50 2.688 -5.482 0.950 1.00 0.00 H new ATOM 0 HB VAL A 50 5.038 -5.505 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.669 -4.014 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.006 -5.211 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.429 -3.528 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.305 -3.200 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.010 -2.669 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.644 -3.795 2.605 1.00 0.00 H new ATOM 751 N LEU A 51 1.503 -3.877 -0.581 1.00 0.00 N ATOM 752 CA LEU A 51 0.816 -2.814 -1.300 1.00 0.00 C ATOM 753 C LEU A 51 0.652 -1.561 -0.443 1.00 0.00 C ATOM 754 O LEU A 51 0.319 -1.635 0.739 1.00 0.00 O ATOM 755 CB LEU A 51 -0.554 -3.304 -1.777 1.00 0.00 C ATOM 756 CG LEU A 51 -1.369 -2.296 -2.593 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.539 -1.746 -3.744 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.649 -2.948 -3.110 1.00 0.00 C ATOM 0 H LEU A 51 0.883 -4.533 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 51 1.430 -2.548 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.410 -4.201 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.139 -3.597 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.644 -1.463 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.134 -1.032 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.346 -1.248 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.234 -2.564 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.220 -2.221 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.394 -3.797 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.248 -3.292 -2.267 1.00 0.00 H new ATOM 770 N LEU A 52 0.875 -0.410 -1.067 1.00 0.00 N ATOM 771 CA LEU A 52 0.743 0.882 -0.404 1.00 0.00 C ATOM 772 C LEU A 52 -0.267 1.735 -1.170 1.00 0.00 C ATOM 773 O LEU A 52 -0.182 1.831 -2.393 1.00 0.00 O ATOM 774 CB LEU A 52 2.095 1.597 -0.373 1.00 0.00 C ATOM 775 CG LEU A 52 3.086 1.116 0.681 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.507 1.173 0.137 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.966 1.964 1.935 1.00 0.00 C ATOM 0 H LEU A 52 1.152 -0.346 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 52 0.400 0.729 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.560 1.493 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.917 2.661 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 52 2.854 0.081 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.203 0.827 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.586 0.534 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.751 2.199 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.678 1.612 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.179 3.005 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.954 1.884 2.333 1.00 0.00 H new ATOM 789 N SER A 53 -1.231 2.336 -0.471 1.00 0.00 N ATOM 790 CA SER A 53 -2.245 3.149 -1.146 1.00 0.00 C ATOM 791 C SER A 53 -2.443 4.512 -0.494 1.00 0.00 C ATOM 792 O SER A 53 -2.307 4.665 0.717 1.00 0.00 O ATOM 793 CB SER A 53 -3.575 2.391 -1.195 1.00 0.00 C ATOM 794 OG SER A 53 -3.749 1.745 -2.444 1.00 0.00 O ATOM 0 H SER A 53 -1.332 2.278 0.542 1.00 0.00 H new ATOM 0 HA SER A 53 -1.884 3.333 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.606 1.653 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.399 3.084 -1.023 1.00 0.00 H new ATOM 0 HG SER A 53 -4.605 1.267 -2.449 1.00 0.00 H new ATOM 800 N ASP A 54 -2.779 5.503 -1.317 1.00 0.00 N ATOM 801 CA ASP A 54 -3.011 6.857 -0.829 1.00 0.00 C ATOM 802 C ASP A 54 -4.368 6.948 -0.150 1.00 0.00 C ATOM 803 O ASP A 54 -4.966 5.930 0.198 1.00 0.00 O ATOM 804 CB ASP A 54 -2.936 7.870 -1.974 1.00 0.00 C ATOM 805 CG ASP A 54 -2.609 9.271 -1.487 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.212 9.415 -0.306 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.754 10.224 -2.281 1.00 0.00 O ATOM 0 H ASP A 54 -2.896 5.392 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.231 7.093 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.178 7.551 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.888 7.886 -2.505 1.00 0.00 H new ATOM 812 N ILE A 55 -4.845 8.169 0.055 1.00 0.00 N ATOM 813 CA ILE A 55 -6.114 8.374 0.704 1.00 0.00 C ATOM 814 C ILE A 55 -6.566 9.828 0.630 1.00 0.00 C ATOM 815 O ILE A 55 -6.468 10.570 1.606 1.00 0.00 O ATOM 816 CB ILE A 55 -6.008 7.920 2.167 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.275 8.264 2.954 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.779 8.532 2.816 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.802 7.112 3.784 1.00 0.00 C ATOM 0 H ILE A 55 -4.366 9.026 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.866 7.781 0.183 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.905 6.835 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.067 9.109 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.050 8.584 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.714 8.203 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.886 8.214 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.854 9.619 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.701 7.427 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.042 6.273 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.044 6.806 4.505 1.00 0.00 H new ATOM 831 N ARG A 56 -7.070 10.228 -0.539 1.00 0.00 N ATOM 832 CA ARG A 56 -7.543 11.594 -0.735 1.00 0.00 C ATOM 833 C ARG A 56 -8.061 11.819 -2.157 1.00 0.00 C ATOM 834 O ARG A 56 -7.596 12.721 -2.855 1.00 0.00 O ATOM 835 CB ARG A 56 -6.417 12.589 -0.430 1.00 0.00 C ATOM 836 CG ARG A 56 -5.200 12.427 -1.326 1.00 0.00 C ATOM 837 CD ARG A 56 -4.407 13.719 -1.425 1.00 0.00 C ATOM 838 NE ARG A 56 -4.991 14.638 -2.398 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.043 14.394 -3.704 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.522 13.277 -4.199 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.612 15.270 -4.520 1.00 0.00 N ATOM 0 H ARG A 56 -7.160 9.627 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.373 11.756 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.802 13.603 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.111 12.470 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.561 11.636 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.518 12.117 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.370 14.199 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.379 13.494 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.381 15.516 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.079 12.601 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.565 13.095 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.010 16.131 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.652 15.083 -5.522 1.00 0.00 H new ATOM 855 N MET A 57 -9.033 11.014 -2.589 1.00 0.00 N ATOM 856 CA MET A 57 -9.593 11.173 -3.929 1.00 0.00 C ATOM 857 C MET A 57 -11.000 10.571 -4.050 1.00 0.00 C ATOM 858 O MET A 57 -11.967 11.306 -4.256 1.00 0.00 O ATOM 859 CB MET A 57 -8.654 10.581 -4.986 1.00 0.00 C ATOM 860 CG MET A 57 -9.039 10.957 -6.407 1.00 0.00 C ATOM 861 SD MET A 57 -8.650 12.674 -6.794 1.00 0.00 S ATOM 862 CE MET A 57 -9.108 12.740 -8.523 1.00 0.00 C ATOM 0 H MET A 57 -9.442 10.258 -2.040 1.00 0.00 H new ATOM 0 HA MET A 57 -9.689 12.244 -4.109 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.637 10.921 -4.790 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.651 9.495 -4.893 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.518 10.303 -7.107 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.107 10.789 -6.548 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.925 13.743 -8.910 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.513 12.020 -9.085 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.165 12.497 -8.629 1.00 0.00 H new ATOM 872 N PRO A 58 -11.151 9.235 -3.938 1.00 0.00 N ATOM 873 CA PRO A 58 -12.463 8.581 -4.050 1.00 0.00 C ATOM 874 C PRO A 58 -13.472 9.096 -3.027 1.00 0.00 C ATOM 875 O PRO A 58 -13.253 10.123 -2.384 1.00 0.00 O ATOM 876 CB PRO A 58 -12.158 7.098 -3.797 1.00 0.00 C ATOM 877 CG PRO A 58 -10.827 7.088 -3.130 1.00 0.00 C ATOM 878 CD PRO A 58 -10.080 8.255 -3.702 1.00 0.00 C ATOM 0 HA PRO A 58 -12.921 8.777 -5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.920 6.640 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.137 6.535 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.930 7.180 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.300 6.153 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.328 8.634 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.561 7.992 -4.623 1.00 0.00 H new ATOM 886 N GLY A 59 -14.580 8.372 -2.887 1.00 0.00 N ATOM 887 CA GLY A 59 -15.616 8.762 -1.946 1.00 0.00 C ATOM 888 C GLY A 59 -15.138 8.729 -0.507 1.00 0.00 C ATOM 889 O GLY A 59 -15.192 9.741 0.194 1.00 0.00 O ATOM 0 H GLY A 59 -14.779 7.519 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.961 9.767 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.472 8.096 -2.056 1.00 0.00 H new ATOM 893 N MET A 60 -14.669 7.567 -0.065 1.00 0.00 N ATOM 894 CA MET A 60 -14.176 7.408 1.298 1.00 0.00 C ATOM 895 C MET A 60 -12.707 7.805 1.393 1.00 0.00 C ATOM 896 O MET A 60 -11.892 7.065 1.946 1.00 0.00 O ATOM 897 CB MET A 60 -14.352 5.961 1.765 1.00 0.00 C ATOM 898 CG MET A 60 -14.626 5.826 3.256 1.00 0.00 C ATOM 899 SD MET A 60 -16.377 5.967 3.658 1.00 0.00 S ATOM 900 CE MET A 60 -16.517 4.765 4.979 1.00 0.00 C ATOM 0 H MET A 60 -14.620 6.720 -0.632 1.00 0.00 H new ATOM 0 HA MET A 60 -14.758 8.065 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.174 5.508 1.211 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.452 5.397 1.518 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.254 4.862 3.604 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.071 6.594 3.794 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.030 3.877 4.610 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.522 4.491 5.328 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.085 5.195 5.804 1.00 0.00 H new ATOM 910 N ASP A 61 -12.376 8.975 0.848 1.00 0.00 N ATOM 911 CA ASP A 61 -11.006 9.477 0.867 1.00 0.00 C ATOM 912 C ASP A 61 -10.036 8.446 0.284 1.00 0.00 C ATOM 913 O ASP A 61 -9.682 8.511 -0.890 1.00 0.00 O ATOM 914 CB ASP A 61 -10.602 9.846 2.298 1.00 0.00 C ATOM 915 CG ASP A 61 -10.476 11.344 2.496 1.00 0.00 C ATOM 916 OD1 ASP A 61 -9.770 11.991 1.695 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.083 11.869 3.453 1.00 0.00 O ATOM 0 H ASP A 61 -13.042 9.594 0.386 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.958 10.371 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.342 9.451 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.652 9.369 2.538 1.00 0.00 H new ATOM 922 N GLY A 62 -9.611 7.502 1.115 1.00 0.00 N ATOM 923 CA GLY A 62 -8.687 6.469 0.672 1.00 0.00 C ATOM 924 C GLY A 62 -9.029 5.099 1.211 1.00 0.00 C ATOM 925 O GLY A 62 -8.551 4.085 0.706 1.00 0.00 O ATOM 0 H GLY A 62 -9.890 7.432 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.685 6.434 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.677 6.734 0.985 1.00 0.00 H new ATOM 929 N LEU A 63 -9.849 5.065 2.244 1.00 0.00 N ATOM 930 CA LEU A 63 -10.249 3.820 2.846 1.00 0.00 C ATOM 931 C LEU A 63 -11.275 3.114 1.956 1.00 0.00 C ATOM 932 O LEU A 63 -11.560 1.927 2.128 1.00 0.00 O ATOM 933 CB LEU A 63 -10.790 4.111 4.246 1.00 0.00 C ATOM 934 CG LEU A 63 -10.828 2.948 5.243 1.00 0.00 C ATOM 935 CD1 LEU A 63 -9.733 1.914 4.989 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.714 3.498 6.659 1.00 0.00 C ATOM 0 H LEU A 63 -10.250 5.894 2.682 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.399 3.144 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.187 4.908 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.803 4.499 4.142 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.779 2.432 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.810 1.114 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.850 1.498 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.756 2.391 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.741 2.674 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.774 4.039 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.546 4.174 6.855 1.00 0.00 H new ATOM 948 N ALA A 64 -11.802 3.856 0.977 1.00 0.00 N ATOM 949 CA ALA A 64 -12.766 3.314 0.032 1.00 0.00 C ATOM 950 C ALA A 64 -12.111 2.255 -0.852 1.00 0.00 C ATOM 951 O ALA A 64 -12.470 1.078 -0.794 1.00 0.00 O ATOM 952 CB ALA A 64 -13.350 4.430 -0.822 1.00 0.00 C ATOM 0 H ALA A 64 -11.572 4.838 0.823 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.574 2.843 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.070 4.011 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.849 5.156 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.549 4.923 -1.373 1.00 0.00 H new ATOM 958 N LEU A 65 -11.142 2.677 -1.672 1.00 0.00 N ATOM 959 CA LEU A 65 -10.444 1.748 -2.560 1.00 0.00 C ATOM 960 C LEU A 65 -9.887 0.563 -1.777 1.00 0.00 C ATOM 961 O LEU A 65 -9.668 -0.510 -2.337 1.00 0.00 O ATOM 962 CB LEU A 65 -9.331 2.440 -3.377 1.00 0.00 C ATOM 963 CG LEU A 65 -8.211 3.165 -2.602 1.00 0.00 C ATOM 964 CD1 LEU A 65 -8.718 4.456 -1.989 1.00 0.00 C ATOM 965 CD2 LEU A 65 -7.590 2.274 -1.536 1.00 0.00 C ATOM 0 H LEU A 65 -10.828 3.645 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.179 1.378 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.865 1.687 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.804 3.166 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.431 3.409 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.907 4.945 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.079 5.116 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.533 4.236 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.806 2.823 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.357 1.971 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.161 1.389 -2.006 1.00 0.00 H new ATOM 977 N LEU A 66 -9.681 0.754 -0.474 1.00 0.00 N ATOM 978 CA LEU A 66 -9.177 -0.314 0.375 1.00 0.00 C ATOM 979 C LEU A 66 -10.181 -1.454 0.373 1.00 0.00 C ATOM 980 O LEU A 66 -9.826 -2.615 0.184 1.00 0.00 O ATOM 981 CB LEU A 66 -8.937 0.197 1.796 1.00 0.00 C ATOM 982 CG LEU A 66 -7.678 -0.343 2.478 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.434 0.333 1.924 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.767 -0.142 3.983 1.00 0.00 C ATOM 0 H LEU A 66 -9.856 1.635 0.010 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.222 -0.671 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.878 1.285 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.801 -0.060 2.408 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.606 -1.411 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.551 -0.066 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.363 0.143 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.495 1.407 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.865 -0.531 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.863 0.921 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.637 -0.673 4.370 1.00 0.00 H new ATOM 996 N LYS A 67 -11.451 -1.104 0.547 1.00 0.00 N ATOM 997 CA LYS A 67 -12.521 -2.090 0.522 1.00 0.00 C ATOM 998 C LYS A 67 -12.467 -2.865 -0.791 1.00 0.00 C ATOM 999 O LYS A 67 -12.655 -4.077 -0.821 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.875 -1.400 0.665 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.968 -0.502 1.887 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.403 -0.364 2.369 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.845 -1.587 3.155 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.685 -1.392 4.623 1.00 0.00 N ATOM 0 H LYS A 67 -11.762 -0.146 0.707 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.392 -2.781 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.068 -0.806 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.657 -2.158 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.352 -0.911 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.567 0.483 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.494 0.524 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.063 -0.221 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.889 -1.806 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.263 -2.452 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.165 -2.163 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.674 -1.395 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.105 -0.482 4.900 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.186 -2.149 -1.874 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.078 -2.769 -3.191 1.00 0.00 C ATOM 1020 C GLN A 68 -10.959 -3.808 -3.190 1.00 0.00 C ATOM 1021 O GLN A 68 -11.030 -4.818 -3.889 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.778 -1.725 -4.273 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.550 -0.421 -4.138 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.958 -0.512 -4.686 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.718 -1.414 -4.336 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.313 0.431 -5.552 1.00 0.00 N ATOM 0 H GLN A 68 -12.029 -1.141 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.034 -3.245 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.711 -1.502 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.997 -2.160 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.592 -0.137 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.012 0.370 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.649 1.160 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.250 0.426 -5.956 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.919 -3.531 -2.408 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.761 -4.412 -2.310 1.00 0.00 C ATOM 1037 C ILE A 69 -9.146 -5.803 -1.826 1.00 0.00 C ATOM 1038 O ILE A 69 -8.739 -6.807 -2.406 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.687 -3.800 -1.379 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.126 -2.524 -2.015 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.570 -4.794 -1.083 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.211 -1.731 -1.106 1.00 0.00 C ATOM 0 H ILE A 69 -9.856 -2.694 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.346 -4.513 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.156 -3.551 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.579 -2.792 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.957 -1.888 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.834 -4.330 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.987 -5.675 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.089 -5.089 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.857 -0.844 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.758 -1.430 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.359 -2.348 -0.820 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.925 -5.857 -0.765 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.356 -7.135 -0.212 1.00 0.00 C ATOM 1056 C LYS A 70 -11.232 -7.884 -1.205 1.00 0.00 C ATOM 1057 O LYS A 70 -11.263 -9.115 -1.220 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.104 -6.935 1.104 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.473 -6.301 0.942 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.585 -7.329 1.075 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.681 -6.848 2.009 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.567 -7.470 3.357 1.00 0.00 N ATOM 0 H LYS A 70 -10.274 -5.038 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.465 -7.731 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.217 -7.901 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.501 -6.310 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.605 -5.522 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.538 -5.818 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.009 -7.537 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.172 -8.266 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.629 -5.763 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.655 -7.085 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.470 -7.371 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.336 -8.479 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.815 -6.995 3.896 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.942 -7.131 -2.031 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.820 -7.713 -3.031 1.00 0.00 C ATOM 1078 C GLN A 71 -12.026 -8.149 -4.256 1.00 0.00 C ATOM 1079 O GLN A 71 -12.388 -9.106 -4.941 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.903 -6.711 -3.436 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.038 -6.595 -2.431 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.747 -5.255 -2.503 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.956 -5.192 -2.725 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -14.996 -4.178 -2.310 1.00 0.00 N ATOM 0 H GLN A 71 -11.926 -6.111 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.297 -8.592 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.446 -5.730 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.314 -7.005 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.759 -7.393 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.644 -6.740 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.997 -4.278 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.418 -3.250 -2.343 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.945 -7.430 -4.528 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.093 -7.723 -5.676 1.00 0.00 C ATOM 1095 C ARG A 72 -8.991 -8.710 -5.319 1.00 0.00 C ATOM 1096 O ARG A 72 -8.858 -9.765 -5.938 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.471 -6.434 -6.217 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.475 -5.494 -6.867 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.325 -5.472 -8.380 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.520 -5.972 -9.054 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.515 -6.522 -10.267 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.382 -6.638 -10.950 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.647 -6.956 -10.800 1.00 0.00 N ATOM 0 H ARG A 72 -10.635 -6.636 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.721 -8.176 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.974 -5.911 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.703 -6.691 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.487 -5.805 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.339 -4.487 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.122 -4.453 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.466 -6.077 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.413 -5.895 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.507 -6.305 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.387 -7.061 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.521 -6.869 -10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.645 -7.377 -11.729 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.201 -8.350 -4.322 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.097 -9.192 -3.875 1.00 0.00 C ATOM 1119 C HIS A 73 -7.562 -10.135 -2.765 1.00 0.00 C ATOM 1120 O HIS A 73 -8.554 -9.865 -2.088 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.901 -8.353 -3.381 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.891 -6.914 -3.828 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.175 -5.933 -3.177 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.511 -6.290 -4.857 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.360 -4.777 -3.783 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.167 -4.965 -4.804 1.00 0.00 N ATOM 0 H HIS A 73 -8.302 -7.478 -3.803 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.766 -9.777 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.888 -8.377 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.981 -8.828 -3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.159 -6.753 -5.587 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.922 -3.834 -3.490 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.485 -4.243 -5.450 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.852 -11.260 -2.565 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.205 -12.240 -1.533 1.00 0.00 C ATOM 1137 C PRO A 74 -7.003 -11.697 -0.120 1.00 0.00 C ATOM 1138 O PRO A 74 -7.944 -11.632 0.670 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.254 -13.411 -1.801 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.107 -12.824 -2.551 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.654 -11.658 -3.329 1.00 0.00 C ATOM 0 HA PRO A 74 -8.259 -12.515 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.922 -13.869 -0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.745 -14.192 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.322 -12.500 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.663 -13.562 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.931 -10.845 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.906 -11.941 -4.351 1.00 0.00 H new ATOM 1149 N MET A 75 -5.772 -11.307 0.186 1.00 0.00 N ATOM 1150 CA MET A 75 -5.437 -10.765 1.498 1.00 0.00 C ATOM 1151 C MET A 75 -4.185 -9.898 1.412 1.00 0.00 C ATOM 1152 O MET A 75 -3.428 -9.777 2.374 1.00 0.00 O ATOM 1153 CB MET A 75 -5.219 -11.896 2.505 1.00 0.00 C ATOM 1154 CG MET A 75 -6.500 -12.396 3.151 1.00 0.00 C ATOM 1155 SD MET A 75 -6.194 -13.631 4.428 1.00 0.00 S ATOM 1156 CE MET A 75 -7.224 -13.009 5.754 1.00 0.00 C ATOM 0 H MET A 75 -4.984 -11.356 -0.460 1.00 0.00 H new ATOM 0 HA MET A 75 -6.270 -10.149 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.728 -12.729 2.002 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.541 -11.550 3.285 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.036 -11.553 3.587 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.147 -12.823 2.385 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.142 -13.668 6.618 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.896 -12.007 6.030 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.262 -12.973 5.422 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.978 -9.299 0.244 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.822 -8.442 0.004 1.00 0.00 C ATOM 1168 C LEU A 76 -2.744 -7.315 1.025 1.00 0.00 C ATOM 1169 O LEU A 76 -3.587 -6.418 1.028 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.915 -7.839 -1.389 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.599 -7.364 -1.993 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.873 -6.699 -3.325 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.885 -6.405 -1.053 1.00 0.00 C ATOM 0 H LEU A 76 -4.602 -9.393 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.926 -9.056 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.354 -8.580 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.603 -6.994 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.947 -8.224 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.934 -6.357 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.347 -7.414 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.536 -5.846 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.051 -6.080 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.519 -5.538 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.675 -6.909 -0.109 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.733 -7.331 1.905 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.575 -6.288 2.917 1.00 0.00 C ATOM 1187 C PRO A 77 -1.341 -4.909 2.297 1.00 0.00 C ATOM 1188 O PRO A 77 -0.318 -4.665 1.657 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.342 -6.735 3.713 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.189 -8.187 3.403 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.677 -8.351 1.995 1.00 0.00 C ATOM 0 HA PRO A 77 -2.471 -6.179 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.544 -6.173 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.481 -6.572 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.851 -8.501 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.770 -8.799 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.116 -8.179 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.064 -9.354 1.814 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.301 -4.015 2.505 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.241 -2.656 1.995 1.00 0.00 C ATOM 1201 C VAL A 78 -1.787 -1.694 3.085 1.00 0.00 C ATOM 1202 O VAL A 78 -2.033 -1.925 4.268 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.620 -2.191 1.483 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.468 -1.009 0.539 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.366 -3.331 0.804 1.00 0.00 C ATOM 0 H VAL A 78 -3.148 -4.217 3.037 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.527 -2.653 1.171 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.209 -1.872 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.451 -0.695 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.989 -0.183 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.855 -1.301 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.334 -2.974 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.784 -3.693 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.515 -4.143 1.515 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.132 -0.614 2.684 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.656 0.380 3.635 1.00 0.00 C ATOM 1217 C ILE A 79 -0.998 1.784 3.158 1.00 0.00 C ATOM 1218 O ILE A 79 -0.523 2.228 2.114 1.00 0.00 O ATOM 1219 CB ILE A 79 0.861 0.273 3.849 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.262 -1.181 4.113 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.294 1.167 4.998 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.126 -1.774 3.023 1.00 0.00 C ATOM 0 H ILE A 79 -0.918 -0.404 1.709 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.156 0.185 4.584 1.00 0.00 H new ATOM 0 HB ILE A 79 1.367 0.607 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.797 -1.236 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.361 -1.785 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.371 1.082 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.039 2.202 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.783 0.860 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.373 -2.805 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.585 -1.751 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.044 -1.194 2.930 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.845 2.468 3.914 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.269 3.808 3.548 1.00 0.00 C ATOM 1236 C ILE A 80 -1.465 4.890 4.267 1.00 0.00 C ATOM 1237 O ILE A 80 -0.986 4.693 5.382 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.771 3.988 3.821 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.551 2.894 3.098 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.243 5.361 3.370 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.368 2.928 1.597 1.00 0.00 C ATOM 0 H ILE A 80 -2.250 2.117 4.782 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.081 3.923 2.481 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.947 3.910 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.235 1.921 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.611 2.997 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.309 5.464 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.694 6.131 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.065 5.474 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.948 2.125 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.711 3.888 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.313 2.795 1.356 1.00 0.00 H new ATOM 1253 N MET A 81 -1.309 6.028 3.593 1.00 0.00 N ATOM 1254 CA MET A 81 -0.541 7.155 4.131 1.00 0.00 C ATOM 1255 C MET A 81 -1.353 8.021 5.103 1.00 0.00 C ATOM 1256 O MET A 81 -0.776 8.732 5.923 1.00 0.00 O ATOM 1257 CB MET A 81 0.045 8.030 3.008 1.00 0.00 C ATOM 1258 CG MET A 81 -0.663 7.936 1.658 1.00 0.00 C ATOM 1259 SD MET A 81 0.362 7.177 0.376 1.00 0.00 S ATOM 1260 CE MET A 81 0.439 5.473 0.927 1.00 0.00 C ATOM 0 H MET A 81 -1.706 6.197 2.668 1.00 0.00 H new ATOM 0 HA MET A 81 0.279 6.711 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.027 9.069 3.335 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.091 7.758 2.869 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.579 7.357 1.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.956 8.936 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.476 5.201 1.124 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.146 5.359 1.840 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.034 4.822 0.153 1.00 0.00 H new ATOM 1270 N THR A 82 -2.678 7.975 5.026 1.00 0.00 N ATOM 1271 CA THR A 82 -3.505 8.772 5.936 1.00 0.00 C ATOM 1272 C THR A 82 -4.827 8.066 6.248 1.00 0.00 C ATOM 1273 O THR A 82 -5.444 7.475 5.367 1.00 0.00 O ATOM 1274 CB THR A 82 -3.763 10.164 5.346 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.599 10.657 4.700 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.169 11.184 6.386 1.00 0.00 C ATOM 0 H THR A 82 -3.199 7.407 4.358 1.00 0.00 H new ATOM 0 HA THR A 82 -2.959 8.886 6.873 1.00 0.00 H new ATOM 0 HB THR A 82 -4.584 10.034 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.676 10.515 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.337 12.147 5.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.087 10.859 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.377 11.282 7.128 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.264 8.128 7.504 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.516 7.487 7.901 1.00 0.00 C ATOM 1286 C ALA A 83 -7.551 8.511 8.356 1.00 0.00 C ATOM 1287 O ALA A 83 -8.264 8.292 9.336 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.281 6.460 8.999 1.00 0.00 C ATOM 0 H ALA A 83 -4.775 8.611 8.258 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.907 6.976 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.229 5.999 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.596 5.693 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.850 6.952 9.871 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.638 9.627 7.640 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.598 10.673 7.980 1.00 0.00 C ATOM 1296 C HIS A 84 -9.987 10.332 7.441 1.00 0.00 C ATOM 1297 O HIS A 84 -10.596 11.124 6.720 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.137 12.024 7.429 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.781 11.994 5.976 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.908 12.893 5.398 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.182 11.169 4.979 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.788 12.622 4.111 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.550 11.581 3.832 1.00 0.00 N ATOM 0 H HIS A 84 -7.059 9.831 6.825 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.656 10.738 9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.927 12.758 7.585 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.271 12.362 7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.870 10.342 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.171 13.161 3.407 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.653 11.152 2.912 1.00 0.00 H new ATOM 1312 N SER A 85 -10.481 9.150 7.797 1.00 0.00 N ATOM 1313 CA SER A 85 -11.795 8.699 7.355 1.00 0.00 C ATOM 1314 C SER A 85 -12.325 7.603 8.276 1.00 0.00 C ATOM 1315 O SER A 85 -11.792 7.388 9.365 1.00 0.00 O ATOM 1316 CB SER A 85 -11.721 8.184 5.915 1.00 0.00 C ATOM 1317 OG SER A 85 -10.924 7.016 5.834 1.00 0.00 O ATOM 0 H SER A 85 -9.988 8.485 8.393 1.00 0.00 H new ATOM 0 HA SER A 85 -12.480 9.546 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.725 7.969 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.306 8.958 5.269 1.00 0.00 H new ATOM 0 HG SER A 85 -11.503 6.226 5.805 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.376 6.913 7.840 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.967 5.842 8.636 1.00 0.00 C ATOM 1325 C ASP A 86 -12.956 4.725 8.881 1.00 0.00 C ATOM 1326 O ASP A 86 -12.915 3.738 8.147 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.210 5.285 7.938 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.430 5.298 8.838 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.368 4.697 9.930 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.446 5.914 8.452 1.00 0.00 O ATOM 0 H ASP A 86 -13.834 7.076 6.943 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.260 6.257 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.415 5.872 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.013 4.264 7.611 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.140 4.891 9.919 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.115 3.907 10.271 1.00 0.00 C ATOM 1337 C LEU A 87 -11.676 2.486 10.328 1.00 0.00 C ATOM 1338 O LEU A 87 -10.932 1.514 10.204 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.480 4.268 11.617 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.073 4.862 11.534 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.519 5.107 12.928 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.152 3.941 10.749 1.00 0.00 C ATOM 0 H LEU A 87 -12.168 5.703 10.536 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.358 3.932 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.128 4.980 12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.443 3.371 12.235 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.131 5.817 11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.517 5.530 12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.167 5.803 13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.475 4.164 13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.155 4.379 10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.098 2.972 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.542 3.811 9.739 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.985 2.369 10.523 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.636 1.063 10.601 1.00 0.00 C ATOM 1356 C ASP A 88 -13.200 0.152 9.455 1.00 0.00 C ATOM 1357 O ASP A 88 -12.883 -1.019 9.662 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.155 1.228 10.575 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.879 0.034 11.166 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.876 -0.108 12.407 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.448 -0.760 10.388 1.00 0.00 O ATOM 0 H ASP A 88 -13.618 3.162 10.630 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.335 0.599 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.429 2.126 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.484 1.375 9.546 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.190 0.700 8.246 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.802 -0.054 7.065 1.00 0.00 C ATOM 1368 C ALA A 89 -11.298 -0.321 7.041 1.00 0.00 C ATOM 1369 O ALA A 89 -10.830 -1.216 6.338 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.240 0.686 5.812 1.00 0.00 C ATOM 0 H ALA A 89 -13.448 1.669 8.059 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.302 -1.022 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.946 0.115 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.323 0.807 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.765 1.667 5.784 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.544 0.462 7.807 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.095 0.305 7.864 1.00 0.00 C ATOM 1378 C ALA A 90 -8.701 -0.908 8.698 1.00 0.00 C ATOM 1379 O ALA A 90 -7.853 -1.700 8.288 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.439 1.556 8.426 1.00 0.00 C ATOM 0 H ALA A 90 -10.912 1.210 8.395 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.743 0.149 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.358 1.417 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.675 2.408 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.812 1.741 9.433 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.314 -1.056 9.870 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.000 -2.186 10.732 1.00 0.00 C ATOM 1388 C VAL A 91 -9.483 -3.483 10.106 1.00 0.00 C ATOM 1389 O VAL A 91 -8.807 -4.509 10.176 1.00 0.00 O ATOM 1390 CB VAL A 91 -9.590 -2.052 12.146 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -8.985 -3.113 13.055 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -9.344 -0.660 12.711 1.00 0.00 C ATOM 0 H VAL A 91 -10.019 -0.418 10.238 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.915 -2.197 10.833 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.668 -2.201 12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.404 -3.016 14.056 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.213 -4.103 12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.904 -2.980 13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.771 -0.593 13.711 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.272 -0.472 12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.813 0.083 12.065 1.00 0.00 H new ATOM 1402 N SER A 92 -10.647 -3.426 9.471 1.00 0.00 N ATOM 1403 CA SER A 92 -11.200 -4.595 8.812 1.00 0.00 C ATOM 1404 C SER A 92 -10.371 -4.939 7.579 1.00 0.00 C ATOM 1405 O SER A 92 -10.359 -6.083 7.125 1.00 0.00 O ATOM 1406 CB SER A 92 -12.656 -4.360 8.418 1.00 0.00 C ATOM 1407 OG SER A 92 -12.765 -3.326 7.456 1.00 0.00 O ATOM 0 H SER A 92 -11.221 -2.586 9.400 1.00 0.00 H new ATOM 0 HA SER A 92 -11.167 -5.431 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.080 -5.280 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.238 -4.100 9.303 1.00 0.00 H new ATOM 0 HG SER A 92 -13.707 -3.197 7.220 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.667 -3.940 7.047 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.825 -4.144 5.881 1.00 0.00 C ATOM 1415 C ALA A 93 -7.703 -5.110 6.207 1.00 0.00 C ATOM 1416 O ALA A 93 -7.396 -6.010 5.429 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.269 -2.825 5.378 1.00 0.00 C ATOM 0 H ALA A 93 -9.667 -2.986 7.408 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.435 -4.575 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.642 -3.004 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.091 -2.164 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.674 -2.358 6.163 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.110 -4.931 7.378 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.035 -5.812 7.821 1.00 0.00 C ATOM 1425 C TYR A 94 -6.575 -7.224 7.992 1.00 0.00 C ATOM 1426 O TYR A 94 -5.848 -8.208 7.859 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.419 -5.336 9.146 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.391 -3.833 9.329 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -4.936 -2.998 8.319 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -5.820 -3.247 10.516 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.909 -1.628 8.479 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -5.793 -1.874 10.684 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.337 -1.070 9.662 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.312 0.298 9.825 1.00 0.00 O ATOM 0 H TYR A 94 -7.351 -4.190 8.036 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.253 -5.796 7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.979 -5.778 9.970 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.399 -5.715 9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.596 -3.429 7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.180 -3.874 11.319 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.553 -0.996 7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.128 -1.434 11.612 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.391 0.733 8.950 1.00 0.00 H new ATOM 1444 N GLN A 95 -7.867 -7.302 8.286 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.542 -8.579 8.479 1.00 0.00 C ATOM 1446 C GLN A 95 -8.771 -9.267 7.137 1.00 0.00 C ATOM 1447 O GLN A 95 -8.710 -10.491 7.032 1.00 0.00 O ATOM 1448 CB GLN A 95 -9.876 -8.361 9.210 1.00 0.00 C ATOM 1449 CG GLN A 95 -10.890 -9.481 9.021 1.00 0.00 C ATOM 1450 CD GLN A 95 -11.724 -9.310 7.764 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -11.843 -10.230 6.955 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.309 -8.126 7.591 1.00 0.00 N ATOM 0 H GLN A 95 -8.472 -6.489 8.397 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.910 -9.224 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.677 -8.244 10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.317 -7.426 8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.366 -10.436 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.550 -9.518 9.888 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.185 -7.390 8.286 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.881 -7.956 6.764 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.033 -8.462 6.114 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.274 -8.974 4.775 1.00 0.00 C ATOM 1463 C GLN A 96 -8.025 -8.883 3.906 1.00 0.00 C ATOM 1464 O GLN A 96 -8.021 -9.347 2.767 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.411 -8.206 4.105 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.313 -6.696 4.272 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.636 -6.059 4.649 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.515 -6.713 5.210 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.784 -4.775 4.343 1.00 0.00 N ATOM 0 H GLN A 96 -9.084 -7.446 6.190 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.550 -10.024 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.421 -8.445 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.360 -8.547 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.573 -6.467 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.955 -6.255 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.029 -4.271 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.653 -4.293 4.573 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.973 -8.273 4.439 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.743 -8.126 3.687 1.00 0.00 C ATOM 1480 C GLY A 97 -5.220 -6.706 3.721 1.00 0.00 C ATOM 1481 O GLY A 97 -5.413 -5.944 2.773 1.00 0.00 O ATOM 0 H GLY A 97 -6.951 -7.878 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.988 -8.800 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.913 -8.424 2.653 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.554 -6.349 4.812 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.007 -5.012 4.959 1.00 0.00 C ATOM 1487 C ALA A 98 -3.057 -4.927 6.152 1.00 0.00 C ATOM 1488 O ALA A 98 -3.334 -5.460 7.227 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.132 -3.996 5.040 1.00 0.00 C ATOM 0 H ALA A 98 -4.381 -6.967 5.605 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.411 -4.777 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.712 -2.996 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.729 -4.041 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.764 -4.221 5.899 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.908 -4.288 5.937 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.892 -4.172 6.975 1.00 0.00 C ATOM 1497 C PHE A 99 -1.249 -3.139 8.038 1.00 0.00 C ATOM 1498 O PHE A 99 -1.250 -3.447 9.229 1.00 0.00 O ATOM 1499 CB PHE A 99 0.456 -3.807 6.355 1.00 0.00 C ATOM 1500 CG PHE A 99 1.602 -3.937 7.315 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.913 -5.165 7.873 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.366 -2.832 7.663 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.965 -5.293 8.759 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.419 -2.956 8.550 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.717 -4.187 9.099 1.00 0.00 C ATOM 0 H PHE A 99 -1.660 -3.844 5.053 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.835 -5.144 7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.638 -4.449 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.414 -2.782 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.326 -6.033 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.136 -1.867 7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.199 -6.257 9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.008 -2.090 8.813 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.538 -4.284 9.794 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.537 -1.913 7.612 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.873 -0.848 8.553 1.00 0.00 C ATOM 1517 C ASP A 100 -1.971 0.505 7.853 1.00 0.00 C ATOM 1518 O ASP A 100 -2.052 0.581 6.627 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.830 -0.780 9.676 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.451 -0.946 11.050 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.757 -2.097 11.428 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.633 0.074 11.747 1.00 0.00 O ATOM 0 H ASP A 100 -1.545 -1.633 6.631 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.848 -1.080 8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.082 -1.558 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.310 0.177 9.628 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.957 1.569 8.650 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.037 2.929 8.132 1.00 0.00 C ATOM 1529 C TYR A 101 -0.867 3.757 8.657 1.00 0.00 C ATOM 1530 O TYR A 101 -0.714 3.931 9.866 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.357 3.584 8.558 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.458 3.538 7.518 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -4.981 2.330 7.070 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.991 4.713 7.005 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.007 2.299 6.141 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.011 4.689 6.076 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.517 3.483 5.648 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.545 3.464 4.733 1.00 0.00 O ATOM 0 H TYR A 101 -1.890 1.513 9.666 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.993 2.889 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.713 3.094 9.464 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.163 4.626 8.814 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.581 1.402 7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.600 5.663 7.339 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.406 1.354 5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.411 5.613 5.686 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.257 4.070 5.028 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.050 4.272 7.749 1.00 0.00 N ATOM 1549 CA LEU A 102 1.093 5.086 8.134 1.00 0.00 C ATOM 1550 C LEU A 102 0.774 6.557 7.904 1.00 0.00 C ATOM 1551 O LEU A 102 0.209 6.908 6.877 1.00 0.00 O ATOM 1552 CB LEU A 102 2.329 4.679 7.326 1.00 0.00 C ATOM 1553 CG LEU A 102 3.568 5.555 7.532 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.450 4.980 8.629 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.350 5.685 6.236 1.00 0.00 C ATOM 0 H LEU A 102 -0.157 4.141 6.743 1.00 0.00 H new ATOM 0 HA LEU A 102 1.304 4.928 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.586 3.651 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.070 4.690 6.267 1.00 0.00 H new ATOM 0 HG LEU A 102 3.240 6.548 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.326 5.615 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.888 4.936 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.769 3.976 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.227 6.311 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.667 4.697 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.718 6.140 5.474 1.00 0.00 H new ATOM 1567 N PRO A 103 1.131 7.441 8.852 1.00 0.00 N ATOM 1568 CA PRO A 103 0.871 8.881 8.731 1.00 0.00 C ATOM 1569 C PRO A 103 1.326 9.424 7.377 1.00 0.00 C ATOM 1570 O PRO A 103 2.013 8.728 6.630 1.00 0.00 O ATOM 1571 CB PRO A 103 1.678 9.496 9.889 1.00 0.00 C ATOM 1572 CG PRO A 103 2.550 8.395 10.400 1.00 0.00 C ATOM 1573 CD PRO A 103 1.819 7.120 10.105 1.00 0.00 C ATOM 0 HA PRO A 103 -0.191 9.121 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.275 10.341 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.018 9.869 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.524 8.409 9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.729 8.504 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.500 6.277 9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.119 6.859 10.899 1.00 0.00 H new ATOM 1581 N LYS A 104 0.921 10.657 7.049 1.00 0.00 N ATOM 1582 CA LYS A 104 1.279 11.263 5.760 1.00 0.00 C ATOM 1583 C LYS A 104 2.730 10.970 5.392 1.00 0.00 C ATOM 1584 O LYS A 104 3.007 10.508 4.284 1.00 0.00 O ATOM 1585 CB LYS A 104 1.029 12.771 5.762 1.00 0.00 C ATOM 1586 CG LYS A 104 0.383 13.275 4.475 1.00 0.00 C ATOM 1587 CD LYS A 104 1.258 13.004 3.255 1.00 0.00 C ATOM 1588 CE LYS A 104 0.435 12.556 2.053 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.747 11.151 1.653 1.00 0.00 N ATOM 0 H LYS A 104 0.351 11.250 7.652 1.00 0.00 H new ATOM 0 HA LYS A 104 0.635 10.811 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.388 13.025 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.976 13.290 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.585 12.792 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.197 14.346 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.813 13.906 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.993 12.236 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.626 12.639 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.627 13.223 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.356 11.157 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.240 10.669 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.137 10.647 1.438 1.00 0.00 H new ATOM 1603 N PRO A 105 3.682 11.208 6.313 1.00 0.00 N ATOM 1604 CA PRO A 105 5.091 10.933 6.045 1.00 0.00 C ATOM 1605 C PRO A 105 5.245 9.546 5.437 1.00 0.00 C ATOM 1606 O PRO A 105 4.319 8.737 5.501 1.00 0.00 O ATOM 1607 CB PRO A 105 5.732 10.996 7.431 1.00 0.00 C ATOM 1608 CG PRO A 105 4.861 11.923 8.208 1.00 0.00 C ATOM 1609 CD PRO A 105 3.465 11.751 7.665 1.00 0.00 C ATOM 0 HA PRO A 105 5.545 11.629 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.773 10.010 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.756 11.366 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.896 11.688 9.272 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.196 12.954 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.877 11.070 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.927 12.699 7.635 1.00 0.00 H new ATOM 1617 N PHE A 106 6.384 9.274 4.823 1.00 0.00 N ATOM 1618 CA PHE A 106 6.586 7.986 4.192 1.00 0.00 C ATOM 1619 C PHE A 106 8.006 7.849 3.648 1.00 0.00 C ATOM 1620 O PHE A 106 8.879 7.308 4.324 1.00 0.00 O ATOM 1621 CB PHE A 106 5.551 7.794 3.076 1.00 0.00 C ATOM 1622 CG PHE A 106 4.655 6.608 3.291 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.196 5.348 3.438 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.277 6.752 3.335 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.386 4.244 3.623 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.462 5.653 3.523 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.016 4.398 3.664 1.00 0.00 C ATOM 0 H PHE A 106 7.171 9.919 4.749 1.00 0.00 H new ATOM 0 HA PHE A 106 6.452 7.206 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.939 8.693 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 106 6.070 7.680 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.268 5.222 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.837 7.732 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.824 3.263 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.390 5.777 3.560 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.379 3.538 3.806 1.00 0.00 H new ATOM 1637 N ASP A 107 8.240 8.331 2.426 1.00 0.00 N ATOM 1638 CA ASP A 107 9.562 8.237 1.811 1.00 0.00 C ATOM 1639 C ASP A 107 10.169 6.857 2.062 1.00 0.00 C ATOM 1640 O ASP A 107 9.482 5.946 2.512 1.00 0.00 O ATOM 1641 CB ASP A 107 10.485 9.331 2.356 1.00 0.00 C ATOM 1642 CG ASP A 107 10.748 9.183 3.841 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.701 8.464 4.206 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.998 9.784 4.639 1.00 0.00 O ATOM 0 H ASP A 107 7.535 8.787 1.847 1.00 0.00 H new ATOM 0 HA ASP A 107 9.453 8.379 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.433 9.303 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.038 10.307 2.165 1.00 0.00 H new ATOM 1649 N ILE A 108 11.447 6.701 1.773 1.00 0.00 N ATOM 1650 CA ILE A 108 12.107 5.420 1.978 1.00 0.00 C ATOM 1651 C ILE A 108 12.220 5.083 3.452 1.00 0.00 C ATOM 1652 O ILE A 108 11.920 3.968 3.877 1.00 0.00 O ATOM 1653 CB ILE A 108 13.503 5.408 1.309 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.389 4.952 -0.140 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.507 4.531 2.055 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.182 5.510 -0.858 1.00 0.00 C ATOM 0 H ILE A 108 12.047 7.436 1.399 1.00 0.00 H new ATOM 0 HA ILE A 108 11.491 4.654 1.508 1.00 0.00 H new ATOM 0 HB ILE A 108 13.880 6.430 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.290 5.249 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.346 3.863 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.468 4.560 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.628 4.902 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.142 3.504 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.167 5.142 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.274 5.192 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.233 6.599 -0.863 1.00 0.00 H new ATOM 1668 N ASP A 109 12.664 6.050 4.218 1.00 0.00 N ATOM 1669 CA ASP A 109 12.838 5.868 5.647 1.00 0.00 C ATOM 1670 C ASP A 109 11.579 5.314 6.308 1.00 0.00 C ATOM 1671 O ASP A 109 11.629 4.280 6.967 1.00 0.00 O ATOM 1672 CB ASP A 109 13.232 7.191 6.301 1.00 0.00 C ATOM 1673 CG ASP A 109 14.108 6.997 7.523 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.872 6.028 8.274 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.029 7.816 7.728 1.00 0.00 O ATOM 0 H ASP A 109 12.914 6.978 3.877 1.00 0.00 H new ATOM 0 HA ASP A 109 13.635 5.139 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.760 7.809 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.331 7.734 6.586 1.00 0.00 H new ATOM 1680 N GLU A 110 10.464 6.023 6.161 1.00 0.00 N ATOM 1681 CA GLU A 110 9.215 5.613 6.783 1.00 0.00 C ATOM 1682 C GLU A 110 8.500 4.494 6.023 1.00 0.00 C ATOM 1683 O GLU A 110 7.774 3.707 6.633 1.00 0.00 O ATOM 1684 CB GLU A 110 8.286 6.820 6.962 1.00 0.00 C ATOM 1685 CG GLU A 110 8.934 7.991 7.683 1.00 0.00 C ATOM 1686 CD GLU A 110 8.816 7.887 9.191 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.764 7.418 9.673 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.775 8.276 9.891 1.00 0.00 O ATOM 0 H GLU A 110 10.402 6.883 5.616 1.00 0.00 H new ATOM 0 HA GLU A 110 9.474 5.205 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.945 7.153 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.402 6.507 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.987 8.044 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.470 8.919 7.349 1.00 0.00 H new ATOM 1695 N ALA A 111 8.698 4.398 4.710 1.00 0.00 N ATOM 1696 CA ALA A 111 8.042 3.343 3.947 1.00 0.00 C ATOM 1697 C ALA A 111 8.840 2.057 4.010 1.00 0.00 C ATOM 1698 O ALA A 111 8.319 1.011 4.397 1.00 0.00 O ATOM 1699 CB ALA A 111 7.799 3.746 2.501 1.00 0.00 C ATOM 0 H ALA A 111 9.293 5.022 4.164 1.00 0.00 H new ATOM 0 HA ALA A 111 7.068 3.176 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.309 2.928 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.162 4.630 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.752 3.969 2.020 1.00 0.00 H new ATOM 1705 N VAL A 112 10.113 2.133 3.636 1.00 0.00 N ATOM 1706 CA VAL A 112 10.966 0.960 3.671 1.00 0.00 C ATOM 1707 C VAL A 112 10.982 0.370 5.071 1.00 0.00 C ATOM 1708 O VAL A 112 11.078 -0.842 5.257 1.00 0.00 O ATOM 1709 CB VAL A 112 12.402 1.265 3.234 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.204 -0.024 3.171 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.406 1.972 1.890 1.00 0.00 C ATOM 0 H VAL A 112 10.569 2.985 3.310 1.00 0.00 H new ATOM 0 HA VAL A 112 10.549 0.244 2.963 1.00 0.00 H new ATOM 0 HB VAL A 112 12.866 1.928 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.225 0.197 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.218 -0.492 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.745 -0.703 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.433 2.182 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.935 1.334 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.853 2.908 1.969 1.00 0.00 H new ATOM 1721 N ALA A 113 10.857 1.245 6.052 1.00 0.00 N ATOM 1722 CA ALA A 113 10.818 0.829 7.440 1.00 0.00 C ATOM 1723 C ALA A 113 9.631 -0.091 7.660 1.00 0.00 C ATOM 1724 O ALA A 113 9.754 -1.188 8.203 1.00 0.00 O ATOM 1725 CB ALA A 113 10.688 2.047 8.338 1.00 0.00 C ATOM 0 H ALA A 113 10.781 2.252 5.911 1.00 0.00 H new ATOM 0 HA ALA A 113 11.740 0.300 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.659 1.729 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.542 2.706 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.769 2.581 8.096 1.00 0.00 H new ATOM 1731 N LEU A 114 8.475 0.399 7.241 1.00 0.00 N ATOM 1732 CA LEU A 114 7.223 -0.321 7.384 1.00 0.00 C ATOM 1733 C LEU A 114 7.089 -1.480 6.393 1.00 0.00 C ATOM 1734 O LEU A 114 6.300 -2.396 6.621 1.00 0.00 O ATOM 1735 CB LEU A 114 6.057 0.651 7.212 1.00 0.00 C ATOM 1736 CG LEU A 114 4.689 0.104 7.615 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.408 0.392 9.082 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.600 0.701 6.741 1.00 0.00 C ATOM 0 H LEU A 114 8.380 1.310 6.791 1.00 0.00 H new ATOM 0 HA LEU A 114 7.209 -0.757 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.261 1.545 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.014 0.960 6.168 1.00 0.00 H new ATOM 0 HG LEU A 114 4.696 -0.976 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.429 -0.005 9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.173 -0.081 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.421 1.469 9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.632 0.301 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.596 1.785 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.790 0.447 5.698 1.00 0.00 H new ATOM 1750 N VAL A 115 7.836 -1.441 5.291 1.00 0.00 N ATOM 1751 CA VAL A 115 7.744 -2.511 4.296 1.00 0.00 C ATOM 1752 C VAL A 115 8.533 -3.748 4.712 1.00 0.00 C ATOM 1753 O VAL A 115 8.003 -4.859 4.711 1.00 0.00 O ATOM 1754 CB VAL A 115 8.199 -2.061 2.885 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.707 -1.924 2.804 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.706 -3.041 1.832 1.00 0.00 C ATOM 0 H VAL A 115 8.498 -0.698 5.066 1.00 0.00 H new ATOM 0 HA VAL A 115 6.685 -2.766 4.245 1.00 0.00 H new ATOM 0 HB VAL A 115 7.762 -1.081 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.990 -1.607 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.044 -1.182 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.172 -2.885 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.034 -2.711 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.113 -4.031 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.617 -3.084 1.857 1.00 0.00 H new ATOM 1766 N GLU A 116 9.801 -3.557 5.061 1.00 0.00 N ATOM 1767 CA GLU A 116 10.645 -4.666 5.471 1.00 0.00 C ATOM 1768 C GLU A 116 10.124 -5.285 6.761 1.00 0.00 C ATOM 1769 O GLU A 116 10.007 -6.503 6.872 1.00 0.00 O ATOM 1770 CB GLU A 116 12.089 -4.194 5.646 1.00 0.00 C ATOM 1771 CG GLU A 116 12.776 -3.831 4.336 1.00 0.00 C ATOM 1772 CD GLU A 116 14.264 -4.118 4.362 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.836 -4.184 5.471 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.859 -4.276 3.275 1.00 0.00 O ATOM 0 H GLU A 116 10.262 -2.647 5.067 1.00 0.00 H new ATOM 0 HA GLU A 116 10.621 -5.429 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.101 -3.326 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.661 -4.979 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.316 -4.390 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.617 -2.773 4.127 1.00 0.00 H new ATOM 1781 N ARG A 117 9.797 -4.433 7.730 1.00 0.00 N ATOM 1782 CA ARG A 117 9.273 -4.896 9.009 1.00 0.00 C ATOM 1783 C ARG A 117 7.946 -5.621 8.821 1.00 0.00 C ATOM 1784 O ARG A 117 7.584 -6.494 9.610 1.00 0.00 O ATOM 1785 CB ARG A 117 9.089 -3.716 9.968 1.00 0.00 C ATOM 1786 CG ARG A 117 10.398 -3.120 10.460 1.00 0.00 C ATOM 1787 CD ARG A 117 10.193 -2.276 11.709 1.00 0.00 C ATOM 1788 NE ARG A 117 10.614 -0.889 11.509 1.00 0.00 N ATOM 1789 CZ ARG A 117 11.675 -0.337 12.097 1.00 0.00 C ATOM 1790 NH1 ARG A 117 12.445 -1.044 12.915 1.00 0.00 N ATOM 1791 NH2 ARG A 117 11.970 0.935 11.861 1.00 0.00 N ATOM 0 H ARG A 117 9.886 -3.420 7.652 1.00 0.00 H new ATOM 0 HA ARG A 117 9.993 -5.594 9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.511 -2.939 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.504 -4.045 10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.106 -3.921 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.838 -2.507 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.141 -2.298 11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.755 -2.710 12.536 1.00 0.00 H new ATOM 0 HE ARG A 117 10.060 -0.308 10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.228 -2.023 13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.254 -0.608 13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.386 1.486 11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.781 1.362 12.309 1.00 0.00 H new ATOM 1805 N ALA A 118 7.228 -5.249 7.770 1.00 0.00 N ATOM 1806 CA ALA A 118 5.939 -5.855 7.466 1.00 0.00 C ATOM 1807 C ALA A 118 6.106 -7.282 6.963 1.00 0.00 C ATOM 1808 O ALA A 118 5.514 -8.216 7.504 1.00 0.00 O ATOM 1809 CB ALA A 118 5.190 -5.019 6.439 1.00 0.00 C ATOM 0 H ALA A 118 7.518 -4.527 7.111 1.00 0.00 H new ATOM 0 HA ALA A 118 5.358 -5.888 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.229 -5.485 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.027 -4.017 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.777 -4.956 5.523 1.00 0.00 H new ATOM 1815 N ILE A 119 6.915 -7.446 5.922 1.00 0.00 N ATOM 1816 CA ILE A 119 7.158 -8.757 5.343 1.00 0.00 C ATOM 1817 C ILE A 119 7.933 -9.648 6.303 1.00 0.00 C ATOM 1818 O ILE A 119 7.757 -10.866 6.321 1.00 0.00 O ATOM 1819 CB ILE A 119 7.929 -8.642 4.016 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.254 -7.627 3.095 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.029 -9.996 3.332 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.235 -6.800 2.299 1.00 0.00 C ATOM 0 H ILE A 119 7.413 -6.684 5.463 1.00 0.00 H new ATOM 0 HA ILE A 119 6.185 -9.209 5.150 1.00 0.00 H new ATOM 0 HB ILE A 119 8.939 -8.295 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.592 -8.154 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.630 -6.963 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.578 -9.891 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.553 -10.695 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.028 -10.374 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.691 -6.100 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.881 -6.247 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.842 -7.456 1.676 1.00 0.00 H new ATOM 1834 N SER A 120 8.790 -9.029 7.099 1.00 0.00 N ATOM 1835 CA SER A 120 9.598 -9.757 8.071 1.00 0.00 C ATOM 1836 C SER A 120 8.727 -10.310 9.195 1.00 0.00 C ATOM 1837 O SER A 120 8.926 -11.436 9.650 1.00 0.00 O ATOM 1838 CB SER A 120 10.685 -8.854 8.653 1.00 0.00 C ATOM 1839 OG SER A 120 11.941 -9.116 8.051 1.00 0.00 O ATOM 0 H SER A 120 8.946 -8.021 7.093 1.00 0.00 H new ATOM 0 HA SER A 120 10.072 -10.591 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.415 -7.809 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.754 -9.010 9.730 1.00 0.00 H new ATOM 0 HG SER A 120 12.619 -8.525 8.439 1.00 0.00 H new ATOM 1845 N HIS A 121 7.762 -9.510 9.638 1.00 0.00 N ATOM 1846 CA HIS A 121 6.860 -9.919 10.710 1.00 0.00 C ATOM 1847 C HIS A 121 6.123 -11.201 10.343 1.00 0.00 C ATOM 1848 O HIS A 121 5.727 -11.974 11.214 1.00 0.00 O ATOM 1849 CB HIS A 121 5.856 -8.807 11.019 1.00 0.00 C ATOM 1850 CG HIS A 121 6.369 -7.779 11.980 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.570 -7.900 12.647 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.833 -6.603 12.385 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.750 -6.844 13.421 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.712 -6.043 13.279 1.00 0.00 N ATOM 0 H HIS A 121 7.584 -8.575 9.271 1.00 0.00 H new ATOM 0 HA HIS A 121 7.460 -10.110 11.600 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.577 -8.313 10.088 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.949 -9.252 11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.891 -6.184 12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.602 -6.667 14.061 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.583 -5.151 13.756 1.00 0.00 H new ATOM 1863 N TYR A 122 5.945 -11.420 9.047 1.00 0.00 N ATOM 1864 CA TYR A 122 5.262 -12.606 8.560 1.00 0.00 C ATOM 1865 C TYR A 122 6.229 -13.782 8.456 1.00 0.00 C ATOM 1866 O TYR A 122 5.975 -14.859 8.993 1.00 0.00 O ATOM 1867 CB TYR A 122 4.619 -12.329 7.200 1.00 0.00 C ATOM 1868 CG TYR A 122 3.314 -11.569 7.292 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.291 -12.006 8.124 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.106 -10.414 6.547 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.097 -11.314 8.211 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.916 -9.717 6.629 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.914 -10.170 7.463 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.276 -9.480 7.549 1.00 0.00 O ATOM 0 H TYR A 122 6.266 -10.788 8.314 1.00 0.00 H new ATOM 0 HA TYR A 122 4.479 -12.866 9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.318 -11.762 6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.443 -13.276 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.430 -12.901 8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.887 -10.056 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.311 -11.668 8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.770 -8.822 6.043 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.244 -8.697 6.960 1.00 0.00 H new ATOM 1884 N GLN A 123 7.343 -13.563 7.763 1.00 0.00 N ATOM 1885 CA GLN A 123 8.355 -14.594 7.589 1.00 0.00 C ATOM 1886 C GLN A 123 9.183 -14.759 8.860 1.00 0.00 C ATOM 1887 O GLN A 123 9.039 -13.987 9.808 1.00 0.00 O ATOM 1888 CB GLN A 123 9.268 -14.246 6.411 1.00 0.00 C ATOM 1889 CG GLN A 123 9.706 -15.454 5.596 1.00 0.00 C ATOM 1890 CD GLN A 123 10.625 -15.080 4.448 1.00 0.00 C ATOM 1891 OE1 GLN A 123 10.194 -14.984 3.299 1.00 0.00 O ATOM 1892 NE2 GLN A 123 11.900 -14.869 4.756 1.00 0.00 N ATOM 0 H GLN A 123 7.566 -12.676 7.312 1.00 0.00 H new ATOM 0 HA GLN A 123 7.850 -15.537 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.749 -13.546 5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.153 -13.734 6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.216 -16.163 6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.825 -15.960 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.213 -14.960 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.566 -14.616 4.026 1.00 0.00 H new ATOM 1901 N GLU A 124 10.049 -15.768 8.876 1.00 0.00 N ATOM 1902 CA GLU A 124 10.899 -16.027 10.032 1.00 0.00 C ATOM 1903 C GLU A 124 10.060 -16.376 11.258 1.00 0.00 C ATOM 1904 O GLU A 124 8.967 -16.929 11.138 1.00 0.00 O ATOM 1905 CB GLU A 124 11.776 -14.809 10.330 1.00 0.00 C ATOM 1906 CG GLU A 124 13.131 -14.848 9.641 1.00 0.00 C ATOM 1907 CD GLU A 124 14.266 -14.444 10.561 1.00 0.00 C ATOM 1908 OE1 GLU A 124 14.146 -14.666 11.784 1.00 0.00 O ATOM 1909 OE2 GLU A 124 15.274 -13.904 10.058 1.00 0.00 O ATOM 0 H GLU A 124 10.180 -16.419 8.102 1.00 0.00 H new ATOM 0 HA GLU A 124 11.538 -16.878 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.247 -13.907 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.928 -14.736 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.314 -15.855 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.114 -14.183 8.777 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.584 10.741 0.526 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.251 11.941 -0.283 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.811 10.772 1.795 1.00 0.00 F HETATM 1920 F3 BEF A 125 -4.034 10.741 0.844 1.00 0.00 F