USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.45 K(o=-1.3,f=0.57) USER MOD Set 1.2: A 69 THR OG1 : rot 5:sc= 1.11 USER MOD Set 2.1: A 17 SER OG : rot -132:sc= -2.71 USER MOD Set 2.2: A 19 ASN : amide:sc= -2.61 K(o=-5.3,f=-7.6) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.422 K(o=-0.42,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -0.857 (180deg=-1.15) USER MOD Single : A 20 MET CE :methyl -126:sc= -1.67 (180deg=-5.72!) USER MOD Single : A 24 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 29 ASN : amide:sc= -5.08! C(o=-5.1!,f=-18!) USER MOD Single : A 31 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 33 HIS : no HE2:sc= -6.72 K(o=-6.7,f=-5.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.27 USER MOD Single : A 43 MET CE :methyl -153:sc= -9.5! (180deg=-11.9!) USER MOD Single : A 44 THR OG1 : rot -123:sc= -1.77 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0406) USER MOD Single : A 57 ASN : amide:sc= -1.2 K(o=-1.2,f=-16!) USER MOD Single : A 59 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 9.657 9.374 -8.452 1.00 0.00 C HETATM 2 O ACE A 0 9.980 8.875 -7.374 1.00 0.00 O HETATM 3 CH3 ACE A 0 9.076 10.769 -8.522 1.00 0.00 C HETATM 0 H1 ACE A 0 9.716 11.399 -9.139 1.00 0.00 H new HETATM 0 H2 ACE A 0 8.079 10.726 -8.960 1.00 0.00 H new HETATM 0 H3 ACE A 0 9.014 11.188 -7.518 1.00 0.00 H new ATOM 7 N SER A 1 9.790 8.751 -9.623 1.00 0.00 N ATOM 8 CA SER A 1 10.351 7.369 -9.754 1.00 0.00 C ATOM 9 C SER A 1 11.839 7.293 -9.308 1.00 0.00 C ATOM 10 O SER A 1 12.650 8.090 -9.794 1.00 0.00 O ATOM 11 CB SER A 1 10.138 6.915 -11.214 1.00 0.00 C ATOM 12 OG SER A 1 10.512 5.544 -11.382 1.00 0.00 O ATOM 0 H SER A 1 9.520 9.170 -10.513 1.00 0.00 H new ATOM 0 HA SER A 1 9.829 6.687 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.092 7.047 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.727 7.542 -11.884 1.00 0.00 H new ATOM 0 HG SER A 1 10.367 5.277 -12.314 1.00 0.00 H new ATOM 18 N ARG A 2 12.218 6.417 -8.343 1.00 0.00 N ATOM 19 CA ARG A 2 13.613 6.351 -7.923 1.00 0.00 C ATOM 20 C ARG A 2 13.976 4.939 -7.476 1.00 0.00 C ATOM 21 O ARG A 2 14.323 4.711 -6.316 1.00 0.00 O ATOM 22 CB ARG A 2 13.873 7.346 -6.789 1.00 0.00 C ATOM 23 CG ARG A 2 12.973 7.139 -5.579 1.00 0.00 C ATOM 24 CD ARG A 2 13.764 7.157 -4.279 1.00 0.00 C ATOM 25 NE ARG A 2 13.432 6.023 -3.420 1.00 0.00 N ATOM 26 CZ ARG A 2 14.121 5.693 -2.330 1.00 0.00 C ATOM 27 NH1 ARG A 2 15.178 6.406 -1.963 1.00 0.00 N ATOM 28 NH2 ARG A 2 13.749 4.648 -1.604 1.00 0.00 N ATOM 0 H ARG A 2 11.590 5.772 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 2 14.240 6.615 -8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.914 7.263 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 2 13.733 8.359 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.213 7.920 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.450 6.188 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.831 7.142 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.564 8.086 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 2 12.625 5.451 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.467 7.212 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.702 6.148 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.936 4.098 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.276 4.394 -0.768 1.00 0.00 H new ATOM 42 N ARG A 3 13.894 3.993 -8.406 1.00 0.00 N ATOM 43 CA ARG A 3 14.214 2.601 -8.114 1.00 0.00 C ATOM 44 C ARG A 3 13.378 2.081 -6.948 1.00 0.00 C ATOM 45 O ARG A 3 13.777 2.189 -5.788 1.00 0.00 O ATOM 46 CB ARG A 3 15.705 2.453 -7.797 1.00 0.00 C ATOM 47 CG ARG A 3 16.196 1.015 -7.830 1.00 0.00 C ATOM 48 CD ARG A 3 16.060 0.347 -6.471 1.00 0.00 C ATOM 49 NE ARG A 3 17.278 -0.362 -6.086 1.00 0.00 N ATOM 50 CZ ARG A 3 17.716 -1.467 -6.688 1.00 0.00 C ATOM 51 NH1 ARG A 3 17.036 -1.994 -7.698 1.00 0.00 N ATOM 52 NH2 ARG A 3 18.835 -2.047 -6.276 1.00 0.00 N ATOM 0 H ARG A 3 13.608 4.166 -9.370 1.00 0.00 H new ATOM 0 HA ARG A 3 13.978 2.008 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 3 16.280 3.041 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.901 2.872 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.628 0.453 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.239 0.993 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.826 1.100 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.225 -0.353 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 3 17.825 0.011 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.173 -1.553 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.376 -2.840 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.360 -1.647 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.170 -2.893 -6.737 1.00 0.00 H new ATOM 66 N CYS A 4 12.217 1.514 -7.263 1.00 0.00 N ATOM 67 CA CYS A 4 11.330 0.976 -6.239 1.00 0.00 C ATOM 68 C CYS A 4 11.223 -0.534 -6.352 1.00 0.00 C ATOM 69 O CYS A 4 11.208 -1.084 -7.454 1.00 0.00 O ATOM 70 CB CYS A 4 9.940 1.614 -6.339 1.00 0.00 C ATOM 71 SG CYS A 4 9.954 3.436 -6.287 1.00 0.00 S ATOM 0 H CYS A 4 11.870 1.416 -8.217 1.00 0.00 H new ATOM 0 HA CYS A 4 11.756 1.218 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 4 9.469 1.291 -7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.321 1.242 -5.522 1.00 0.00 H new ATOM 76 N PRO A 5 11.160 -1.235 -5.208 1.00 0.00 N ATOM 77 CA PRO A 5 11.068 -2.686 -5.194 1.00 0.00 C ATOM 78 C PRO A 5 9.680 -3.182 -5.585 1.00 0.00 C ATOM 79 O PRO A 5 8.728 -2.404 -5.649 1.00 0.00 O ATOM 80 CB PRO A 5 11.379 -3.074 -3.737 1.00 0.00 C ATOM 81 CG PRO A 5 11.781 -1.808 -3.049 1.00 0.00 C ATOM 82 CD PRO A 5 11.188 -0.683 -3.847 1.00 0.00 C ATOM 0 HA PRO A 5 11.752 -3.132 -5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.507 -3.519 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.179 -3.813 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.415 -1.791 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.866 -1.720 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.190 -0.419 -3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.796 0.220 -3.788 1.00 0.00 H new ATOM 89 N GLY A 6 9.569 -4.483 -5.833 1.00 0.00 N ATOM 90 CA GLY A 6 8.289 -5.062 -6.201 1.00 0.00 C ATOM 91 C GLY A 6 7.752 -4.529 -7.513 1.00 0.00 C ATOM 92 O GLY A 6 8.281 -3.568 -8.072 1.00 0.00 O ATOM 0 H GLY A 6 10.342 -5.147 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.393 -6.145 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.566 -4.862 -5.411 1.00 0.00 H new ATOM 96 N LYS A 7 6.690 -5.162 -7.995 1.00 0.00 N ATOM 97 CA LYS A 7 6.051 -4.776 -9.245 1.00 0.00 C ATOM 98 C LYS A 7 5.402 -3.393 -9.120 1.00 0.00 C ATOM 99 O LYS A 7 4.949 -3.010 -8.042 1.00 0.00 O ATOM 100 CB LYS A 7 5.034 -5.848 -9.622 1.00 0.00 C ATOM 101 CG LYS A 7 4.480 -5.695 -11.022 1.00 0.00 C ATOM 102 CD LYS A 7 3.784 -6.967 -11.489 1.00 0.00 C ATOM 103 CE LYS A 7 4.739 -8.149 -11.517 1.00 0.00 C ATOM 104 NZ LYS A 7 4.108 -9.362 -12.106 1.00 0.00 N ATOM 0 H LYS A 7 6.249 -5.956 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 7 6.796 -4.701 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.502 -6.828 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.210 -5.821 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.776 -4.864 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.289 -5.448 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.948 -7.190 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.368 -6.811 -12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.626 -7.885 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.072 -8.370 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.793 -10.144 -12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.277 -9.630 -11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.813 -9.160 -13.083 1.00 0.00 H new ATOM 118 N ASN A 8 5.396 -2.632 -10.218 1.00 0.00 N ATOM 119 CA ASN A 8 4.841 -1.273 -10.210 1.00 0.00 C ATOM 120 C ASN A 8 3.498 -1.171 -10.942 1.00 0.00 C ATOM 121 O ASN A 8 2.877 -0.114 -10.954 1.00 0.00 O ATOM 122 CB ASN A 8 5.839 -0.301 -10.842 1.00 0.00 C ATOM 123 CG ASN A 8 7.208 -0.373 -10.193 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.422 -1.134 -9.248 1.00 0.00 O ATOM 125 ND2 ASN A 8 8.143 0.424 -10.697 1.00 0.00 N ATOM 0 H ASN A 8 5.767 -2.931 -11.120 1.00 0.00 H new ATOM 0 HA ASN A 8 4.661 -1.012 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.932 -0.521 -11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.454 0.715 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.083 0.422 -10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.921 1.038 -11.480 1.00 0.00 H new ATOM 132 N ALA A 9 3.057 -2.260 -11.548 1.00 0.00 N ATOM 133 CA ALA A 9 1.790 -2.276 -12.277 1.00 0.00 C ATOM 134 C ALA A 9 1.314 -3.710 -12.438 1.00 0.00 C ATOM 135 O ALA A 9 2.097 -4.593 -12.785 1.00 0.00 O ATOM 136 CB ALA A 9 1.950 -1.616 -13.637 1.00 0.00 C ATOM 0 H ALA A 9 3.556 -3.150 -11.552 1.00 0.00 H new ATOM 0 HA ALA A 9 1.047 -1.714 -11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.997 -1.637 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.269 -0.582 -13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.699 -2.155 -14.217 1.00 0.00 H new ATOM 142 N TRP A 10 0.037 -3.948 -12.180 1.00 0.00 N ATOM 143 CA TRP A 10 -0.509 -5.296 -12.292 1.00 0.00 C ATOM 144 C TRP A 10 -1.634 -5.376 -13.325 1.00 0.00 C ATOM 145 O TRP A 10 -2.790 -5.606 -12.974 1.00 0.00 O ATOM 146 CB TRP A 10 -1.017 -5.764 -10.928 1.00 0.00 C ATOM 147 CG TRP A 10 0.073 -5.999 -9.925 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.602 -7.203 -9.568 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.760 -5.011 -9.141 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.575 -7.028 -8.617 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.692 -5.692 -8.338 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.680 -3.620 -9.041 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.537 -5.034 -7.448 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.521 -2.963 -8.153 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.438 -3.673 -7.370 1.00 0.00 C ATOM 0 H TRP A 10 -0.635 -3.236 -11.895 1.00 0.00 H new ATOM 0 HA TRP A 10 0.294 -5.951 -12.632 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.708 -5.019 -10.533 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.583 -6.686 -11.058 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.299 -8.157 -9.975 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.123 -7.773 -8.187 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.024 -3.065 -9.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.245 -5.579 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.467 -1.888 -8.065 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.081 -3.134 -6.690 1.00 0.00 H new ATOM 166 N PRO A 11 -1.313 -5.211 -14.621 1.00 0.00 N ATOM 167 CA PRO A 11 -2.313 -5.288 -15.692 1.00 0.00 C ATOM 168 C PRO A 11 -3.172 -6.547 -15.595 1.00 0.00 C ATOM 169 O PRO A 11 -4.371 -6.517 -15.876 1.00 0.00 O ATOM 170 CB PRO A 11 -1.468 -5.320 -16.967 1.00 0.00 C ATOM 171 CG PRO A 11 -0.192 -4.646 -16.599 1.00 0.00 C ATOM 172 CD PRO A 11 0.042 -4.954 -15.144 1.00 0.00 C ATOM 0 HA PRO A 11 -3.017 -4.457 -15.650 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.293 -6.343 -17.299 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.967 -4.801 -17.785 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.632 -5.012 -17.212 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.258 -3.571 -16.763 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.692 -5.820 -15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.519 -4.120 -14.629 1.00 0.00 H new ATOM 179 N GLU A 12 -2.548 -7.653 -15.201 1.00 0.00 N ATOM 180 CA GLU A 12 -3.250 -8.927 -15.070 1.00 0.00 C ATOM 181 C GLU A 12 -4.362 -8.862 -14.024 1.00 0.00 C ATOM 182 O GLU A 12 -5.211 -9.752 -13.960 1.00 0.00 O ATOM 183 CB GLU A 12 -2.267 -10.036 -14.718 1.00 0.00 C ATOM 184 CG GLU A 12 -1.448 -9.742 -13.480 1.00 0.00 C ATOM 185 CD GLU A 12 -0.009 -9.393 -13.802 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.214 -8.364 -14.476 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.893 -10.146 -13.380 1.00 0.00 O ATOM 0 H GLU A 12 -1.556 -7.693 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.714 -9.145 -16.032 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.817 -10.965 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.594 -10.196 -15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.905 -8.916 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.469 -10.610 -12.821 1.00 0.00 H new ATOM 194 N LEU A 13 -4.363 -7.811 -13.209 1.00 0.00 N ATOM 195 CA LEU A 13 -5.388 -7.654 -12.184 1.00 0.00 C ATOM 196 C LEU A 13 -6.670 -7.091 -12.787 1.00 0.00 C ATOM 197 O LEU A 13 -7.756 -7.280 -12.241 1.00 0.00 O ATOM 198 CB LEU A 13 -4.897 -6.743 -11.053 1.00 0.00 C ATOM 199 CG LEU A 13 -3.908 -7.394 -10.084 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.572 -6.447 -8.942 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.470 -8.703 -9.549 1.00 0.00 C ATOM 0 H LEU A 13 -3.672 -7.062 -13.238 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.598 -8.640 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.427 -5.864 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.761 -6.393 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.988 -7.611 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.867 -6.929 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.125 -5.537 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.483 -6.195 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.754 -9.153 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.405 -8.510 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.654 -9.386 -10.378 1.00 0.00 H new ATOM 213 N VAL A 14 -6.541 -6.406 -13.920 1.00 0.00 N ATOM 214 CA VAL A 14 -7.696 -5.822 -14.594 1.00 0.00 C ATOM 215 C VAL A 14 -8.770 -6.878 -14.842 1.00 0.00 C ATOM 216 O VAL A 14 -8.570 -7.808 -15.625 1.00 0.00 O ATOM 217 CB VAL A 14 -7.296 -5.179 -15.937 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.501 -4.537 -16.610 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.186 -4.158 -15.730 1.00 0.00 C ATOM 0 H VAL A 14 -5.650 -6.242 -14.389 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.094 -5.048 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.922 -5.964 -16.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.194 -4.090 -17.556 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.261 -5.296 -16.797 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.912 -3.765 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.916 -3.714 -16.688 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.532 -3.377 -15.053 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.314 -4.651 -15.300 1.00 0.00 H new ATOM 229 N GLY A 15 -9.903 -6.737 -14.164 1.00 0.00 N ATOM 230 CA GLY A 15 -10.981 -7.691 -14.318 1.00 0.00 C ATOM 231 C GLY A 15 -11.185 -8.532 -13.073 1.00 0.00 C ATOM 232 O GLY A 15 -12.190 -9.231 -12.945 1.00 0.00 O ATOM 0 H GLY A 15 -10.093 -5.978 -13.510 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.904 -7.159 -14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.768 -8.344 -15.164 1.00 0.00 H new ATOM 236 N LYS A 16 -10.229 -8.462 -12.148 1.00 0.00 N ATOM 237 CA LYS A 16 -10.315 -9.220 -10.907 1.00 0.00 C ATOM 238 C LYS A 16 -10.932 -8.375 -9.795 1.00 0.00 C ATOM 239 O LYS A 16 -10.903 -7.147 -9.848 1.00 0.00 O ATOM 240 CB LYS A 16 -8.927 -9.705 -10.489 1.00 0.00 C ATOM 241 CG LYS A 16 -8.954 -10.894 -9.546 1.00 0.00 C ATOM 242 CD LYS A 16 -9.527 -12.134 -10.215 1.00 0.00 C ATOM 243 CE LYS A 16 -8.436 -12.995 -10.827 1.00 0.00 C ATOM 244 NZ LYS A 16 -7.612 -12.234 -11.807 1.00 0.00 N ATOM 0 H LYS A 16 -9.390 -7.889 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.958 -10.084 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.362 -9.973 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.394 -8.884 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.943 -11.104 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.550 -10.647 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.084 -12.718 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.234 -11.836 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.794 -13.383 -10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.887 -13.855 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.981 -12.888 -12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.236 -11.758 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.043 -11.524 -11.304 1.00 0.00 H new ATOM 258 N SER A 17 -11.493 -9.041 -8.789 1.00 0.00 N ATOM 259 CA SER A 17 -12.119 -8.347 -7.668 1.00 0.00 C ATOM 260 C SER A 17 -11.136 -7.402 -6.991 1.00 0.00 C ATOM 261 O SER A 17 -9.959 -7.725 -6.833 1.00 0.00 O ATOM 262 CB SER A 17 -12.652 -9.349 -6.643 1.00 0.00 C ATOM 263 OG SER A 17 -11.613 -9.816 -5.800 1.00 0.00 O ATOM 0 H SER A 17 -11.527 -10.059 -8.727 1.00 0.00 H new ATOM 0 HA SER A 17 -12.950 -7.764 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.430 -8.879 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.113 -10.191 -7.159 1.00 0.00 H new ATOM 0 HG SER A 17 -11.655 -10.793 -5.739 1.00 0.00 H new ATOM 269 N GLY A 18 -11.628 -6.238 -6.581 1.00 0.00 N ATOM 270 CA GLY A 18 -10.776 -5.267 -5.916 1.00 0.00 C ATOM 271 C GLY A 18 -9.986 -5.880 -4.773 1.00 0.00 C ATOM 272 O GLY A 18 -8.864 -5.458 -4.491 1.00 0.00 O ATOM 0 H GLY A 18 -12.599 -5.949 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.086 -4.836 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.389 -4.450 -5.534 1.00 0.00 H new ATOM 276 N ASN A 19 -10.567 -6.884 -4.120 1.00 0.00 N ATOM 277 CA ASN A 19 -9.902 -7.553 -3.008 1.00 0.00 C ATOM 278 C ASN A 19 -8.758 -8.425 -3.508 1.00 0.00 C ATOM 279 O ASN A 19 -7.659 -8.402 -2.954 1.00 0.00 O ATOM 280 CB ASN A 19 -10.900 -8.403 -2.217 1.00 0.00 C ATOM 281 CG ASN A 19 -11.730 -9.306 -3.109 1.00 0.00 C ATOM 282 OD1 ASN A 19 -12.742 -8.885 -3.668 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.306 -10.558 -3.245 1.00 0.00 N ATOM 0 H ASN A 19 -11.493 -7.250 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.493 -6.786 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.359 -9.011 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.563 -7.748 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.825 -11.211 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.461 -10.866 -2.763 1.00 0.00 H new ATOM 290 N MET A 20 -9.023 -9.189 -4.561 1.00 0.00 N ATOM 291 CA MET A 20 -8.010 -10.060 -5.138 1.00 0.00 C ATOM 292 C MET A 20 -6.853 -9.229 -5.678 1.00 0.00 C ATOM 293 O MET A 20 -5.686 -9.574 -5.496 1.00 0.00 O ATOM 294 CB MET A 20 -8.611 -10.917 -6.254 1.00 0.00 C ATOM 295 CG MET A 20 -8.220 -12.384 -6.177 1.00 0.00 C ATOM 296 SD MET A 20 -6.436 -12.631 -6.271 1.00 0.00 S ATOM 297 CE MET A 20 -6.026 -12.783 -4.535 1.00 0.00 C ATOM 0 H MET A 20 -9.928 -9.222 -5.030 1.00 0.00 H new ATOM 0 HA MET A 20 -7.636 -10.723 -4.358 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.697 -10.837 -6.216 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.296 -10.516 -7.217 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.593 -12.807 -5.244 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.702 -12.928 -6.989 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.245 -12.066 -4.282 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.912 -12.582 -3.933 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.671 -13.793 -4.332 1.00 0.00 H new ATOM 307 N ALA A 21 -7.191 -8.125 -6.335 1.00 0.00 N ATOM 308 CA ALA A 21 -6.188 -7.232 -6.894 1.00 0.00 C ATOM 309 C ALA A 21 -5.318 -6.642 -5.792 1.00 0.00 C ATOM 310 O ALA A 21 -4.095 -6.786 -5.807 1.00 0.00 O ATOM 311 CB ALA A 21 -6.855 -6.125 -7.694 1.00 0.00 C ATOM 0 H ALA A 21 -8.154 -7.828 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.548 -7.808 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.093 -5.464 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.435 -6.562 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.517 -5.554 -7.043 1.00 0.00 H new ATOM 317 N ALA A 22 -5.957 -5.989 -4.823 1.00 0.00 N ATOM 318 CA ALA A 22 -5.236 -5.387 -3.708 1.00 0.00 C ATOM 319 C ALA A 22 -4.322 -6.407 -3.042 1.00 0.00 C ATOM 320 O ALA A 22 -3.178 -6.104 -2.704 1.00 0.00 O ATOM 321 CB ALA A 22 -6.212 -4.805 -2.696 1.00 0.00 C ATOM 0 H ALA A 22 -6.969 -5.865 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.617 -4.579 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.657 -4.360 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.822 -4.041 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.856 -5.597 -2.315 1.00 0.00 H new ATOM 327 N ALA A 23 -4.835 -7.620 -2.861 1.00 0.00 N ATOM 328 CA ALA A 23 -4.062 -8.687 -2.244 1.00 0.00 C ATOM 329 C ALA A 23 -2.840 -9.025 -3.091 1.00 0.00 C ATOM 330 O ALA A 23 -1.736 -9.170 -2.571 1.00 0.00 O ATOM 331 CB ALA A 23 -4.930 -9.921 -2.046 1.00 0.00 C ATOM 0 H ALA A 23 -5.781 -7.886 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.717 -8.343 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.339 -10.711 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.773 -9.673 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.301 -10.264 -3.012 1.00 0.00 H new ATOM 337 N THR A 24 -3.044 -9.142 -4.399 1.00 0.00 N ATOM 338 CA THR A 24 -1.955 -9.460 -5.319 1.00 0.00 C ATOM 339 C THR A 24 -0.845 -8.420 -5.227 1.00 0.00 C ATOM 340 O THR A 24 0.337 -8.759 -5.225 1.00 0.00 O ATOM 341 CB THR A 24 -2.476 -9.544 -6.753 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.534 -10.483 -6.845 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.414 -9.949 -7.753 1.00 0.00 C ATOM 0 H THR A 24 -3.953 -9.022 -4.847 1.00 0.00 H new ATOM 0 HA THR A 24 -1.545 -10.429 -5.034 1.00 0.00 H new ATOM 0 HB THR A 24 -2.817 -8.538 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.367 -10.068 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.850 -9.990 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.605 -9.219 -7.740 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.021 -10.931 -7.489 1.00 0.00 H new ATOM 351 N VAL A 25 -1.234 -7.154 -5.146 1.00 0.00 N ATOM 352 CA VAL A 25 -0.272 -6.065 -5.050 1.00 0.00 C ATOM 353 C VAL A 25 0.478 -6.103 -3.724 1.00 0.00 C ATOM 354 O VAL A 25 1.705 -6.182 -3.702 1.00 0.00 O ATOM 355 CB VAL A 25 -0.963 -4.697 -5.211 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.067 -3.582 -5.301 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.867 -4.700 -6.435 1.00 0.00 C ATOM 0 H VAL A 25 -2.210 -6.856 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 25 0.443 -6.198 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.580 -4.516 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.442 -2.625 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.668 -3.568 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.714 -3.753 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.348 -3.727 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.273 -4.904 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.629 -5.471 -6.323 1.00 0.00 H new ATOM 367 N GLU A 26 -0.255 -6.042 -2.619 1.00 0.00 N ATOM 368 CA GLU A 26 0.362 -6.069 -1.299 1.00 0.00 C ATOM 369 C GLU A 26 1.136 -7.368 -1.070 1.00 0.00 C ATOM 370 O GLU A 26 2.065 -7.407 -0.263 1.00 0.00 O ATOM 371 CB GLU A 26 -0.704 -5.893 -0.219 1.00 0.00 C ATOM 372 CG GLU A 26 -1.292 -4.492 -0.180 1.00 0.00 C ATOM 373 CD GLU A 26 -2.746 -4.477 0.248 1.00 0.00 C ATOM 374 OE1 GLU A 26 -3.158 -5.395 0.986 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.472 -3.542 -0.154 1.00 0.00 O ATOM 0 H GLU A 26 -1.273 -5.974 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 26 1.072 -5.243 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.506 -6.612 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.269 -6.124 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.710 -3.877 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.204 -4.038 -1.167 1.00 0.00 H new ATOM 382 N ARG A 27 0.752 -8.427 -1.777 1.00 0.00 N ATOM 383 CA ARG A 27 1.419 -9.720 -1.638 1.00 0.00 C ATOM 384 C ARG A 27 2.668 -9.783 -2.512 1.00 0.00 C ATOM 385 O ARG A 27 3.775 -9.988 -2.014 1.00 0.00 O ATOM 386 CB ARG A 27 0.466 -10.855 -2.010 1.00 0.00 C ATOM 387 CG ARG A 27 0.828 -12.189 -1.378 1.00 0.00 C ATOM 388 CD ARG A 27 -0.391 -13.085 -1.245 1.00 0.00 C ATOM 389 NE ARG A 27 -0.968 -13.416 -2.548 1.00 0.00 N ATOM 390 CZ ARG A 27 -2.274 -13.399 -2.815 1.00 0.00 C ATOM 391 NH1 ARG A 27 -3.155 -13.083 -1.872 1.00 0.00 N ATOM 392 NH2 ARG A 27 -2.702 -13.703 -4.033 1.00 0.00 N ATOM 0 H ARG A 27 -0.015 -8.417 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 27 1.718 -9.835 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.545 -10.582 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.455 -10.968 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.584 -12.688 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.267 -12.021 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.112 -14.003 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.142 -12.588 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.330 -13.676 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.835 -12.850 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.152 -13.073 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.033 -13.949 -4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.701 -13.691 -4.240 1.00 0.00 H new ATOM 406 N GLU A 28 2.485 -9.601 -3.817 1.00 0.00 N ATOM 407 CA GLU A 28 3.602 -9.631 -4.753 1.00 0.00 C ATOM 408 C GLU A 28 4.588 -8.517 -4.433 1.00 0.00 C ATOM 409 O GLU A 28 5.788 -8.643 -4.677 1.00 0.00 O ATOM 410 CB GLU A 28 3.104 -9.493 -6.194 1.00 0.00 C ATOM 411 CG GLU A 28 2.223 -10.647 -6.647 1.00 0.00 C ATOM 412 CD GLU A 28 2.065 -10.703 -8.155 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.161 -9.639 -8.802 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.846 -11.810 -8.689 1.00 0.00 O ATOM 0 H GLU A 28 1.576 -9.432 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 28 4.108 -10.591 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.546 -8.562 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.963 -9.419 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.651 -11.586 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.240 -10.552 -6.186 1.00 0.00 H new ATOM 421 N ASN A 29 4.070 -7.425 -3.879 1.00 0.00 N ATOM 422 CA ASN A 29 4.896 -6.284 -3.519 1.00 0.00 C ATOM 423 C ASN A 29 4.602 -5.831 -2.090 1.00 0.00 C ATOM 424 O ASN A 29 3.804 -4.924 -1.865 1.00 0.00 O ATOM 425 CB ASN A 29 4.651 -5.137 -4.494 1.00 0.00 C ATOM 426 CG ASN A 29 5.600 -3.983 -4.253 1.00 0.00 C ATOM 427 OD1 ASN A 29 6.035 -3.752 -3.124 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.930 -3.255 -5.316 1.00 0.00 N ATOM 0 H ASN A 29 3.078 -7.309 -3.670 1.00 0.00 H new ATOM 0 HA ASN A 29 5.943 -6.584 -3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.769 -5.497 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.623 -4.789 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.569 -2.467 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.544 -3.485 -6.232 1.00 0.00 H new ATOM 435 N ARG A 30 5.260 -6.469 -1.130 1.00 0.00 N ATOM 436 CA ARG A 30 5.074 -6.142 0.279 1.00 0.00 C ATOM 437 C ARG A 30 5.493 -4.704 0.601 1.00 0.00 C ATOM 438 O ARG A 30 5.260 -4.223 1.709 1.00 0.00 O ATOM 439 CB ARG A 30 5.865 -7.121 1.151 1.00 0.00 C ATOM 440 CG ARG A 30 5.029 -7.777 2.239 1.00 0.00 C ATOM 441 CD ARG A 30 5.887 -8.610 3.179 1.00 0.00 C ATOM 442 NE ARG A 30 5.791 -8.146 4.561 1.00 0.00 N ATOM 443 CZ ARG A 30 6.521 -7.154 5.067 1.00 0.00 C ATOM 444 NH1 ARG A 30 7.409 -6.519 4.312 1.00 0.00 N ATOM 445 NH2 ARG A 30 6.362 -6.794 6.333 1.00 0.00 N ATOM 0 H ARG A 30 5.930 -7.219 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 30 4.009 -6.229 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.293 -7.896 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.698 -6.592 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.505 -7.009 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.269 -8.410 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.577 -9.654 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.927 -8.569 2.854 1.00 0.00 H new ATOM 0 HE ARG A 30 5.123 -8.611 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.536 -6.790 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.964 -5.760 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.681 -7.277 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.921 -6.034 6.721 1.00 0.00 H new ATOM 459 N ASN A 31 6.117 -4.019 -0.358 1.00 0.00 N ATOM 460 CA ASN A 31 6.562 -2.647 -0.135 1.00 0.00 C ATOM 461 C ASN A 31 5.470 -1.630 -0.464 1.00 0.00 C ATOM 462 O ASN A 31 5.613 -0.444 -0.167 1.00 0.00 O ATOM 463 CB ASN A 31 7.811 -2.350 -0.964 1.00 0.00 C ATOM 464 CG ASN A 31 8.383 -0.974 -0.676 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.299 -0.069 -1.506 1.00 0.00 O ATOM 466 ND2 ASN A 31 8.965 -0.811 0.506 1.00 0.00 N ATOM 0 H ASN A 31 6.323 -4.388 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 31 6.797 -2.554 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.569 -3.106 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.567 -2.424 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.365 0.093 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.012 -1.590 1.163 1.00 0.00 H new ATOM 473 N VAL A 32 4.384 -2.086 -1.083 1.00 0.00 N ATOM 474 CA VAL A 32 3.294 -1.186 -1.442 1.00 0.00 C ATOM 475 C VAL A 32 2.015 -1.510 -0.689 1.00 0.00 C ATOM 476 O VAL A 32 1.932 -2.496 0.045 1.00 0.00 O ATOM 477 CB VAL A 32 2.990 -1.226 -2.953 1.00 0.00 C ATOM 478 CG1 VAL A 32 4.243 -0.972 -3.767 1.00 0.00 C ATOM 479 CG2 VAL A 32 2.357 -2.553 -3.344 1.00 0.00 C ATOM 0 H VAL A 32 4.237 -3.061 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 32 3.634 -0.188 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 32 2.278 -0.430 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.000 -1.006 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.646 0.010 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.986 -1.737 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.152 -2.557 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.040 -3.367 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.425 -2.687 -2.795 1.00 0.00 H new ATOM 489 N HIS A 33 1.014 -0.668 -0.903 1.00 0.00 N ATOM 490 CA HIS A 33 -0.295 -0.838 -0.284 1.00 0.00 C ATOM 491 C HIS A 33 -1.385 -0.414 -1.268 1.00 0.00 C ATOM 492 O HIS A 33 -1.348 0.691 -1.816 1.00 0.00 O ATOM 493 CB HIS A 33 -0.373 -0.048 1.036 1.00 0.00 C ATOM 494 CG HIS A 33 -1.134 1.242 0.963 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.383 1.408 1.524 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.809 2.438 0.417 1.00 0.00 C ATOM 497 CE1 HIS A 33 -2.791 2.649 1.327 1.00 0.00 C ATOM 498 NE2 HIS A 33 -1.854 3.294 0.659 1.00 0.00 N ATOM 0 H HIS A 33 1.085 0.150 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.450 -1.889 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.835 -0.681 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.641 0.165 1.374 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.910 0.685 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.103 2.674 -0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.732 3.065 1.657 1.00 0.00 H new ATOM 507 N ALA A 34 -2.332 -1.312 -1.522 1.00 0.00 N ATOM 508 CA ALA A 34 -3.405 -1.033 -2.466 1.00 0.00 C ATOM 509 C ALA A 34 -4.671 -0.563 -1.767 1.00 0.00 C ATOM 510 O ALA A 34 -5.152 -1.197 -0.828 1.00 0.00 O ATOM 511 CB ALA A 34 -3.693 -2.264 -3.311 1.00 0.00 C ATOM 0 H ALA A 34 -2.377 -2.234 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.071 -0.222 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.497 -2.043 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.796 -2.544 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.993 -3.088 -2.663 1.00 0.00 H new ATOM 517 N ILE A 35 -5.210 0.551 -2.249 1.00 0.00 N ATOM 518 CA ILE A 35 -6.432 1.120 -1.699 1.00 0.00 C ATOM 519 C ILE A 35 -7.595 0.895 -2.655 1.00 0.00 C ATOM 520 O ILE A 35 -7.564 1.347 -3.800 1.00 0.00 O ATOM 521 CB ILE A 35 -6.286 2.630 -1.444 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.986 2.922 -0.694 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.484 3.154 -0.666 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.642 4.394 -0.635 1.00 0.00 C ATOM 0 H ILE A 35 -4.815 1.081 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.624 0.620 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.249 3.143 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.067 2.535 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.169 2.385 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.366 4.224 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.395 2.977 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.550 2.637 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.708 4.528 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.529 4.782 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.441 4.934 -0.126 1.00 0.00 H new ATOM 536 N VAL A 36 -8.617 0.188 -2.194 1.00 0.00 N ATOM 537 CA VAL A 36 -9.767 -0.094 -3.029 1.00 0.00 C ATOM 538 C VAL A 36 -10.713 1.098 -3.104 1.00 0.00 C ATOM 539 O VAL A 36 -11.055 1.710 -2.091 1.00 0.00 O ATOM 540 CB VAL A 36 -10.522 -1.337 -2.519 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.205 -1.065 -1.183 1.00 0.00 C ATOM 542 CG2 VAL A 36 -11.528 -1.817 -3.555 1.00 0.00 C ATOM 0 H VAL A 36 -8.670 -0.197 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.396 -0.294 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.790 -2.129 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.728 -1.962 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.456 -0.788 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.920 -0.250 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.050 -2.695 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.249 -1.025 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.006 -2.075 -4.476 1.00 0.00 H new ATOM 552 N LEU A 37 -11.119 1.425 -4.324 1.00 0.00 N ATOM 553 CA LEU A 37 -12.012 2.547 -4.567 1.00 0.00 C ATOM 554 C LEU A 37 -12.744 2.361 -5.890 1.00 0.00 C ATOM 555 O LEU A 37 -12.226 1.727 -6.803 1.00 0.00 O ATOM 556 CB LEU A 37 -11.220 3.857 -4.590 1.00 0.00 C ATOM 557 CG LEU A 37 -9.793 3.749 -5.140 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.785 3.959 -6.648 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.878 4.749 -4.452 1.00 0.00 C ATOM 0 H LEU A 37 -10.840 0.923 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.744 2.590 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.769 4.584 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.172 4.251 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.419 2.747 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.764 3.879 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.406 3.200 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.179 4.948 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.870 4.657 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.248 5.760 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.860 4.548 -3.381 1.00 0.00 H new ATOM 571 N LYS A 38 -13.950 2.907 -5.993 1.00 0.00 N ATOM 572 CA LYS A 38 -14.733 2.775 -7.217 1.00 0.00 C ATOM 573 C LYS A 38 -14.436 3.907 -8.199 1.00 0.00 C ATOM 574 O LYS A 38 -14.043 5.009 -7.804 1.00 0.00 O ATOM 575 CB LYS A 38 -16.229 2.746 -6.896 1.00 0.00 C ATOM 576 CG LYS A 38 -16.613 1.687 -5.876 1.00 0.00 C ATOM 577 CD LYS A 38 -18.116 1.450 -5.854 1.00 0.00 C ATOM 578 CE LYS A 38 -18.722 1.792 -4.500 1.00 0.00 C ATOM 579 NZ LYS A 38 -19.442 0.632 -3.904 1.00 0.00 N ATOM 0 H LYS A 38 -14.404 3.441 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.448 1.834 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.531 3.724 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.786 2.571 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.100 0.754 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.278 1.996 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.591 2.054 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.323 0.407 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.934 2.117 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.412 2.629 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.840 0.906 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.211 0.337 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.779 -0.158 -3.773 1.00 0.00 H new ATOM 593 N GLU A 39 -14.642 3.626 -9.485 1.00 0.00 N ATOM 594 CA GLU A 39 -14.405 4.611 -10.536 1.00 0.00 C ATOM 595 C GLU A 39 -15.069 5.941 -10.198 1.00 0.00 C ATOM 596 O GLU A 39 -16.294 6.032 -10.110 1.00 0.00 O ATOM 597 CB GLU A 39 -14.930 4.098 -11.877 1.00 0.00 C ATOM 598 CG GLU A 39 -16.397 3.701 -11.844 1.00 0.00 C ATOM 599 CD GLU A 39 -16.869 3.113 -13.157 1.00 0.00 C ATOM 600 OE1 GLU A 39 -16.466 1.974 -13.476 1.00 0.00 O ATOM 601 OE2 GLU A 39 -17.639 3.791 -13.869 1.00 0.00 O ATOM 0 H GLU A 39 -14.973 2.722 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.329 4.769 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.788 4.870 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.336 3.238 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.556 2.975 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.001 4.576 -11.603 1.00 0.00 H new ATOM 608 N GLY A 40 -14.253 6.967 -10.006 1.00 0.00 N ATOM 609 CA GLY A 40 -14.776 8.277 -9.678 1.00 0.00 C ATOM 610 C GLY A 40 -14.403 8.716 -8.275 1.00 0.00 C ATOM 611 O GLY A 40 -14.743 9.825 -7.860 1.00 0.00 O ATOM 0 H GLY A 40 -13.236 6.915 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.399 9.006 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.862 8.266 -9.775 1.00 0.00 H new ATOM 615 N SER A 41 -13.702 7.854 -7.541 1.00 0.00 N ATOM 616 CA SER A 41 -13.292 8.181 -6.183 1.00 0.00 C ATOM 617 C SER A 41 -12.222 9.269 -6.191 1.00 0.00 C ATOM 618 O SER A 41 -11.847 9.778 -7.248 1.00 0.00 O ATOM 619 CB SER A 41 -12.762 6.930 -5.476 1.00 0.00 C ATOM 620 OG SER A 41 -12.222 7.249 -4.206 1.00 0.00 O ATOM 0 H SER A 41 -13.409 6.932 -7.863 1.00 0.00 H new ATOM 0 HA SER A 41 -14.162 8.554 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.568 6.206 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.996 6.458 -6.092 1.00 0.00 H new ATOM 0 HG SER A 41 -11.893 6.432 -3.776 1.00 0.00 H new ATOM 626 N ALA A 42 -11.729 9.609 -5.005 1.00 0.00 N ATOM 627 CA ALA A 42 -10.690 10.614 -4.862 1.00 0.00 C ATOM 628 C ALA A 42 -9.330 9.945 -4.924 1.00 0.00 C ATOM 629 O ALA A 42 -8.915 9.266 -3.985 1.00 0.00 O ATOM 630 CB ALA A 42 -10.855 11.376 -3.556 1.00 0.00 C ATOM 0 H ALA A 42 -12.037 9.198 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.773 11.331 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.067 12.124 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.827 11.870 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.790 10.681 -2.719 1.00 0.00 H new ATOM 636 N MET A 43 -8.660 10.103 -6.047 1.00 0.00 N ATOM 637 CA MET A 43 -7.367 9.486 -6.244 1.00 0.00 C ATOM 638 C MET A 43 -6.316 10.514 -6.600 1.00 0.00 C ATOM 639 O MET A 43 -6.288 11.033 -7.716 1.00 0.00 O ATOM 640 CB MET A 43 -7.449 8.416 -7.334 1.00 0.00 C ATOM 641 CG MET A 43 -8.405 8.752 -8.465 1.00 0.00 C ATOM 642 SD MET A 43 -8.966 7.298 -9.381 1.00 0.00 S ATOM 643 CE MET A 43 -7.569 6.181 -9.223 1.00 0.00 C ATOM 0 H MET A 43 -8.991 10.655 -6.838 1.00 0.00 H new ATOM 0 HA MET A 43 -7.075 9.016 -5.305 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.453 8.259 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.757 7.474 -6.880 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.271 9.273 -8.057 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.915 9.440 -9.154 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.549 5.501 -10.075 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.644 6.757 -9.196 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.665 5.606 -8.302 1.00 0.00 H new ATOM 653 N THR A 44 -5.445 10.802 -5.643 1.00 0.00 N ATOM 654 CA THR A 44 -4.386 11.764 -5.862 1.00 0.00 C ATOM 655 C THR A 44 -3.548 11.354 -7.065 1.00 0.00 C ATOM 656 O THR A 44 -3.386 10.160 -7.342 1.00 0.00 O ATOM 657 CB THR A 44 -3.496 11.892 -4.622 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.277 10.626 -4.025 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.069 12.816 -3.565 1.00 0.00 C ATOM 0 H THR A 44 -5.454 10.383 -4.713 1.00 0.00 H new ATOM 0 HA THR A 44 -4.842 12.735 -6.057 1.00 0.00 H new ATOM 0 HB THR A 44 -2.560 12.320 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.571 10.650 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.389 12.861 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.194 13.815 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.037 12.437 -3.236 1.00 0.00 H new ATOM 667 N LYS A 45 -3.029 12.347 -7.776 1.00 0.00 N ATOM 668 CA LYS A 45 -2.212 12.102 -8.953 1.00 0.00 C ATOM 669 C LYS A 45 -0.761 11.851 -8.566 1.00 0.00 C ATOM 670 O LYS A 45 -0.021 11.184 -9.287 1.00 0.00 O ATOM 671 CB LYS A 45 -2.296 13.279 -9.914 1.00 0.00 C ATOM 672 CG LYS A 45 -3.476 13.203 -10.870 1.00 0.00 C ATOM 673 CD LYS A 45 -3.168 12.320 -12.070 1.00 0.00 C ATOM 674 CE LYS A 45 -4.009 11.053 -12.062 1.00 0.00 C ATOM 675 NZ LYS A 45 -5.445 11.339 -12.329 1.00 0.00 N ATOM 0 H LYS A 45 -3.162 13.334 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.597 11.211 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.364 14.202 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.374 13.331 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.347 12.812 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.733 14.206 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.355 12.876 -12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.111 12.056 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.631 10.361 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.911 10.558 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.940 10.452 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.874 11.775 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.525 11.990 -13.136 1.00 0.00 H new ATOM 689 N ASP A 46 -0.360 12.397 -7.420 1.00 0.00 N ATOM 690 CA ASP A 46 1.004 12.236 -6.927 1.00 0.00 C ATOM 691 C ASP A 46 1.456 10.783 -7.037 1.00 0.00 C ATOM 692 O ASP A 46 0.694 9.860 -6.753 1.00 0.00 O ATOM 693 CB ASP A 46 1.102 12.704 -5.473 1.00 0.00 C ATOM 694 CG ASP A 46 1.615 14.127 -5.360 1.00 0.00 C ATOM 695 OD1 ASP A 46 2.831 14.336 -5.556 1.00 0.00 O ATOM 696 OD2 ASP A 46 0.802 15.030 -5.075 1.00 0.00 O ATOM 0 H ASP A 46 -0.962 12.956 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 46 1.661 12.849 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.120 12.636 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.765 12.036 -4.923 1.00 0.00 H new ATOM 701 N PHE A 47 2.698 10.594 -7.462 1.00 0.00 N ATOM 702 CA PHE A 47 3.259 9.259 -7.630 1.00 0.00 C ATOM 703 C PHE A 47 3.823 8.729 -6.310 1.00 0.00 C ATOM 704 O PHE A 47 4.585 9.416 -5.630 1.00 0.00 O ATOM 705 CB PHE A 47 4.346 9.299 -8.706 1.00 0.00 C ATOM 706 CG PHE A 47 5.210 8.074 -8.754 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.774 6.932 -9.402 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.455 8.066 -8.150 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.566 5.804 -9.446 1.00 0.00 C ATOM 710 CE2 PHE A 47 7.251 6.940 -8.191 1.00 0.00 C ATOM 711 CZ PHE A 47 6.806 5.808 -8.841 1.00 0.00 C ATOM 0 H PHE A 47 3.339 11.352 -7.698 1.00 0.00 H new ATOM 0 HA PHE A 47 2.467 8.579 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.873 9.435 -9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.979 10.170 -8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.804 6.924 -9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.807 8.951 -7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.216 4.918 -9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.220 6.945 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.428 4.925 -8.876 1.00 0.00 H new ATOM 721 N ARG A 48 3.438 7.502 -5.956 1.00 0.00 N ATOM 722 CA ARG A 48 3.900 6.876 -4.719 1.00 0.00 C ATOM 723 C ARG A 48 4.094 5.374 -4.905 1.00 0.00 C ATOM 724 O ARG A 48 3.129 4.632 -5.099 1.00 0.00 O ATOM 725 CB ARG A 48 2.901 7.125 -3.590 1.00 0.00 C ATOM 726 CG ARG A 48 2.921 8.548 -3.062 1.00 0.00 C ATOM 727 CD ARG A 48 1.514 9.087 -2.870 1.00 0.00 C ATOM 728 NE ARG A 48 1.079 8.967 -1.481 1.00 0.00 N ATOM 729 CZ ARG A 48 0.808 10.005 -0.690 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.935 11.250 -1.138 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.413 9.797 0.558 1.00 0.00 N ATOM 0 H ARG A 48 2.807 6.923 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 48 4.859 7.323 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.897 6.893 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.114 6.439 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.457 8.578 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.466 9.188 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.480 10.133 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.824 8.544 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 48 0.976 8.030 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.243 11.418 -2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.725 12.037 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.317 8.845 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.205 10.589 1.166 1.00 0.00 H new ATOM 745 N CYS A 49 5.348 4.935 -4.849 1.00 0.00 N ATOM 746 CA CYS A 49 5.674 3.521 -5.007 1.00 0.00 C ATOM 747 C CYS A 49 5.083 2.677 -3.886 1.00 0.00 C ATOM 748 O CYS A 49 5.052 1.459 -3.988 1.00 0.00 O ATOM 749 CB CYS A 49 7.192 3.322 -5.038 1.00 0.00 C ATOM 750 SG CYS A 49 8.006 3.948 -6.542 1.00 0.00 S ATOM 0 H CYS A 49 6.156 5.539 -4.695 1.00 0.00 H new ATOM 0 HA CYS A 49 5.239 3.195 -5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.628 3.818 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.408 2.258 -4.939 1.00 0.00 H new ATOM 755 N ASP A 50 4.623 3.312 -2.813 1.00 0.00 N ATOM 756 CA ASP A 50 4.051 2.573 -1.696 1.00 0.00 C ATOM 757 C ASP A 50 2.528 2.539 -1.765 1.00 0.00 C ATOM 758 O ASP A 50 1.884 1.879 -0.951 1.00 0.00 O ATOM 759 CB ASP A 50 4.499 3.190 -0.374 1.00 0.00 C ATOM 760 CG ASP A 50 3.997 4.607 -0.201 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.077 5.384 -1.174 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.521 4.940 0.906 1.00 0.00 O ATOM 0 H ASP A 50 4.635 4.325 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 50 4.412 1.546 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.138 2.576 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.588 3.184 -0.324 1.00 0.00 H new ATOM 767 N ARG A 51 1.951 3.241 -2.735 1.00 0.00 N ATOM 768 CA ARG A 51 0.503 3.270 -2.879 1.00 0.00 C ATOM 769 C ARG A 51 0.074 2.786 -4.254 1.00 0.00 C ATOM 770 O ARG A 51 0.732 3.061 -5.258 1.00 0.00 O ATOM 771 CB ARG A 51 -0.030 4.683 -2.643 1.00 0.00 C ATOM 772 CG ARG A 51 -1.548 4.758 -2.528 1.00 0.00 C ATOM 773 CD ARG A 51 -2.021 6.198 -2.458 1.00 0.00 C ATOM 774 NE ARG A 51 -1.925 6.867 -3.751 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.760 8.180 -3.900 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.694 8.974 -2.837 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.660 8.700 -5.115 1.00 0.00 N ATOM 0 H ARG A 51 2.460 3.792 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 51 0.085 2.597 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.414 5.081 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.295 5.325 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.005 4.263 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.875 4.221 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.054 6.224 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.425 6.740 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.988 6.294 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.770 8.579 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.567 9.979 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.709 8.095 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.534 9.706 -5.231 1.00 0.00 H new ATOM 791 N VAL A 52 -1.043 2.075 -4.287 1.00 0.00 N ATOM 792 CA VAL A 52 -1.595 1.563 -5.531 1.00 0.00 C ATOM 793 C VAL A 52 -3.110 1.718 -5.521 1.00 0.00 C ATOM 794 O VAL A 52 -3.790 1.152 -4.668 1.00 0.00 O ATOM 795 CB VAL A 52 -1.229 0.080 -5.755 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.799 -0.422 -7.075 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.282 -0.109 -5.715 1.00 0.00 C ATOM 0 H VAL A 52 -1.589 1.838 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.164 2.141 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.670 -0.507 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.529 -1.469 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.885 -0.325 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.392 0.169 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.522 -1.160 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.745 0.492 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.663 0.206 -4.743 1.00 0.00 H new ATOM 807 N TRP A 53 -3.635 2.495 -6.467 1.00 0.00 N ATOM 808 CA TRP A 53 -5.075 2.729 -6.544 1.00 0.00 C ATOM 809 C TRP A 53 -5.769 1.535 -7.180 1.00 0.00 C ATOM 810 O TRP A 53 -5.304 0.998 -8.186 1.00 0.00 O ATOM 811 CB TRP A 53 -5.386 3.981 -7.384 1.00 0.00 C ATOM 812 CG TRP A 53 -5.052 5.305 -6.748 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.458 6.378 -7.354 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.314 5.705 -5.405 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.350 7.423 -6.465 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.858 7.026 -5.258 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.890 5.068 -4.316 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.962 7.718 -4.056 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.995 5.751 -3.121 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.531 7.066 -2.998 1.00 0.00 C ATOM 0 H TRP A 53 -3.089 2.970 -7.186 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.440 2.876 -5.528 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.843 3.906 -8.326 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.448 3.976 -7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.123 6.402 -8.380 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.957 8.341 -6.672 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.251 4.054 -4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.606 8.733 -3.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.442 5.263 -2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.624 7.575 -2.050 1.00 0.00 H new ATOM 831 N VAL A 54 -6.880 1.116 -6.584 1.00 0.00 N ATOM 832 CA VAL A 54 -7.634 -0.014 -7.093 1.00 0.00 C ATOM 833 C VAL A 54 -9.052 0.422 -7.452 1.00 0.00 C ATOM 834 O VAL A 54 -9.957 0.368 -6.620 1.00 0.00 O ATOM 835 CB VAL A 54 -7.663 -1.159 -6.054 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.689 -2.231 -6.417 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.279 -1.777 -5.912 1.00 0.00 C ATOM 0 H VAL A 54 -7.275 1.545 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.145 -0.385 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.963 -0.729 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.677 -3.017 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.682 -1.784 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.441 -2.658 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.313 -2.582 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.959 -2.177 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.572 -1.015 -5.583 1.00 0.00 H new ATOM 847 N ILE A 55 -9.228 0.866 -8.693 1.00 0.00 N ATOM 848 CA ILE A 55 -10.528 1.321 -9.167 1.00 0.00 C ATOM 849 C ILE A 55 -11.395 0.147 -9.591 1.00 0.00 C ATOM 850 O ILE A 55 -10.983 -0.693 -10.392 1.00 0.00 O ATOM 851 CB ILE A 55 -10.383 2.310 -10.341 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.500 3.490 -9.931 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.747 2.803 -10.802 1.00 0.00 C ATOM 854 CD1 ILE A 55 -8.536 3.929 -11.012 1.00 0.00 C ATOM 0 H ILE A 55 -8.484 0.920 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.011 1.836 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.910 1.790 -11.174 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.136 4.332 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.934 3.218 -9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.621 3.500 -11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.349 1.955 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.249 3.308 -9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.943 4.769 -10.651 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.875 3.101 -11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.095 4.233 -11.897 1.00 0.00 H new ATOM 866 N VAL A 56 -12.599 0.091 -9.037 1.00 0.00 N ATOM 867 CA VAL A 56 -13.523 -0.982 -9.345 1.00 0.00 C ATOM 868 C VAL A 56 -14.849 -0.452 -9.874 1.00 0.00 C ATOM 869 O VAL A 56 -15.156 0.734 -9.744 1.00 0.00 O ATOM 870 CB VAL A 56 -13.790 -1.863 -8.107 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.508 -2.543 -7.642 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.398 -1.034 -6.985 1.00 0.00 C ATOM 0 H VAL A 56 -12.955 0.778 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.051 -1.584 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.503 -2.639 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.719 -3.159 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.118 -3.171 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.768 -1.786 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.580 -1.671 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.710 -0.235 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.340 -0.602 -7.322 1.00 0.00 H new ATOM 882 N ASN A 57 -15.633 -1.348 -10.462 1.00 0.00 N ATOM 883 CA ASN A 57 -16.933 -0.984 -11.010 1.00 0.00 C ATOM 884 C ASN A 57 -18.022 -1.093 -9.949 1.00 0.00 C ATOM 885 O ASN A 57 -17.738 -1.307 -8.770 1.00 0.00 O ATOM 886 CB ASN A 57 -17.272 -1.874 -12.208 1.00 0.00 C ATOM 887 CG ASN A 57 -17.395 -3.337 -11.830 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.518 -3.681 -10.655 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.365 -4.210 -12.830 1.00 0.00 N ATOM 0 H ASN A 57 -15.390 -2.333 -10.571 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.883 0.053 -11.342 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.208 -1.537 -12.653 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.500 -1.763 -12.969 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.445 -5.209 -12.638 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.262 -3.882 -13.790 1.00 0.00 H new ATOM 896 N ASP A 58 -19.269 -0.930 -10.373 1.00 0.00 N ATOM 897 CA ASP A 58 -20.407 -0.995 -9.464 1.00 0.00 C ATOM 898 C ASP A 58 -20.483 -2.339 -8.740 1.00 0.00 C ATOM 899 O ASP A 58 -21.112 -2.445 -7.688 1.00 0.00 O ATOM 900 CB ASP A 58 -21.707 -0.754 -10.233 1.00 0.00 C ATOM 901 CG ASP A 58 -21.765 0.630 -10.851 1.00 0.00 C ATOM 902 OD1 ASP A 58 -20.828 0.987 -11.595 1.00 0.00 O ATOM 903 OD2 ASP A 58 -22.748 1.356 -10.590 1.00 0.00 O ATOM 0 H ASP A 58 -19.519 -0.751 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.270 -0.216 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.806 -1.504 -11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.554 -0.884 -9.559 1.00 0.00 H new ATOM 908 N HIS A 59 -19.862 -3.365 -9.312 1.00 0.00 N ATOM 909 CA HIS A 59 -19.890 -4.701 -8.715 1.00 0.00 C ATOM 910 C HIS A 59 -18.658 -4.975 -7.853 1.00 0.00 C ATOM 911 O HIS A 59 -18.604 -5.982 -7.147 1.00 0.00 O ATOM 912 CB HIS A 59 -20.006 -5.764 -9.810 1.00 0.00 C ATOM 913 CG HIS A 59 -21.416 -6.201 -10.060 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.764 -7.504 -10.345 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.574 -5.498 -10.057 1.00 0.00 C ATOM 916 CE1 HIS A 59 -23.072 -7.584 -10.507 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.587 -6.381 -10.336 1.00 0.00 N ATOM 0 H HIS A 59 -19.335 -3.301 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.763 -4.746 -8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.585 -5.371 -10.735 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.408 -6.631 -9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.680 -4.440 -9.870 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.626 -8.481 -10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.577 -6.146 -10.401 1.00 0.00 H new ATOM 926 N GLY A 60 -17.673 -4.082 -7.903 1.00 0.00 N ATOM 927 CA GLY A 60 -16.469 -4.271 -7.111 1.00 0.00 C ATOM 928 C GLY A 60 -15.360 -4.950 -7.892 1.00 0.00 C ATOM 929 O GLY A 60 -14.445 -5.534 -7.307 1.00 0.00 O ATOM 0 H GLY A 60 -17.686 -3.237 -8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.117 -3.303 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.707 -4.868 -6.231 1.00 0.00 H new ATOM 933 N VAL A 61 -15.437 -4.864 -9.216 1.00 0.00 N ATOM 934 CA VAL A 61 -14.435 -5.461 -10.084 1.00 0.00 C ATOM 935 C VAL A 61 -13.405 -4.415 -10.488 1.00 0.00 C ATOM 936 O VAL A 61 -13.753 -3.267 -10.734 1.00 0.00 O ATOM 937 CB VAL A 61 -15.078 -6.057 -11.352 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.047 -6.814 -12.170 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.245 -6.963 -10.986 1.00 0.00 C ATOM 0 H VAL A 61 -16.188 -4.383 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.950 -6.264 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.460 -5.237 -11.960 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.521 -7.227 -13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.248 -6.135 -12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.631 -7.625 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.685 -7.374 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.889 -7.777 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.997 -6.387 -10.446 1.00 0.00 H new ATOM 949 N VAL A 62 -12.136 -4.804 -10.542 1.00 0.00 N ATOM 950 CA VAL A 62 -11.079 -3.869 -10.913 1.00 0.00 C ATOM 951 C VAL A 62 -11.135 -3.552 -12.403 1.00 0.00 C ATOM 952 O VAL A 62 -10.883 -4.415 -13.243 1.00 0.00 O ATOM 953 CB VAL A 62 -9.684 -4.418 -10.561 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.611 -3.377 -10.848 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.637 -4.854 -9.105 1.00 0.00 C ATOM 0 H VAL A 62 -11.816 -5.750 -10.336 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.246 -2.956 -10.341 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.487 -5.289 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.632 -3.783 -10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.631 -3.116 -11.906 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.800 -2.485 -10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.644 -5.240 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.855 -4.001 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.378 -5.635 -8.935 1.00 0.00 H new ATOM 965 N THR A 63 -11.478 -2.309 -12.724 1.00 0.00 N ATOM 966 CA THR A 63 -11.578 -1.882 -14.114 1.00 0.00 C ATOM 967 C THR A 63 -10.285 -1.237 -14.596 1.00 0.00 C ATOM 968 O THR A 63 -9.932 -1.339 -15.772 1.00 0.00 O ATOM 969 CB THR A 63 -12.733 -0.898 -14.284 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.448 0.328 -13.633 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.047 -1.412 -13.736 1.00 0.00 C ATOM 0 H THR A 63 -11.691 -1.581 -12.042 1.00 0.00 H new ATOM 0 HA THR A 63 -11.763 -2.771 -14.717 1.00 0.00 H new ATOM 0 HB THR A 63 -12.836 -0.761 -15.360 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.199 0.945 -13.755 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.823 -0.663 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.322 -2.331 -14.253 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.943 -1.613 -12.670 1.00 0.00 H new ATOM 979 N SER A 64 -9.584 -0.565 -13.691 1.00 0.00 N ATOM 980 CA SER A 64 -8.338 0.101 -14.045 1.00 0.00 C ATOM 981 C SER A 64 -7.128 -0.721 -13.616 1.00 0.00 C ATOM 982 O SER A 64 -7.157 -1.401 -12.593 1.00 0.00 O ATOM 983 CB SER A 64 -8.277 1.492 -13.410 1.00 0.00 C ATOM 984 OG SER A 64 -7.232 2.266 -13.975 1.00 0.00 O ATOM 0 H SER A 64 -9.855 -0.467 -12.713 1.00 0.00 H new ATOM 0 HA SER A 64 -8.313 0.202 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.230 2.002 -13.553 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.124 1.398 -12.335 1.00 0.00 H new ATOM 0 HG SER A 64 -7.215 3.151 -13.554 1.00 0.00 H new ATOM 990 N VAL A 65 -6.065 -0.642 -14.408 1.00 0.00 N ATOM 991 CA VAL A 65 -4.830 -1.368 -14.133 1.00 0.00 C ATOM 992 C VAL A 65 -4.196 -0.917 -12.818 1.00 0.00 C ATOM 993 O VAL A 65 -3.534 0.120 -12.772 1.00 0.00 O ATOM 994 CB VAL A 65 -3.808 -1.156 -15.258 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.617 -2.084 -15.087 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.457 -1.345 -16.623 1.00 0.00 C ATOM 0 H VAL A 65 -6.034 -0.075 -15.256 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.095 -2.423 -14.064 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.446 -0.130 -15.199 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.906 -1.916 -15.896 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.134 -1.883 -14.131 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.956 -3.120 -15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.713 -1.190 -17.404 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.857 -2.356 -16.699 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.266 -0.625 -16.744 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.360 -1.693 -11.733 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.771 -1.351 -10.438 1.00 0.00 C ATOM 1008 C PRO A 66 -2.256 -1.210 -10.529 1.00 0.00 C ATOM 1009 O PRO A 66 -1.530 -2.198 -10.542 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.152 -2.528 -9.531 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.520 -3.631 -10.464 1.00 0.00 C ATOM 1012 CD PRO A 66 -5.098 -2.965 -11.679 1.00 0.00 C ATOM 0 HA PRO A 66 -4.133 -0.393 -10.065 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.320 -2.816 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.985 -2.269 -8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.647 -4.230 -10.725 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.244 -4.305 -10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.944 -3.561 -12.579 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.172 -2.806 -11.581 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.792 0.029 -10.611 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.374 0.319 -10.713 1.00 0.00 C ATOM 1021 C HIS A 67 0.056 1.332 -9.660 1.00 0.00 C ATOM 1022 O HIS A 67 -0.735 2.162 -9.213 1.00 0.00 O ATOM 1023 CB HIS A 67 -0.045 0.858 -12.107 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.714 2.164 -12.417 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.428 2.908 -13.544 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.659 2.863 -11.740 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.165 4.005 -13.544 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -1.920 4.001 -12.463 1.00 0.00 N ATOM 0 H HIS A 67 -2.388 0.857 -10.609 1.00 0.00 H new ATOM 0 HA HIS A 67 0.171 -0.609 -10.543 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.034 0.982 -12.194 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.342 0.121 -12.852 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.120 2.578 -10.806 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.151 4.775 -14.301 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.590 4.726 -12.205 1.00 0.00 H new ATOM 1037 N ILE A 68 1.323 1.262 -9.280 1.00 0.00 N ATOM 1038 CA ILE A 68 1.888 2.171 -8.297 1.00 0.00 C ATOM 1039 C ILE A 68 1.553 3.622 -8.655 1.00 0.00 C ATOM 1040 O ILE A 68 1.950 4.120 -9.709 1.00 0.00 O ATOM 1041 CB ILE A 68 3.423 1.963 -8.204 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.772 1.142 -6.963 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.176 3.284 -8.196 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.138 0.492 -7.030 1.00 0.00 C ATOM 0 H ILE A 68 1.985 0.576 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 68 1.450 1.956 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 68 3.735 1.416 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.729 1.788 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.017 0.368 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.247 3.092 -8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.961 3.831 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.860 3.878 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.317 -0.074 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.179 -0.181 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.902 1.262 -7.136 1.00 0.00 H new ATOM 1056 N THR A 69 0.799 4.287 -7.782 1.00 0.00 N ATOM 1057 CA THR A 69 0.400 5.673 -8.017 1.00 0.00 C ATOM 1058 C THR A 69 -0.022 6.349 -6.714 1.00 0.00 C ATOM 1059 O THR A 69 0.831 7.015 -6.092 1.00 0.00 O ATOM 1060 CB THR A 69 -0.742 5.723 -9.039 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.253 5.479 -10.346 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.481 7.046 -9.069 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.204 6.209 -6.331 1.00 0.00 O ATOM 0 H THR A 69 0.453 3.890 -6.908 1.00 0.00 H new ATOM 0 HA THR A 69 1.257 6.215 -8.415 1.00 0.00 H new ATOM 0 HB THR A 69 -1.440 4.949 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.700 5.254 -10.302 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.273 7.003 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.916 7.242 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.785 7.846 -9.323 1.00 0.00 H new TER 1071 THR A 69