USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.304 K(o=0.63,f=-3.8!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.325 K(o=0.63,f=-5.1!) USER MOD Set 2.1: A 44 MET CE :methyl -173:sc=-0.00134 (180deg=-0.108) USER MOD Set 2.2: A 55 MET CE :methyl -128:sc= 0 (180deg=-0.978) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.753 K(o=1.5,f=-1.9) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.764 K(o=1.5,f=-1.1) USER MOD Single : A 17 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-6.6!) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.978) USER MOD Single : A 25 GLN : amide:sc= 0.763 K(o=0.76,f=-0.71) USER MOD Single : A 28 SER OG : rot -83:sc= 1.34 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0.928) USER MOD Single : A 37 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.029) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.87) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -68:sc= 0.156 USER MOD Single : A 51 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.24) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 65 GLN : amide:sc= -0.0315 X(o=-0.031,f=-0.49) USER MOD Single : A 68 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 75 GLN : amide:sc= -0.001 K(o=-0.001,f=-1.1) USER MOD Single : A 78 MET CE :methyl -171:sc= -0.874 (180deg=-1.2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.687 K(o=-0.69,f=-1.6) USER MOD Single : A 90 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.7!) USER MOD Single : A 91 THR OG1 : rot -84:sc= 0.0942 USER MOD Single : B 196 THR OG1 : rot 42:sc=0.000174 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.665 14.047 -0.595 1.00 10.00 N ATOM 2 CA ASP A 16 9.441 14.613 -0.038 1.00 10.00 C ATOM 3 C ASP A 16 8.376 13.530 0.093 1.00 10.00 C ATOM 4 O ASP A 16 8.153 12.749 -0.837 1.00 10.00 O ATOM 5 CB ASP A 16 8.922 15.752 -0.926 1.00 10.00 C ATOM 6 CG ASP A 16 8.095 16.765 -0.158 1.00 10.00 C ATOM 7 OD1 ASP A 16 6.997 16.414 0.318 1.00 10.00 O ATOM 8 OD2 ASP A 16 8.536 17.927 -0.030 1.00 10.00 O ATOM 0 HA ASP A 16 9.665 15.015 0.950 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.768 16.258 -1.391 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.319 15.333 -1.731 1.00 10.00 H new ATOM 13 N HIS A 17 7.738 13.472 1.251 1.00 10.00 N ATOM 14 CA HIS A 17 6.699 12.485 1.502 1.00 10.00 C ATOM 15 C HIS A 17 5.340 13.030 1.091 1.00 10.00 C ATOM 16 O HIS A 17 4.899 14.066 1.592 1.00 10.00 O ATOM 17 CB HIS A 17 6.675 12.087 2.978 1.00 10.00 C ATOM 18 CG HIS A 17 7.530 10.900 3.290 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.532 10.960 4.230 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.489 9.651 2.765 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.075 9.753 4.254 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.477 8.934 3.385 1.00 10.00 N ATOM 0 H HIS A 17 7.922 14.099 2.034 1.00 10.00 H new ATOM 0 HA HIS A 17 6.921 11.600 0.906 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.008 12.933 3.580 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.648 11.872 3.271 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.810 9.292 2.006 1.00 10.00 H new ATOM 0 HE1 HIS A 17 9.896 9.467 4.894 1.00 10.00 H new ATOM 0 HE2 HIS A 17 8.712 7.956 3.215 1.00 10.00 H new ATOM 30 N ILE A 18 4.684 12.332 0.183 1.00 10.00 N ATOM 31 CA ILE A 18 3.378 12.745 -0.297 1.00 10.00 C ATOM 32 C ILE A 18 2.285 11.973 0.442 1.00 10.00 C ATOM 33 O ILE A 18 2.326 10.744 0.526 1.00 10.00 O ATOM 34 CB ILE A 18 3.260 12.552 -1.831 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.902 13.032 -2.344 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.499 11.100 -2.227 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.787 13.013 -3.854 1.00 10.00 C ATOM 0 H ILE A 18 5.036 11.473 -0.239 1.00 10.00 H new ATOM 0 HA ILE A 18 3.252 13.808 -0.093 1.00 10.00 H new ATOM 0 HB ILE A 18 4.035 13.160 -2.297 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.119 12.403 -1.920 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.725 14.046 -1.987 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.409 10.998 -3.309 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.499 10.798 -1.916 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.760 10.464 -1.740 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.798 13.366 -4.148 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.548 13.664 -4.285 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.932 11.996 -4.217 1.00 10.00 H new ATOM 49 N ASN A 19 1.332 12.697 1.009 1.00 10.00 N ATOM 50 CA ASN A 19 0.248 12.074 1.752 1.00 10.00 C ATOM 51 C ASN A 19 -0.931 11.765 0.845 1.00 10.00 C ATOM 52 O ASN A 19 -1.687 12.660 0.454 1.00 10.00 O ATOM 53 CB ASN A 19 -0.206 12.975 2.900 1.00 10.00 C ATOM 54 CG ASN A 19 0.553 12.702 4.183 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.703 11.553 4.605 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.036 13.756 4.815 1.00 10.00 N ATOM 0 H ASN A 19 1.287 13.715 0.969 1.00 10.00 H new ATOM 0 HA ASN A 19 0.625 11.137 2.162 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.070 14.018 2.615 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.272 12.829 3.073 1.00 10.00 H new ATOM 0 HD21 ASN A 19 1.555 13.636 5.685 1.00 10.00 H new ATOM 0 HD22 ASN A 19 0.891 14.691 4.433 1.00 10.00 H new ATOM 63 N LEU A 20 -1.076 10.497 0.509 1.00 10.00 N ATOM 64 CA LEU A 20 -2.168 10.051 -0.335 1.00 10.00 C ATOM 65 C LEU A 20 -3.229 9.381 0.525 1.00 10.00 C ATOM 66 O LEU A 20 -2.933 8.905 1.623 1.00 10.00 O ATOM 67 CB LEU A 20 -1.648 9.097 -1.411 1.00 10.00 C ATOM 68 CG LEU A 20 -0.626 9.709 -2.372 1.00 10.00 C ATOM 69 CD1 LEU A 20 0.002 8.633 -3.242 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.282 10.779 -3.234 1.00 10.00 C ATOM 0 H LEU A 20 -0.446 9.753 0.810 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.616 10.908 -0.837 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.195 8.234 -0.923 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.495 8.728 -1.990 1.00 10.00 H new ATOM 0 HG LEU A 20 0.164 10.176 -1.783 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.726 9.088 -3.918 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.506 7.902 -2.610 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.775 8.136 -3.823 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.542 11.204 -3.912 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.091 10.334 -3.813 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.683 11.566 -2.595 1.00 10.00 H new ATOM 82 N LYS A 21 -4.462 9.352 0.048 1.00 10.00 N ATOM 83 CA LYS A 21 -5.544 8.755 0.815 1.00 10.00 C ATOM 84 C LYS A 21 -6.235 7.636 0.051 1.00 10.00 C ATOM 85 O LYS A 21 -6.468 7.735 -1.157 1.00 10.00 O ATOM 86 CB LYS A 21 -6.575 9.819 1.197 1.00 10.00 C ATOM 87 CG LYS A 21 -5.989 10.998 1.954 1.00 10.00 C ATOM 88 CD LYS A 21 -7.030 12.078 2.179 1.00 10.00 C ATOM 89 CE LYS A 21 -6.424 13.306 2.831 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.410 14.412 2.952 1.00 10.00 N ATOM 0 H LYS A 21 -4.738 9.731 -0.858 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.101 8.328 1.715 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.058 10.185 0.291 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.351 9.357 1.807 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.599 10.660 2.914 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.148 11.410 1.396 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.480 12.355 1.226 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.830 11.688 2.808 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.049 13.044 3.820 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.569 13.644 2.245 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.933 15.265 3.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.825 14.611 2.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.163 14.135 3.614 1.00 10.00 H new ATOM 104 N VAL A 22 -6.543 6.567 0.764 1.00 10.00 N ATOM 105 CA VAL A 22 -7.243 5.431 0.192 1.00 10.00 C ATOM 106 C VAL A 22 -8.641 5.360 0.790 1.00 10.00 C ATOM 107 O VAL A 22 -8.797 5.227 2.007 1.00 10.00 O ATOM 108 CB VAL A 22 -6.487 4.107 0.451 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.361 2.899 0.148 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.217 4.059 -0.379 1.00 10.00 C ATOM 0 H VAL A 22 -6.316 6.462 1.753 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.303 5.567 -0.888 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.225 4.072 1.508 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.799 1.985 0.341 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.246 2.921 0.784 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.666 2.924 -0.898 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.693 3.122 -0.188 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.471 4.124 -1.437 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.574 4.896 -0.108 1.00 10.00 H new ATOM 120 N ALA A 23 -9.651 5.479 -0.058 1.00 10.00 N ATOM 121 CA ALA A 23 -11.030 5.443 0.396 1.00 10.00 C ATOM 122 C ALA A 23 -11.703 4.140 -0.004 1.00 10.00 C ATOM 123 O ALA A 23 -11.896 3.864 -1.191 1.00 10.00 O ATOM 124 CB ALA A 23 -11.801 6.633 -0.157 1.00 10.00 C ATOM 0 H ALA A 23 -9.540 5.601 -1.065 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.030 5.502 1.484 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.833 6.592 0.192 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.338 7.558 0.187 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.785 6.602 -1.246 1.00 10.00 H new ATOM 130 N GLY A 24 -12.045 3.336 0.990 1.00 10.00 N ATOM 131 CA GLY A 24 -12.701 2.074 0.727 1.00 10.00 C ATOM 132 C GLY A 24 -14.209 2.203 0.768 1.00 10.00 C ATOM 133 O GLY A 24 -14.734 3.226 1.210 1.00 10.00 O ATOM 0 H GLY A 24 -11.879 3.536 1.976 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.395 1.702 -0.251 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.379 1.337 1.463 1.00 10.00 H new ATOM 137 N GLN A 25 -14.904 1.165 0.319 1.00 10.00 N ATOM 138 CA GLN A 25 -16.365 1.161 0.299 1.00 10.00 C ATOM 139 C GLN A 25 -16.927 1.073 1.718 1.00 10.00 C ATOM 140 O GLN A 25 -18.086 1.407 1.965 1.00 10.00 O ATOM 141 CB GLN A 25 -16.875 -0.016 -0.541 1.00 10.00 C ATOM 142 CG GLN A 25 -16.284 -0.071 -1.943 1.00 10.00 C ATOM 143 CD GLN A 25 -16.780 1.055 -2.834 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.925 1.493 -2.722 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.921 1.532 -3.723 1.00 10.00 N ATOM 0 H GLN A 25 -14.478 0.310 -0.038 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.705 2.095 -0.148 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.645 -0.947 -0.023 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.961 0.047 -0.616 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.197 -0.024 -1.877 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.534 -1.028 -2.401 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.981 1.141 -3.784 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.200 2.290 -4.346 1.00 10.00 H new ATOM 154 N ASP A 26 -16.090 0.623 2.643 1.00 10.00 N ATOM 155 CA ASP A 26 -16.483 0.481 4.042 1.00 10.00 C ATOM 156 C ASP A 26 -16.513 1.834 4.748 1.00 10.00 C ATOM 157 O ASP A 26 -17.278 2.039 5.691 1.00 10.00 O ATOM 158 CB ASP A 26 -15.512 -0.456 4.764 1.00 10.00 C ATOM 159 CG ASP A 26 -15.746 -0.502 6.262 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.935 0.084 7.012 1.00 10.00 O ATOM 161 OD2 ASP A 26 -16.740 -1.117 6.693 1.00 10.00 O ATOM 0 H ASP A 26 -15.127 0.348 2.449 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.488 0.059 4.069 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -15.611 -1.461 4.354 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -14.489 -0.132 4.570 1.00 10.00 H new ATOM 166 N GLY A 27 -15.691 2.761 4.280 1.00 10.00 N ATOM 167 CA GLY A 27 -15.632 4.075 4.893 1.00 10.00 C ATOM 168 C GLY A 27 -14.330 4.283 5.636 1.00 10.00 C ATOM 169 O GLY A 27 -13.988 5.404 6.016 1.00 10.00 O ATOM 0 H GLY A 27 -15.063 2.629 3.487 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.740 4.841 4.125 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.468 4.194 5.582 1.00 10.00 H new ATOM 173 N SER A 28 -13.609 3.192 5.846 1.00 10.00 N ATOM 174 CA SER A 28 -12.326 3.228 6.527 1.00 10.00 C ATOM 175 C SER A 28 -11.300 3.943 5.652 1.00 10.00 C ATOM 176 O SER A 28 -11.060 3.540 4.511 1.00 10.00 O ATOM 177 CB SER A 28 -11.871 1.799 6.824 1.00 10.00 C ATOM 178 OG SER A 28 -12.625 0.865 6.061 1.00 10.00 O ATOM 0 H SER A 28 -13.897 2.259 5.550 1.00 10.00 H new ATOM 0 HA SER A 28 -12.422 3.772 7.467 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.811 1.694 6.593 1.00 10.00 H new ATOM 0 HB3 SER A 28 -11.988 1.588 7.887 1.00 10.00 H new ATOM 0 HG SER A 28 -13.475 0.684 6.513 1.00 10.00 H new ATOM 184 N VAL A 29 -10.721 5.014 6.171 1.00 10.00 N ATOM 185 CA VAL A 29 -9.735 5.776 5.423 1.00 10.00 C ATOM 186 C VAL A 29 -8.318 5.386 5.838 1.00 10.00 C ATOM 187 O VAL A 29 -8.021 5.234 7.027 1.00 10.00 O ATOM 188 CB VAL A 29 -9.950 7.303 5.600 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.922 7.697 7.069 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.917 8.098 4.810 1.00 10.00 C ATOM 0 H VAL A 29 -10.916 5.374 7.105 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.865 5.537 4.368 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.937 7.543 5.206 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.075 8.772 7.160 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.714 7.171 7.602 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.956 7.430 7.499 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.092 9.164 4.953 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.917 7.844 5.161 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.003 7.855 3.751 1.00 10.00 H new ATOM 200 N VAL A 30 -7.460 5.181 4.849 1.00 10.00 N ATOM 201 CA VAL A 30 -6.073 4.821 5.103 1.00 10.00 C ATOM 202 C VAL A 30 -5.144 5.867 4.498 1.00 10.00 C ATOM 203 O VAL A 30 -5.238 6.177 3.310 1.00 10.00 O ATOM 204 CB VAL A 30 -5.716 3.426 4.533 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.327 2.997 4.988 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.756 2.393 4.946 1.00 10.00 C ATOM 0 H VAL A 30 -7.701 5.258 3.861 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.943 4.783 6.185 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.714 3.495 3.445 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.097 2.014 4.576 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.590 3.719 4.637 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.299 2.950 6.077 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.486 1.420 4.535 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.794 2.330 6.033 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.734 2.689 4.566 1.00 10.00 H new ATOM 216 N GLN A 31 -4.276 6.429 5.328 1.00 10.00 N ATOM 217 CA GLN A 31 -3.328 7.434 4.885 1.00 10.00 C ATOM 218 C GLN A 31 -2.066 6.753 4.373 1.00 10.00 C ATOM 219 O GLN A 31 -1.355 6.083 5.128 1.00 10.00 O ATOM 220 CB GLN A 31 -2.994 8.387 6.033 1.00 10.00 C ATOM 221 CG GLN A 31 -2.315 9.671 5.583 1.00 10.00 C ATOM 222 CD GLN A 31 -2.220 10.694 6.698 1.00 10.00 C ATOM 223 OE1 GLN A 31 -3.073 10.747 7.587 1.00 10.00 O ATOM 224 NE2 GLN A 31 -1.181 11.505 6.662 1.00 10.00 N ATOM 0 H GLN A 31 -4.211 6.201 6.320 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.771 8.015 4.076 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.912 8.639 6.564 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.346 7.873 6.743 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.314 9.441 5.218 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.869 10.098 4.747 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.499 11.427 5.908 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -1.060 12.211 7.388 1.00 10.00 H new ATOM 233 N PHE A 32 -1.802 6.920 3.092 1.00 10.00 N ATOM 234 CA PHE A 32 -0.645 6.313 2.460 1.00 10.00 C ATOM 235 C PHE A 32 0.541 7.270 2.461 1.00 10.00 C ATOM 236 O PHE A 32 0.529 8.296 1.777 1.00 10.00 O ATOM 237 CB PHE A 32 -0.978 5.902 1.020 1.00 10.00 C ATOM 238 CG PHE A 32 -0.857 4.426 0.762 1.00 10.00 C ATOM 239 CD1 PHE A 32 -1.990 3.639 0.623 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.388 3.822 0.667 1.00 10.00 C ATOM 241 CE1 PHE A 32 -1.883 2.280 0.387 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.501 2.466 0.432 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.636 1.693 0.296 1.00 10.00 C ATOM 0 H PHE A 32 -2.379 7.477 2.462 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.376 5.426 3.033 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.995 6.219 0.789 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.315 6.435 0.338 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.967 4.092 0.700 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.280 4.420 0.778 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.773 1.679 0.274 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.477 2.010 0.355 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.550 0.631 0.119 1.00 10.00 H new ATOM 253 N LYS A 33 1.554 6.936 3.245 1.00 10.00 N ATOM 254 CA LYS A 33 2.764 7.737 3.315 1.00 10.00 C ATOM 255 C LYS A 33 3.807 7.124 2.396 1.00 10.00 C ATOM 256 O LYS A 33 4.395 6.089 2.714 1.00 10.00 O ATOM 257 CB LYS A 33 3.292 7.810 4.753 1.00 10.00 C ATOM 258 CG LYS A 33 4.666 8.456 4.865 1.00 10.00 C ATOM 259 CD LYS A 33 5.162 8.487 6.302 1.00 10.00 C ATOM 260 CE LYS A 33 6.668 8.288 6.373 1.00 10.00 C ATOM 261 NZ LYS A 33 7.215 8.652 7.705 1.00 10.00 N ATOM 0 H LYS A 33 1.561 6.111 3.845 1.00 10.00 H new ATOM 0 HA LYS A 33 2.542 8.755 2.996 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.585 8.372 5.363 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.339 6.802 5.166 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.377 7.907 4.247 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.622 9.472 4.474 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.897 9.440 6.759 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.663 7.708 6.878 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.907 7.247 6.155 1.00 10.00 H new ATOM 0 HE3 LYS A 33 7.150 8.893 5.605 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.244 8.502 7.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 7.010 9.652 7.903 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.774 8.057 8.436 1.00 10.00 H new ATOM 275 N ILE A 34 3.997 7.735 1.238 1.00 10.00 N ATOM 276 CA ILE A 34 4.955 7.233 0.263 1.00 10.00 C ATOM 277 C ILE A 34 5.778 8.383 -0.313 1.00 10.00 C ATOM 278 O ILE A 34 5.423 9.554 -0.150 1.00 10.00 O ATOM 279 CB ILE A 34 4.244 6.450 -0.883 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.141 7.289 -2.160 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.853 6.004 -0.451 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.453 6.579 -3.307 1.00 10.00 C ATOM 0 H ILE A 34 3.502 8.579 0.949 1.00 10.00 H new ATOM 0 HA ILE A 34 5.622 6.541 0.777 1.00 10.00 H new ATOM 0 HB ILE A 34 4.853 5.571 -1.097 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.599 8.208 -1.937 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.144 7.579 -2.474 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.376 5.460 -1.266 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.934 5.355 0.421 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.253 6.878 -0.198 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.419 7.238 -4.175 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.006 5.675 -3.559 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.438 6.313 -3.014 1.00 10.00 H new ATOM 294 N LYS A 35 6.885 8.055 -0.960 1.00 10.00 N ATOM 295 CA LYS A 35 7.733 9.070 -1.567 1.00 10.00 C ATOM 296 C LYS A 35 7.236 9.388 -2.977 1.00 10.00 C ATOM 297 O LYS A 35 6.632 8.541 -3.637 1.00 10.00 O ATOM 298 CB LYS A 35 9.189 8.605 -1.595 1.00 10.00 C ATOM 299 CG LYS A 35 9.777 8.384 -0.209 1.00 10.00 C ATOM 300 CD LYS A 35 11.086 9.134 -0.037 1.00 10.00 C ATOM 301 CE LYS A 35 11.594 9.055 1.392 1.00 10.00 C ATOM 302 NZ LYS A 35 11.873 7.659 1.814 1.00 10.00 N ATOM 0 H LYS A 35 7.217 7.098 -1.078 1.00 10.00 H new ATOM 0 HA LYS A 35 7.682 9.979 -0.967 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.256 7.677 -2.163 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.790 9.346 -2.123 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.065 8.714 0.547 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.942 7.319 -0.048 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.834 8.720 -0.713 1.00 10.00 H new ATOM 0 HD3 LYS A 35 10.947 10.178 -0.317 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.503 9.649 1.486 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.856 9.494 2.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.403 7.666 2.709 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 10.976 7.151 1.947 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 12.437 7.181 1.082 1.00 10.00 H new ATOM 316 N ARG A 36 7.511 10.597 -3.449 1.00 10.00 N ATOM 317 CA ARG A 36 7.056 11.035 -4.770 1.00 10.00 C ATOM 318 C ARG A 36 7.775 10.304 -5.911 1.00 10.00 C ATOM 319 O ARG A 36 7.439 10.486 -7.081 1.00 10.00 O ATOM 320 CB ARG A 36 7.221 12.551 -4.906 1.00 10.00 C ATOM 321 CG ARG A 36 6.436 13.325 -3.857 1.00 10.00 C ATOM 322 CD ARG A 36 6.626 14.827 -3.993 1.00 10.00 C ATOM 323 NE ARG A 36 5.931 15.366 -5.161 1.00 10.00 N ATOM 324 CZ ARG A 36 4.812 16.093 -5.099 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.246 16.372 -3.931 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.262 16.555 -6.213 1.00 10.00 N ATOM 0 H ARG A 36 8.049 11.297 -2.938 1.00 10.00 H new ATOM 0 HA ARG A 36 6.000 10.780 -4.853 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.278 12.806 -4.824 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.895 12.860 -5.899 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.377 13.084 -3.947 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.751 13.009 -2.863 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.259 15.321 -3.093 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.690 15.052 -4.069 1.00 10.00 H new ATOM 0 HE ARG A 36 6.326 15.175 -6.082 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.666 16.030 -3.066 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.392 16.928 -3.898 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.693 16.355 -7.116 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.408 17.110 -6.168 1.00 10.00 H new ATOM 340 N HIS A 37 8.761 9.483 -5.574 1.00 10.00 N ATOM 341 CA HIS A 37 9.490 8.717 -6.583 1.00 10.00 C ATOM 342 C HIS A 37 9.311 7.216 -6.336 1.00 10.00 C ATOM 343 O HIS A 37 10.017 6.384 -6.903 1.00 10.00 O ATOM 344 CB HIS A 37 10.979 9.108 -6.603 1.00 10.00 C ATOM 345 CG HIS A 37 11.807 8.526 -5.492 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.788 7.596 -5.743 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.765 8.771 -4.161 1.00 10.00 C ATOM 348 CE1 HIS A 37 13.321 7.302 -4.571 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.733 7.992 -3.585 1.00 10.00 N ATOM 0 H HIS A 37 9.075 9.329 -4.616 1.00 10.00 H new ATOM 0 HA HIS A 37 9.079 8.953 -7.564 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.407 8.797 -7.556 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.054 10.195 -6.560 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.097 9.450 -3.652 1.00 10.00 H new ATOM 0 HE1 HIS A 37 14.126 6.597 -4.426 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.963 7.946 -2.592 1.00 10.00 H new ATOM 357 N THR A 38 8.345 6.887 -5.493 1.00 10.00 N ATOM 358 CA THR A 38 8.050 5.504 -5.152 1.00 10.00 C ATOM 359 C THR A 38 6.914 4.957 -6.022 1.00 10.00 C ATOM 360 O THR A 38 5.840 5.557 -6.092 1.00 10.00 O ATOM 361 CB THR A 38 7.679 5.391 -3.658 1.00 10.00 C ATOM 362 OG1 THR A 38 8.842 5.632 -2.855 1.00 10.00 O ATOM 363 CG2 THR A 38 7.098 4.026 -3.318 1.00 10.00 C ATOM 0 H THR A 38 7.745 7.568 -5.027 1.00 10.00 H new ATOM 0 HA THR A 38 8.943 4.908 -5.342 1.00 10.00 H new ATOM 0 HB THR A 38 6.915 6.139 -3.448 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.605 5.562 -1.907 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.851 3.990 -2.257 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.196 3.858 -3.907 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.830 3.252 -3.547 1.00 10.00 H new ATOM 371 N PRO A 39 7.149 3.826 -6.719 1.00 10.00 N ATOM 372 CA PRO A 39 6.137 3.193 -7.581 1.00 10.00 C ATOM 373 C PRO A 39 4.827 2.915 -6.848 1.00 10.00 C ATOM 374 O PRO A 39 4.822 2.562 -5.664 1.00 10.00 O ATOM 375 CB PRO A 39 6.800 1.884 -8.008 1.00 10.00 C ATOM 376 CG PRO A 39 8.260 2.145 -7.900 1.00 10.00 C ATOM 377 CD PRO A 39 8.427 3.089 -6.743 1.00 10.00 C ATOM 0 HA PRO A 39 5.858 3.838 -8.414 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.497 1.059 -7.364 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.521 1.613 -9.026 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.810 1.219 -7.731 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.647 2.583 -8.820 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.600 2.554 -5.809 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.275 3.758 -6.889 1.00 10.00 H new ATOM 385 N LEU A 40 3.718 3.054 -7.568 1.00 10.00 N ATOM 386 CA LEU A 40 2.393 2.841 -6.996 1.00 10.00 C ATOM 387 C LEU A 40 2.054 1.356 -6.892 1.00 10.00 C ATOM 388 O LEU A 40 0.985 0.990 -6.404 1.00 10.00 O ATOM 389 CB LEU A 40 1.339 3.561 -7.841 1.00 10.00 C ATOM 390 CG LEU A 40 1.500 5.079 -7.929 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.511 5.661 -8.923 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.320 5.722 -6.562 1.00 10.00 C ATOM 0 H LEU A 40 3.711 3.315 -8.554 1.00 10.00 H new ATOM 0 HA LEU A 40 2.396 3.252 -5.986 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.363 3.150 -8.850 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.354 3.339 -7.430 1.00 10.00 H new ATOM 0 HG LEU A 40 2.510 5.295 -8.277 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.639 6.742 -8.973 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.688 5.228 -9.908 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.505 5.431 -8.603 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.439 6.802 -6.649 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.324 5.496 -6.182 1.00 10.00 H new ATOM 0 HD23 LEU A 40 2.068 5.329 -5.874 1.00 10.00 H new ATOM 404 N SER A 41 2.963 0.505 -7.350 1.00 10.00 N ATOM 405 CA SER A 41 2.758 -0.934 -7.296 1.00 10.00 C ATOM 406 C SER A 41 2.617 -1.396 -5.847 1.00 10.00 C ATOM 407 O SER A 41 1.781 -2.243 -5.530 1.00 10.00 O ATOM 408 CB SER A 41 3.929 -1.644 -7.974 1.00 10.00 C ATOM 409 OG SER A 41 5.081 -0.814 -7.968 1.00 10.00 O ATOM 0 H SER A 41 3.851 0.789 -7.764 1.00 10.00 H new ATOM 0 HA SER A 41 1.838 -1.185 -7.824 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.144 -2.579 -7.457 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.663 -1.900 -8.999 1.00 10.00 H new ATOM 0 HG SER A 41 5.824 -1.282 -8.404 1.00 10.00 H new ATOM 415 N LYS A 42 3.421 -0.808 -4.966 1.00 10.00 N ATOM 416 CA LYS A 42 3.376 -1.156 -3.553 1.00 10.00 C ATOM 417 C LYS A 42 2.075 -0.667 -2.932 1.00 10.00 C ATOM 418 O LYS A 42 1.531 -1.301 -2.039 1.00 10.00 O ATOM 419 CB LYS A 42 4.560 -0.557 -2.783 1.00 10.00 C ATOM 420 CG LYS A 42 5.706 -0.069 -3.653 1.00 10.00 C ATOM 421 CD LYS A 42 6.793 0.603 -2.824 1.00 10.00 C ATOM 422 CE LYS A 42 7.533 -0.390 -1.938 1.00 10.00 C ATOM 423 NZ LYS A 42 8.319 -1.371 -2.732 1.00 10.00 N ATOM 0 H LYS A 42 4.107 -0.092 -5.205 1.00 10.00 H new ATOM 0 HA LYS A 42 3.435 -2.242 -3.484 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.199 0.277 -2.181 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.942 -1.308 -2.091 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.132 -0.910 -4.200 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.327 0.634 -4.395 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.503 1.095 -3.489 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.347 1.380 -2.203 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.201 0.151 -1.267 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.816 -0.922 -1.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.019 -1.833 -2.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.679 -2.089 -3.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.809 -0.878 -3.506 1.00 10.00 H new ATOM 437 N LEU A 43 1.573 0.454 -3.432 1.00 10.00 N ATOM 438 CA LEU A 43 0.338 1.042 -2.921 1.00 10.00 C ATOM 439 C LEU A 43 -0.845 0.104 -3.139 1.00 10.00 C ATOM 440 O LEU A 43 -1.741 0.011 -2.301 1.00 10.00 O ATOM 441 CB LEU A 43 0.084 2.392 -3.608 1.00 10.00 C ATOM 442 CG LEU A 43 -0.722 3.410 -2.793 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.271 4.824 -3.116 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.212 3.260 -3.063 1.00 10.00 C ATOM 0 H LEU A 43 2.003 0.978 -4.194 1.00 10.00 H new ATOM 0 HA LEU A 43 0.447 1.200 -1.848 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.046 2.837 -3.861 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.440 2.209 -4.546 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.542 3.217 -1.735 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -0.853 5.535 -2.529 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.786 4.933 -2.874 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.422 5.021 -4.177 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.764 3.992 -2.474 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.408 3.424 -4.123 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.533 2.256 -2.786 1.00 10.00 H new ATOM 456 N MET A 44 -0.829 -0.605 -4.255 1.00 10.00 N ATOM 457 CA MET A 44 -1.912 -1.525 -4.585 1.00 10.00 C ATOM 458 C MET A 44 -1.756 -2.863 -3.870 1.00 10.00 C ATOM 459 O MET A 44 -2.744 -3.514 -3.548 1.00 10.00 O ATOM 460 CB MET A 44 -1.973 -1.756 -6.097 1.00 10.00 C ATOM 461 CG MET A 44 -2.305 -0.506 -6.893 1.00 10.00 C ATOM 462 SD MET A 44 -2.788 -0.869 -8.594 1.00 10.00 S ATOM 463 CE MET A 44 -1.276 -1.588 -9.229 1.00 10.00 C ATOM 0 H MET A 44 -0.082 -0.564 -4.948 1.00 10.00 H new ATOM 0 HA MET A 44 -2.841 -1.066 -4.247 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.013 -2.147 -6.435 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.721 -2.520 -6.309 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.114 0.031 -6.397 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.439 0.156 -6.899 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.373 -1.750 -10.302 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.443 -0.911 -9.038 1.00 10.00 H new ATOM 0 HE3 MET A 44 -1.090 -2.541 -8.733 1.00 10.00 H new ATOM 473 N LYS A 45 -0.520 -3.262 -3.602 1.00 10.00 N ATOM 474 CA LYS A 45 -0.265 -4.548 -2.959 1.00 10.00 C ATOM 475 C LYS A 45 -0.233 -4.466 -1.433 1.00 10.00 C ATOM 476 O LYS A 45 -0.762 -5.348 -0.760 1.00 10.00 O ATOM 477 CB LYS A 45 1.044 -5.141 -3.476 1.00 10.00 C ATOM 478 CG LYS A 45 0.971 -5.551 -4.938 1.00 10.00 C ATOM 479 CD LYS A 45 2.167 -6.389 -5.350 1.00 10.00 C ATOM 480 CE LYS A 45 3.427 -5.551 -5.494 1.00 10.00 C ATOM 481 NZ LYS A 45 4.521 -6.314 -6.143 1.00 10.00 N ATOM 0 H LYS A 45 0.317 -2.720 -3.817 1.00 10.00 H new ATOM 0 HA LYS A 45 -1.101 -5.197 -3.220 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.843 -4.411 -3.348 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.307 -6.010 -2.873 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.055 -6.115 -5.112 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.919 -4.660 -5.563 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.334 -7.171 -4.609 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.952 -6.887 -6.296 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.206 -4.660 -6.082 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.753 -5.212 -4.511 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.364 -5.711 -6.224 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.748 -7.151 -5.569 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.219 -6.616 -7.091 1.00 10.00 H new ATOM 495 N ALA A 46 0.371 -3.416 -0.890 1.00 10.00 N ATOM 496 CA ALA A 46 0.480 -3.260 0.561 1.00 10.00 C ATOM 497 C ALA A 46 -0.892 -3.275 1.238 1.00 10.00 C ATOM 498 O ALA A 46 -1.111 -4.022 2.193 1.00 10.00 O ATOM 499 CB ALA A 46 1.238 -1.989 0.911 1.00 10.00 C ATOM 0 H ALA A 46 0.793 -2.660 -1.429 1.00 10.00 H new ATOM 0 HA ALA A 46 1.041 -4.114 0.940 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.307 -1.893 1.995 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.241 -2.035 0.486 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.710 -1.127 0.504 1.00 10.00 H new ATOM 505 N TYR A 47 -1.815 -2.464 0.736 1.00 10.00 N ATOM 506 CA TYR A 47 -3.159 -2.404 1.304 1.00 10.00 C ATOM 507 C TYR A 47 -3.923 -3.691 0.999 1.00 10.00 C ATOM 508 O TYR A 47 -4.743 -4.144 1.800 1.00 10.00 O ATOM 509 CB TYR A 47 -3.916 -1.183 0.767 1.00 10.00 C ATOM 510 CG TYR A 47 -5.363 -1.099 1.223 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.408 -1.262 0.319 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.682 -0.858 2.555 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.728 -1.187 0.726 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.999 -0.783 2.970 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.020 -0.948 2.053 1.00 10.00 C ATOM 516 OH TYR A 47 -9.336 -0.875 2.465 1.00 10.00 O ATOM 0 H TYR A 47 -1.661 -1.842 -0.058 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.074 -2.303 2.386 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.394 -0.279 1.081 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.890 -1.204 -0.323 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.184 -1.451 -0.721 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.889 -0.727 3.276 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.525 -1.315 0.009 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.229 -0.596 4.008 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.368 -0.702 3.429 1.00 10.00 H new ATOM 526 N CYS A 48 -3.630 -4.290 -0.148 1.00 10.00 N ATOM 527 CA CYS A 48 -4.281 -5.528 -0.557 1.00 10.00 C ATOM 528 C CYS A 48 -3.921 -6.657 0.401 1.00 10.00 C ATOM 529 O CYS A 48 -4.786 -7.430 0.820 1.00 10.00 O ATOM 530 CB CYS A 48 -3.864 -5.901 -1.978 1.00 10.00 C ATOM 531 SG CYS A 48 -4.853 -7.219 -2.712 1.00 10.00 S ATOM 0 H CYS A 48 -2.943 -3.937 -0.814 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.360 -5.375 -0.533 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.932 -5.015 -2.610 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.818 -6.207 -1.970 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.611 -8.338 -2.095 1.00 10.00 H new ATOM 537 N GLU A 49 -2.641 -6.740 0.747 1.00 10.00 N ATOM 538 CA GLU A 49 -2.156 -7.756 1.665 1.00 10.00 C ATOM 539 C GLU A 49 -2.756 -7.536 3.050 1.00 10.00 C ATOM 540 O GLU A 49 -3.074 -8.490 3.758 1.00 10.00 O ATOM 541 CB GLU A 49 -0.629 -7.726 1.739 1.00 10.00 C ATOM 542 CG GLU A 49 0.056 -8.158 0.449 1.00 10.00 C ATOM 543 CD GLU A 49 -0.127 -9.632 0.149 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.149 -10.462 1.037 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.528 -9.970 -0.987 1.00 10.00 O ATOM 0 H GLU A 49 -1.918 -6.109 0.401 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.464 -8.735 1.297 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.306 -6.716 1.990 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.301 -8.377 2.550 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.340 -7.572 -0.380 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.121 -7.936 0.517 1.00 10.00 H new ATOM 552 N ARG A 50 -2.926 -6.267 3.420 1.00 10.00 N ATOM 553 CA ARG A 50 -3.510 -5.922 4.712 1.00 10.00 C ATOM 554 C ARG A 50 -4.931 -6.463 4.806 1.00 10.00 C ATOM 555 O ARG A 50 -5.361 -6.934 5.858 1.00 10.00 O ATOM 556 CB ARG A 50 -3.520 -4.406 4.924 1.00 10.00 C ATOM 557 CG ARG A 50 -2.254 -3.866 5.570 1.00 10.00 C ATOM 558 CD ARG A 50 -2.434 -2.426 6.026 1.00 10.00 C ATOM 559 NE ARG A 50 -1.271 -1.929 6.763 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.258 -0.793 7.460 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.342 -0.029 7.518 1.00 10.00 N ATOM 562 NH2 ARG A 50 -0.157 -0.415 8.096 1.00 10.00 N ATOM 0 H ARG A 50 -2.668 -5.465 2.845 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.897 -6.375 5.491 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.663 -3.915 3.961 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.375 -4.142 5.546 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.985 -4.489 6.423 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.429 -3.924 4.861 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.610 -1.791 5.158 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.320 -2.355 6.658 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.417 -2.487 6.742 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.191 -0.310 7.028 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.326 0.839 8.053 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.682 -0.994 8.052 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -0.149 0.455 8.629 1.00 10.00 H new ATOM 576 N GLN A 51 -5.653 -6.406 3.692 1.00 10.00 N ATOM 577 CA GLN A 51 -7.025 -6.899 3.645 1.00 10.00 C ATOM 578 C GLN A 51 -7.044 -8.420 3.503 1.00 10.00 C ATOM 579 O GLN A 51 -8.042 -9.069 3.817 1.00 10.00 O ATOM 580 CB GLN A 51 -7.795 -6.246 2.494 1.00 10.00 C ATOM 581 CG GLN A 51 -7.897 -4.731 2.612 1.00 10.00 C ATOM 582 CD GLN A 51 -8.422 -4.278 3.962 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.651 -4.071 4.902 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.730 -4.113 4.070 1.00 10.00 N ATOM 0 H GLN A 51 -5.311 -6.024 2.810 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.515 -6.633 4.581 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.306 -6.497 1.552 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.799 -6.668 2.454 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.914 -4.291 2.444 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.553 -4.354 1.827 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.335 -4.295 3.269 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.134 -3.804 4.954 1.00 10.00 H new ATOM 593 N GLY A 52 -5.934 -8.978 3.036 1.00 10.00 N ATOM 594 CA GLY A 52 -5.826 -10.417 2.873 1.00 10.00 C ATOM 595 C GLY A 52 -6.504 -10.913 1.616 1.00 10.00 C ATOM 596 O GLY A 52 -7.043 -12.022 1.587 1.00 10.00 O ATOM 0 H GLY A 52 -5.101 -8.456 2.765 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.773 -10.698 2.848 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.268 -10.911 3.739 1.00 10.00 H new ATOM 600 N LEU A 53 -6.479 -10.096 0.576 1.00 10.00 N ATOM 601 CA LEU A 53 -7.100 -10.457 -0.688 1.00 10.00 C ATOM 602 C LEU A 53 -6.078 -10.415 -1.818 1.00 10.00 C ATOM 603 O LEU A 53 -4.934 -10.000 -1.617 1.00 10.00 O ATOM 604 CB LEU A 53 -8.261 -9.509 -1.000 1.00 10.00 C ATOM 605 CG LEU A 53 -9.371 -9.461 0.055 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.385 -8.379 -0.285 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.057 -10.815 0.174 1.00 10.00 C ATOM 0 H LEU A 53 -6.035 -9.178 0.582 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.485 -11.473 -0.602 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.862 -8.503 -1.129 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.701 -9.802 -1.953 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.918 -9.219 1.017 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.166 -8.360 0.475 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.886 -7.410 -0.317 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.831 -8.590 -1.257 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.842 -10.760 0.928 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.495 -11.087 -0.786 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.326 -11.569 0.466 1.00 10.00 H new ATOM 619 N SER A 54 -6.492 -10.845 -2.999 1.00 10.00 N ATOM 620 CA SER A 54 -5.616 -10.849 -4.160 1.00 10.00 C ATOM 621 C SER A 54 -5.730 -9.528 -4.909 1.00 10.00 C ATOM 622 O SER A 54 -6.820 -8.959 -5.018 1.00 10.00 O ATOM 623 CB SER A 54 -5.973 -12.013 -5.087 1.00 10.00 C ATOM 624 OG SER A 54 -5.246 -11.953 -6.302 1.00 10.00 O ATOM 0 H SER A 54 -7.432 -11.197 -3.179 1.00 10.00 H new ATOM 0 HA SER A 54 -4.587 -10.973 -3.822 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.765 -12.957 -4.584 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.042 -11.995 -5.300 1.00 10.00 H new ATOM 0 HG SER A 54 -5.496 -12.711 -6.871 1.00 10.00 H new ATOM 630 N MET A 55 -4.609 -9.048 -5.439 1.00 10.00 N ATOM 631 CA MET A 55 -4.588 -7.789 -6.175 1.00 10.00 C ATOM 632 C MET A 55 -5.400 -7.910 -7.461 1.00 10.00 C ATOM 633 O MET A 55 -5.826 -6.911 -8.035 1.00 10.00 O ATOM 634 CB MET A 55 -3.152 -7.374 -6.498 1.00 10.00 C ATOM 635 CG MET A 55 -2.957 -5.866 -6.557 1.00 10.00 C ATOM 636 SD MET A 55 -1.494 -5.395 -7.501 1.00 10.00 S ATOM 637 CE MET A 55 -2.092 -5.634 -9.174 1.00 10.00 C ATOM 0 H MET A 55 -3.703 -9.512 -5.372 1.00 10.00 H new ATOM 0 HA MET A 55 -5.037 -7.021 -5.546 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.483 -7.790 -5.744 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.863 -7.808 -7.455 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.838 -5.406 -7.005 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.873 -5.474 -5.543 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.394 -6.266 -9.723 1.00 10.00 H new ATOM 0 HE2 MET A 55 -3.071 -6.113 -9.146 1.00 10.00 H new ATOM 0 HE3 MET A 55 -2.176 -4.668 -9.672 1.00 10.00 H new ATOM 647 N ARG A 56 -5.624 -9.144 -7.899 1.00 10.00 N ATOM 648 CA ARG A 56 -6.394 -9.397 -9.108 1.00 10.00 C ATOM 649 C ARG A 56 -7.890 -9.373 -8.810 1.00 10.00 C ATOM 650 O ARG A 56 -8.711 -9.354 -9.725 1.00 10.00 O ATOM 651 CB ARG A 56 -6.006 -10.741 -9.728 1.00 10.00 C ATOM 652 CG ARG A 56 -4.913 -10.633 -10.780 1.00 10.00 C ATOM 653 CD ARG A 56 -4.636 -11.975 -11.439 1.00 10.00 C ATOM 654 NE ARG A 56 -5.799 -12.494 -12.162 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.723 -13.338 -13.193 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.539 -13.762 -13.628 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.829 -13.758 -13.795 1.00 10.00 N ATOM 0 H ARG A 56 -5.282 -9.985 -7.433 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.166 -8.605 -9.822 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.673 -11.414 -8.938 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.890 -11.192 -10.179 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -5.208 -9.908 -11.539 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -3.999 -10.258 -10.319 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -3.799 -11.871 -12.130 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -4.334 -12.695 -10.678 1.00 10.00 H new ATOM 0 HE ARG A 56 -6.725 -12.192 -11.859 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.684 -13.442 -13.173 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.486 -14.407 -14.416 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.740 -13.436 -13.470 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.767 -14.403 -14.583 1.00 10.00 H new ATOM 671 N GLN A 57 -8.241 -9.359 -7.531 1.00 10.00 N ATOM 672 CA GLN A 57 -9.642 -9.336 -7.126 1.00 10.00 C ATOM 673 C GLN A 57 -10.146 -7.902 -6.995 1.00 10.00 C ATOM 674 O GLN A 57 -11.334 -7.633 -7.159 1.00 10.00 O ATOM 675 CB GLN A 57 -9.831 -10.073 -5.796 1.00 10.00 C ATOM 676 CG GLN A 57 -11.254 -10.001 -5.259 1.00 10.00 C ATOM 677 CD GLN A 57 -11.338 -10.313 -3.782 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.546 -11.096 -3.254 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.299 -9.706 -3.104 1.00 10.00 N ATOM 0 H GLN A 57 -7.577 -9.363 -6.757 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.221 -9.842 -7.898 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.553 -11.119 -5.926 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.150 -9.652 -5.056 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.655 -9.004 -5.439 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.882 -10.701 -5.810 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.933 -9.065 -3.581 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.406 -9.879 -2.104 1.00 10.00 H new ATOM 688 N ILE A 58 -9.241 -6.982 -6.705 1.00 10.00 N ATOM 689 CA ILE A 58 -9.617 -5.586 -6.542 1.00 10.00 C ATOM 690 C ILE A 58 -9.044 -4.728 -7.664 1.00 10.00 C ATOM 691 O ILE A 58 -8.227 -5.195 -8.456 1.00 10.00 O ATOM 692 CB ILE A 58 -9.160 -5.033 -5.175 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.652 -5.225 -4.990 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.929 -5.711 -4.049 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.139 -4.722 -3.658 1.00 10.00 C ATOM 0 H ILE A 58 -8.247 -7.174 -6.578 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.705 -5.541 -6.586 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.371 -3.964 -5.146 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.414 -6.284 -5.086 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.127 -4.707 -5.792 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.597 -5.312 -3.090 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.995 -5.522 -4.171 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.745 -6.785 -4.078 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.064 -4.890 -3.595 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.346 -3.656 -3.568 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.638 -5.258 -2.850 1.00 10.00 H new ATOM 707 N ARG A 59 -9.503 -3.488 -7.744 1.00 10.00 N ATOM 708 CA ARG A 59 -9.043 -2.554 -8.763 1.00 10.00 C ATOM 709 C ARG A 59 -8.885 -1.168 -8.160 1.00 10.00 C ATOM 710 O ARG A 59 -9.674 -0.766 -7.304 1.00 10.00 O ATOM 711 CB ARG A 59 -10.027 -2.484 -9.936 1.00 10.00 C ATOM 712 CG ARG A 59 -10.107 -3.757 -10.763 1.00 10.00 C ATOM 713 CD ARG A 59 -8.777 -4.084 -11.426 1.00 10.00 C ATOM 714 NE ARG A 59 -8.895 -5.226 -12.329 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.803 -6.498 -11.940 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.584 -6.791 -10.664 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.927 -7.475 -12.827 1.00 10.00 N ATOM 0 H ARG A 59 -10.201 -3.102 -7.109 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.082 -2.910 -9.135 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.020 -2.253 -9.549 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.739 -1.659 -10.588 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.409 -4.587 -10.124 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -10.877 -3.647 -11.527 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.423 -3.215 -11.981 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.031 -4.299 -10.661 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.058 -5.039 -13.318 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.486 -6.042 -9.978 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.514 -7.765 -10.369 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.093 -7.254 -13.809 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.856 -8.448 -12.528 1.00 10.00 H new ATOM 731 N PHE A 60 -7.869 -0.445 -8.595 1.00 10.00 N ATOM 732 CA PHE A 60 -7.626 0.895 -8.094 1.00 10.00 C ATOM 733 C PHE A 60 -7.741 1.905 -9.226 1.00 10.00 C ATOM 734 O PHE A 60 -7.201 1.695 -10.315 1.00 10.00 O ATOM 735 CB PHE A 60 -6.247 0.978 -7.442 1.00 10.00 C ATOM 736 CG PHE A 60 -6.125 0.169 -6.181 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.717 -1.152 -6.228 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.419 0.734 -4.950 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.601 -1.894 -5.070 1.00 10.00 C ATOM 740 CE2 PHE A 60 -6.305 -0.005 -3.788 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.897 -1.321 -3.848 1.00 10.00 C ATOM 0 H PHE A 60 -7.199 -0.764 -9.295 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.377 1.129 -7.340 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.497 0.638 -8.155 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.023 2.021 -7.217 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.487 -1.607 -7.180 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.741 1.764 -4.898 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.279 -2.924 -5.119 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -6.535 0.447 -2.835 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.809 -1.902 -2.942 1.00 10.00 H new ATOM 751 N ARG A 61 -8.453 2.993 -8.975 1.00 10.00 N ATOM 752 CA ARG A 61 -8.641 4.021 -9.987 1.00 10.00 C ATOM 753 C ARG A 61 -8.310 5.404 -9.446 1.00 10.00 C ATOM 754 O ARG A 61 -8.650 5.739 -8.309 1.00 10.00 O ATOM 755 CB ARG A 61 -10.080 4.003 -10.517 1.00 10.00 C ATOM 756 CG ARG A 61 -10.359 2.867 -11.486 1.00 10.00 C ATOM 757 CD ARG A 61 -11.717 3.021 -12.153 1.00 10.00 C ATOM 758 NE ARG A 61 -11.892 2.083 -13.262 1.00 10.00 N ATOM 759 CZ ARG A 61 -12.836 2.204 -14.197 1.00 10.00 C ATOM 760 NH1 ARG A 61 -13.694 3.217 -14.156 1.00 10.00 N ATOM 761 NH2 ARG A 61 -12.918 1.315 -15.177 1.00 10.00 N ATOM 0 H ARG A 61 -8.908 3.187 -8.083 1.00 10.00 H new ATOM 0 HA ARG A 61 -7.955 3.800 -10.805 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.767 3.927 -9.674 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.287 4.951 -11.013 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.580 2.838 -12.248 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.320 1.916 -10.954 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.503 2.861 -11.415 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.827 4.041 -12.520 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.254 1.289 -13.324 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -13.633 3.907 -13.407 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -14.414 3.305 -14.873 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -12.259 0.537 -15.217 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -13.640 1.408 -15.891 1.00 10.00 H new ATOM 775 N PHE A 62 -7.637 6.191 -10.271 1.00 10.00 N ATOM 776 CA PHE A 62 -7.266 7.548 -9.917 1.00 10.00 C ATOM 777 C PHE A 62 -7.659 8.476 -11.053 1.00 10.00 C ATOM 778 O PHE A 62 -7.346 8.203 -12.214 1.00 10.00 O ATOM 779 CB PHE A 62 -5.763 7.656 -9.638 1.00 10.00 C ATOM 780 CG PHE A 62 -5.298 9.066 -9.408 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.591 9.720 -8.221 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.580 9.741 -10.381 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.173 11.018 -8.009 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.160 11.039 -10.174 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.458 11.680 -8.986 1.00 10.00 C ATOM 0 H PHE A 62 -7.334 5.906 -11.202 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.791 7.834 -9.005 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.519 7.054 -8.763 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.214 7.233 -10.479 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.153 9.208 -7.454 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.346 9.246 -11.312 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.405 11.515 -7.079 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.599 11.554 -10.940 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.132 12.697 -8.823 1.00 10.00 H new ATOM 795 N ASP A 63 -8.371 9.549 -10.721 1.00 10.00 N ATOM 796 CA ASP A 63 -8.832 10.525 -11.712 1.00 10.00 C ATOM 797 C ASP A 63 -9.779 9.851 -12.708 1.00 10.00 C ATOM 798 O ASP A 63 -9.961 10.310 -13.834 1.00 10.00 O ATOM 799 CB ASP A 63 -7.645 11.173 -12.447 1.00 10.00 C ATOM 800 CG ASP A 63 -8.029 12.448 -13.177 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.972 13.135 -12.730 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.381 12.776 -14.197 1.00 10.00 O ATOM 0 H ASP A 63 -8.645 9.769 -9.763 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.371 11.316 -11.191 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.856 11.395 -11.728 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.234 10.460 -13.162 1.00 10.00 H new ATOM 807 N GLY A 64 -10.375 8.748 -12.270 1.00 10.00 N ATOM 808 CA GLY A 64 -11.297 8.008 -13.109 1.00 10.00 C ATOM 809 C GLY A 64 -10.595 7.052 -14.054 1.00 10.00 C ATOM 810 O GLY A 64 -11.245 6.372 -14.849 1.00 10.00 O ATOM 0 H GLY A 64 -10.234 8.351 -11.341 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -11.985 7.447 -12.477 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -11.897 8.710 -13.689 1.00 10.00 H new ATOM 814 N GLN A 65 -9.274 6.991 -13.965 1.00 10.00 N ATOM 815 CA GLN A 65 -8.492 6.119 -14.828 1.00 10.00 C ATOM 816 C GLN A 65 -7.923 4.944 -14.037 1.00 10.00 C ATOM 817 O GLN A 65 -7.532 5.102 -12.877 1.00 10.00 O ATOM 818 CB GLN A 65 -7.349 6.903 -15.482 1.00 10.00 C ATOM 819 CG GLN A 65 -7.801 8.164 -16.204 1.00 10.00 C ATOM 820 CD GLN A 65 -8.822 7.885 -17.294 1.00 10.00 C ATOM 821 OE1 GLN A 65 -8.805 6.829 -17.929 1.00 10.00 O ATOM 822 NE2 GLN A 65 -9.720 8.830 -17.512 1.00 10.00 N ATOM 0 H GLN A 65 -8.721 7.536 -13.303 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.151 5.732 -15.605 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.623 7.175 -14.716 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -6.836 6.254 -16.191 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.229 8.858 -15.480 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -6.933 8.657 -16.643 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.699 9.690 -16.964 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.434 8.699 -18.228 1.00 10.00 H new ATOM 831 N PRO A 66 -7.903 3.739 -14.636 1.00 10.00 N ATOM 832 CA PRO A 66 -7.363 2.541 -13.987 1.00 10.00 C ATOM 833 C PRO A 66 -5.855 2.633 -13.791 1.00 10.00 C ATOM 834 O PRO A 66 -5.115 2.969 -14.721 1.00 10.00 O ATOM 835 CB PRO A 66 -7.701 1.402 -14.961 1.00 10.00 C ATOM 836 CG PRO A 66 -8.702 1.967 -15.909 1.00 10.00 C ATOM 837 CD PRO A 66 -8.417 3.437 -15.983 1.00 10.00 C ATOM 0 HA PRO A 66 -7.784 2.398 -12.992 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.810 1.061 -15.489 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.107 0.540 -14.431 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.615 1.503 -16.891 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.718 1.784 -15.559 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.685 3.668 -16.756 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.314 4.012 -16.212 1.00 10.00 H new ATOM 845 N ILE A 67 -5.403 2.338 -12.582 1.00 10.00 N ATOM 846 CA ILE A 67 -3.984 2.392 -12.268 1.00 10.00 C ATOM 847 C ILE A 67 -3.299 1.086 -12.666 1.00 10.00 C ATOM 848 O ILE A 67 -3.864 0.001 -12.499 1.00 10.00 O ATOM 849 CB ILE A 67 -3.754 2.665 -10.765 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.526 3.916 -10.332 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.269 2.823 -10.464 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.412 4.223 -8.853 1.00 10.00 C ATOM 0 H ILE A 67 -5.998 2.059 -11.802 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.550 3.213 -12.838 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.124 1.811 -10.199 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.161 4.772 -10.900 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.578 3.789 -10.587 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.132 3.014 -9.400 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.743 1.909 -10.739 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.868 3.659 -11.038 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -4.984 5.122 -8.623 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.804 3.385 -8.276 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.365 4.383 -8.594 1.00 10.00 H new ATOM 864 N ASN A 68 -2.096 1.200 -13.212 1.00 10.00 N ATOM 865 CA ASN A 68 -1.330 0.037 -13.634 1.00 10.00 C ATOM 866 C ASN A 68 -0.234 -0.272 -12.625 1.00 10.00 C ATOM 867 O ASN A 68 -0.109 0.412 -11.609 1.00 10.00 O ATOM 868 CB ASN A 68 -0.724 0.270 -15.019 1.00 10.00 C ATOM 869 CG ASN A 68 -1.697 -0.061 -16.133 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.345 -1.111 -16.117 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.816 0.833 -17.100 1.00 10.00 N ATOM 0 H ASN A 68 -1.628 2.092 -13.373 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.004 -0.818 -13.689 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.414 1.311 -15.107 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.173 -0.340 -15.129 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.463 0.667 -17.871 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.261 1.688 -17.075 1.00 10.00 H new ATOM 878 N GLU A 69 0.570 -1.285 -12.908 1.00 10.00 N ATOM 879 CA GLU A 69 1.648 -1.681 -12.006 1.00 10.00 C ATOM 880 C GLU A 69 2.972 -1.040 -12.409 1.00 10.00 C ATOM 881 O GLU A 69 4.035 -1.425 -11.919 1.00 10.00 O ATOM 882 CB GLU A 69 1.784 -3.204 -11.989 1.00 10.00 C ATOM 883 CG GLU A 69 0.532 -3.915 -11.501 1.00 10.00 C ATOM 884 CD GLU A 69 0.662 -5.424 -11.546 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.182 -6.012 -10.577 1.00 10.00 O ATOM 886 OE2 GLU A 69 0.236 -6.029 -12.552 1.00 10.00 O ATOM 0 H GLU A 69 0.499 -1.850 -13.754 1.00 10.00 H new ATOM 0 HA GLU A 69 1.396 -1.331 -11.005 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.022 -3.552 -12.994 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.622 -3.480 -11.349 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.317 -3.603 -10.479 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.317 -3.609 -12.113 1.00 10.00 H new ATOM 893 N THR A 70 2.903 -0.063 -13.301 1.00 10.00 N ATOM 894 CA THR A 70 4.092 0.630 -13.771 1.00 10.00 C ATOM 895 C THR A 70 3.890 2.139 -13.720 1.00 10.00 C ATOM 896 O THR A 70 4.365 2.872 -14.588 1.00 10.00 O ATOM 897 CB THR A 70 4.435 0.213 -15.214 1.00 10.00 C ATOM 898 OG1 THR A 70 3.230 0.038 -15.970 1.00 10.00 O ATOM 899 CG2 THR A 70 5.241 -1.078 -15.232 1.00 10.00 C ATOM 0 H THR A 70 2.032 0.268 -13.715 1.00 10.00 H new ATOM 0 HA THR A 70 4.917 0.354 -13.114 1.00 10.00 H new ATOM 0 HB THR A 70 5.038 1.003 -15.662 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.454 -0.225 -16.887 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.470 -1.350 -16.262 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.170 -0.935 -14.680 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.661 -1.875 -14.767 1.00 10.00 H new ATOM 907 N ASP A 71 3.196 2.605 -12.693 1.00 10.00 N ATOM 908 CA ASP A 71 2.918 4.029 -12.552 1.00 10.00 C ATOM 909 C ASP A 71 3.496 4.583 -11.259 1.00 10.00 C ATOM 910 O ASP A 71 3.665 3.860 -10.275 1.00 10.00 O ATOM 911 CB ASP A 71 1.408 4.286 -12.596 1.00 10.00 C ATOM 912 CG ASP A 71 0.858 4.282 -14.007 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.137 3.327 -14.369 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.151 5.228 -14.767 1.00 10.00 O ATOM 0 H ASP A 71 2.816 2.022 -11.947 1.00 10.00 H new ATOM 0 HA ASP A 71 3.396 4.542 -13.387 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.896 3.524 -12.008 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.193 5.247 -12.129 1.00 10.00 H new ATOM 919 N THR A 72 3.798 5.871 -11.275 1.00 10.00 N ATOM 920 CA THR A 72 4.346 6.562 -10.117 1.00 10.00 C ATOM 921 C THR A 72 3.517 7.814 -9.829 1.00 10.00 C ATOM 922 O THR A 72 2.759 8.259 -10.694 1.00 10.00 O ATOM 923 CB THR A 72 5.817 6.962 -10.358 1.00 10.00 C ATOM 924 OG1 THR A 72 6.052 7.131 -11.760 1.00 10.00 O ATOM 925 CG2 THR A 72 6.767 5.915 -9.794 1.00 10.00 C ATOM 0 H THR A 72 3.670 6.468 -12.092 1.00 10.00 H new ATOM 0 HA THR A 72 4.307 5.887 -9.262 1.00 10.00 H new ATOM 0 HB THR A 72 6.004 7.904 -9.843 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.987 7.386 -11.907 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.797 6.222 -9.977 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.604 5.816 -8.721 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.582 4.957 -10.279 1.00 10.00 H new ATOM 933 N PRO A 73 3.634 8.395 -8.620 1.00 10.00 N ATOM 934 CA PRO A 73 2.884 9.603 -8.248 1.00 10.00 C ATOM 935 C PRO A 73 3.117 10.748 -9.230 1.00 10.00 C ATOM 936 O PRO A 73 2.172 11.394 -9.682 1.00 10.00 O ATOM 937 CB PRO A 73 3.434 9.962 -6.865 1.00 10.00 C ATOM 938 CG PRO A 73 3.977 8.686 -6.327 1.00 10.00 C ATOM 939 CD PRO A 73 4.486 7.921 -7.513 1.00 10.00 C ATOM 0 HA PRO A 73 1.808 9.432 -8.255 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.210 10.724 -6.934 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.651 10.362 -6.220 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.777 8.874 -5.611 1.00 10.00 H new ATOM 0 HG3 PRO A 73 3.205 8.124 -5.802 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.540 8.127 -7.701 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.392 6.845 -7.367 1.00 10.00 H new ATOM 947 N ALA A 74 4.379 10.978 -9.569 1.00 10.00 N ATOM 948 CA ALA A 74 4.740 12.036 -10.501 1.00 10.00 C ATOM 949 C ALA A 74 4.229 11.719 -11.903 1.00 10.00 C ATOM 950 O ALA A 74 3.840 12.614 -12.649 1.00 10.00 O ATOM 951 CB ALA A 74 6.249 12.230 -10.515 1.00 10.00 C ATOM 0 H ALA A 74 5.171 10.444 -9.211 1.00 10.00 H new ATOM 0 HA ALA A 74 4.271 12.963 -10.171 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.507 13.024 -11.216 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.590 12.502 -9.516 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.732 11.303 -10.823 1.00 10.00 H new ATOM 957 N GLN A 75 4.214 10.434 -12.240 1.00 10.00 N ATOM 958 CA GLN A 75 3.751 9.975 -13.547 1.00 10.00 C ATOM 959 C GLN A 75 2.266 10.281 -13.747 1.00 10.00 C ATOM 960 O GLN A 75 1.838 10.655 -14.839 1.00 10.00 O ATOM 961 CB GLN A 75 4.005 8.471 -13.681 1.00 10.00 C ATOM 962 CG GLN A 75 3.329 7.817 -14.878 1.00 10.00 C ATOM 963 CD GLN A 75 3.950 8.219 -16.201 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.128 8.571 -16.269 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.166 8.149 -17.263 1.00 10.00 N ATOM 0 H GLN A 75 4.520 9.684 -11.620 1.00 10.00 H new ATOM 0 HA GLN A 75 4.307 10.508 -14.318 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.080 8.302 -13.751 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.663 7.976 -12.772 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.383 6.734 -14.772 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.272 8.084 -14.883 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.195 7.852 -17.162 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.532 8.392 -18.184 1.00 10.00 H new ATOM 974 N LEU A 76 1.484 10.130 -12.687 1.00 10.00 N ATOM 975 CA LEU A 76 0.051 10.384 -12.761 1.00 10.00 C ATOM 976 C LEU A 76 -0.288 11.809 -12.339 1.00 10.00 C ATOM 977 O LEU A 76 -1.463 12.159 -12.235 1.00 10.00 O ATOM 978 CB LEU A 76 -0.717 9.387 -11.890 1.00 10.00 C ATOM 979 CG LEU A 76 -0.765 7.948 -12.418 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.617 7.077 -11.508 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.305 7.913 -13.840 1.00 10.00 C ATOM 0 H LEU A 76 1.815 9.834 -11.769 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.250 10.257 -13.801 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.267 9.376 -10.897 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.739 9.746 -11.772 1.00 10.00 H new ATOM 0 HG LEU A 76 0.251 7.554 -12.427 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.641 6.059 -11.897 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.190 7.073 -10.505 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.631 7.474 -11.469 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.330 6.883 -14.194 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.313 8.327 -13.857 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.659 8.504 -14.489 1.00 10.00 H new ATOM 993 N GLU A 77 0.744 12.624 -12.105 1.00 10.00 N ATOM 994 CA GLU A 77 0.559 14.017 -11.691 1.00 10.00 C ATOM 995 C GLU A 77 -0.248 14.090 -10.395 1.00 10.00 C ATOM 996 O GLU A 77 -1.143 14.923 -10.250 1.00 10.00 O ATOM 997 CB GLU A 77 -0.144 14.819 -12.795 1.00 10.00 C ATOM 998 CG GLU A 77 0.641 14.898 -14.094 1.00 10.00 C ATOM 999 CD GLU A 77 1.711 15.967 -14.062 1.00 10.00 C ATOM 1000 OE1 GLU A 77 1.366 17.152 -13.879 1.00 10.00 O ATOM 1001 OE2 GLU A 77 2.901 15.632 -14.229 1.00 10.00 O ATOM 0 H GLU A 77 1.720 12.341 -12.196 1.00 10.00 H new ATOM 0 HA GLU A 77 1.543 14.453 -11.515 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -1.115 14.367 -12.996 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -0.331 15.830 -12.433 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.104 13.932 -14.294 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -0.045 15.100 -14.917 1.00 10.00 H new ATOM 1008 N MET A 78 0.080 13.216 -9.456 1.00 10.00 N ATOM 1009 CA MET A 78 -0.617 13.163 -8.180 1.00 10.00 C ATOM 1010 C MET A 78 -0.017 14.154 -7.196 1.00 10.00 C ATOM 1011 O MET A 78 1.199 14.363 -7.172 1.00 10.00 O ATOM 1012 CB MET A 78 -0.546 11.749 -7.599 1.00 10.00 C ATOM 1013 CG MET A 78 -1.075 10.684 -8.543 1.00 10.00 C ATOM 1014 SD MET A 78 -0.642 9.012 -8.030 1.00 10.00 S ATOM 1015 CE MET A 78 -1.655 8.836 -6.564 1.00 10.00 C ATOM 0 H MET A 78 0.829 12.530 -9.555 1.00 10.00 H new ATOM 0 HA MET A 78 -1.660 13.430 -8.350 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.489 11.519 -7.347 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.115 11.716 -6.670 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.160 10.769 -8.607 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.681 10.865 -9.543 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.383 7.919 -6.041 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.494 9.690 -5.906 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.706 8.792 -6.851 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.873 14.765 -6.393 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.434 15.727 -5.398 1.00 10.00 C ATOM 1027 C GLU A 79 -0.866 15.278 -4.006 1.00 10.00 C ATOM 1028 O GLU A 79 -1.528 14.250 -3.852 1.00 10.00 O ATOM 1029 CB GLU A 79 -0.998 17.114 -5.707 1.00 10.00 C ATOM 1030 CG GLU A 79 0.076 18.167 -5.941 1.00 10.00 C ATOM 1031 CD GLU A 79 1.077 18.230 -4.805 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.659 18.481 -3.655 1.00 10.00 O ATOM 1033 OE2 GLU A 79 2.284 18.021 -5.053 1.00 10.00 O ATOM 0 H GLU A 79 -1.881 14.610 -6.412 1.00 10.00 H new ATOM 0 HA GLU A 79 0.654 15.784 -5.427 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.633 17.051 -6.591 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.633 17.432 -4.880 1.00 10.00 H new ATOM 0 HG2 GLU A 79 0.599 17.948 -6.872 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.395 19.143 -6.062 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.489 16.045 -2.998 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.835 15.724 -1.620 1.00 10.00 C ATOM 1042 C ASP A 80 -2.339 15.874 -1.404 1.00 10.00 C ATOM 1043 O ASP A 80 -2.974 16.717 -2.042 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.067 16.638 -0.660 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.057 16.126 0.767 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.915 15.441 1.145 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -1.009 16.424 1.518 1.00 10.00 O ATOM 0 H ASP A 80 0.059 16.898 -3.106 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.557 14.689 -1.419 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.960 16.742 -1.010 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.513 17.633 -0.680 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.892 15.031 -0.530 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.322 15.038 -0.188 1.00 10.00 C ATOM 1054 C GLU A 81 -5.177 14.360 -1.262 1.00 10.00 C ATOM 1055 O GLU A 81 -6.404 14.325 -1.150 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.837 16.462 0.070 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.376 17.058 1.391 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.465 17.051 2.444 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -6.385 17.887 2.365 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.405 16.212 3.365 1.00 10.00 O ATOM 0 H GLU A 81 -2.359 14.317 -0.034 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.417 14.462 0.732 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.508 17.109 -0.743 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.927 16.452 0.048 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.517 16.497 1.758 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.041 18.082 1.226 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.540 13.816 -2.293 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.276 13.139 -3.360 1.00 10.00 C ATOM 1069 C ASP A 82 -5.820 11.803 -2.863 1.00 10.00 C ATOM 1070 O ASP A 82 -5.164 11.102 -2.087 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.398 12.928 -4.596 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.680 13.949 -5.682 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.766 13.886 -6.297 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.822 14.827 -5.922 1.00 10.00 O ATOM 0 H ASP A 82 -3.527 13.828 -2.415 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.111 13.777 -3.648 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.348 12.987 -4.308 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.564 11.926 -4.990 1.00 10.00 H new ATOM 1079 N THR A 83 -7.016 11.450 -3.307 1.00 10.00 N ATOM 1080 CA THR A 83 -7.652 10.214 -2.881 1.00 10.00 C ATOM 1081 C THR A 83 -7.793 9.223 -4.037 1.00 10.00 C ATOM 1082 O THR A 83 -8.036 9.612 -5.182 1.00 10.00 O ATOM 1083 CB THR A 83 -9.040 10.508 -2.280 1.00 10.00 C ATOM 1084 OG1 THR A 83 -8.959 11.672 -1.444 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.544 9.330 -1.460 1.00 10.00 C ATOM 0 H THR A 83 -7.567 12.003 -3.964 1.00 10.00 H new ATOM 0 HA THR A 83 -7.013 9.762 -2.123 1.00 10.00 H new ATOM 0 HB THR A 83 -9.740 10.680 -3.098 1.00 10.00 H new ATOM 0 HG1 THR A 83 -9.841 11.862 -1.062 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.525 9.566 -1.048 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.620 8.449 -2.097 1.00 10.00 H new ATOM 0 HG23 THR A 83 -8.848 9.129 -0.646 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.615 7.944 -3.726 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.734 6.879 -4.712 1.00 10.00 C ATOM 1095 C ILE A 84 -8.908 5.974 -4.354 1.00 10.00 C ATOM 1096 O ILE A 84 -9.070 5.583 -3.193 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.438 6.039 -4.797 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.250 6.934 -5.163 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.589 4.908 -5.807 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.932 6.196 -5.224 1.00 10.00 C ATOM 0 H ILE A 84 -7.385 7.618 -2.787 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.904 7.339 -5.685 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.252 5.594 -3.819 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.441 7.400 -6.130 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.173 7.738 -4.431 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.665 4.332 -5.849 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.409 4.257 -5.504 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.801 5.325 -6.791 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.137 6.893 -5.489 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.718 5.753 -4.251 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.990 5.409 -5.976 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.725 5.651 -5.347 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.895 4.806 -5.132 1.00 10.00 C ATOM 1114 C ASP A 85 -10.534 3.331 -5.243 1.00 10.00 C ATOM 1115 O ASP A 85 -9.714 2.939 -6.078 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.996 5.133 -6.145 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.576 6.519 -5.963 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.169 6.790 -4.895 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.460 7.342 -6.898 1.00 10.00 O ATOM 0 H ASP A 85 -9.600 5.961 -6.311 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.260 5.007 -4.125 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.592 5.044 -7.153 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.795 4.397 -6.055 1.00 10.00 H new ATOM 1124 N VAL A 86 -11.154 2.518 -4.396 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.920 1.082 -4.395 1.00 10.00 C ATOM 1126 C VAL A 86 -12.175 0.338 -4.848 1.00 10.00 C ATOM 1127 O VAL A 86 -13.242 0.469 -4.244 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.505 0.569 -2.999 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -10.048 -0.881 -3.071 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.414 1.446 -2.407 1.00 10.00 C ATOM 0 H VAL A 86 -11.827 2.833 -3.697 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.103 0.890 -5.090 1.00 10.00 H new ATOM 0 HB VAL A 86 -11.376 0.619 -2.346 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.760 -1.222 -2.076 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.863 -1.501 -3.445 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.193 -0.960 -3.743 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -9.136 1.067 -1.423 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.542 1.433 -3.061 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.780 2.468 -2.312 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.048 -0.423 -5.921 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.162 -1.186 -6.457 1.00 10.00 C ATOM 1142 C PHE A 87 -12.844 -2.673 -6.436 1.00 10.00 C ATOM 1143 O PHE A 87 -11.708 -3.068 -6.182 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.471 -0.752 -7.893 1.00 10.00 C ATOM 1145 CG PHE A 87 -13.928 0.673 -8.017 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.207 1.039 -7.639 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.077 1.643 -8.519 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.632 2.348 -7.759 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.494 2.954 -8.641 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.773 3.307 -8.259 1.00 10.00 C ATOM 0 H PHE A 87 -11.177 -0.529 -6.442 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.034 -0.995 -5.832 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.579 -0.891 -8.503 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.241 -1.406 -8.301 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.881 0.293 -7.245 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.076 1.371 -8.819 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.634 2.621 -7.462 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.821 3.702 -9.034 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.101 4.332 -8.351 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.847 -3.493 -6.695 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.665 -4.933 -6.723 1.00 10.00 C ATOM 1162 C GLN A 88 -14.031 -5.477 -8.094 1.00 10.00 C ATOM 1163 O GLN A 88 -14.730 -4.819 -8.868 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.512 -5.615 -5.644 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.000 -5.379 -4.233 1.00 10.00 C ATOM 1166 CD GLN A 88 -14.313 -6.528 -3.298 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -14.374 -7.689 -3.712 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.505 -6.217 -2.030 1.00 10.00 N ATOM 0 H GLN A 88 -14.800 -3.184 -6.890 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.616 -5.148 -6.519 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.538 -5.253 -5.715 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.539 -6.687 -5.838 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.921 -5.224 -4.263 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.442 -4.464 -3.839 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.446 -5.244 -1.729 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -14.713 -6.949 -1.351 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.537 -6.662 -8.399 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.817 -7.299 -9.672 1.00 10.00 C ATOM 1179 C GLN A 89 -15.134 -8.058 -9.589 1.00 10.00 C ATOM 1180 O GLN A 89 -15.486 -8.595 -8.535 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.672 -8.246 -10.056 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.628 -8.595 -11.538 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.678 -7.370 -12.434 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.247 -6.282 -12.052 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.206 -7.541 -13.633 1.00 10.00 N ATOM 0 H GLN A 89 -12.937 -7.205 -7.779 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.901 -6.533 -10.443 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.724 -7.788 -9.773 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.766 -9.166 -9.479 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.717 -9.155 -11.747 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.467 -9.249 -11.777 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.552 -8.459 -13.912 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.268 -6.755 -14.280 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.870 -8.075 -10.690 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.147 -8.771 -10.744 1.00 10.00 C ATOM 1196 C GLN A 90 -16.922 -10.273 -10.638 1.00 10.00 C ATOM 1197 O GLN A 90 -15.956 -10.806 -11.192 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.892 -8.440 -12.046 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.349 -6.991 -12.155 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.205 -6.029 -12.426 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.193 -6.401 -13.021 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.353 -4.789 -11.984 1.00 10.00 N ATOM 0 H GLN A 90 -15.604 -7.614 -11.560 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.759 -8.439 -9.905 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.242 -8.668 -12.891 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.763 -9.091 -12.128 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.085 -6.907 -12.955 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.848 -6.702 -11.230 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.207 -4.520 -11.495 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.613 -4.103 -12.132 1.00 10.00 H new ATOM 1211 N THR A 91 -17.800 -10.948 -9.923 1.00 10.00 N ATOM 1212 CA THR A 91 -17.694 -12.382 -9.745 1.00 10.00 C ATOM 1213 C THR A 91 -18.124 -13.117 -11.010 1.00 10.00 C ATOM 1214 O THR A 91 -17.458 -14.053 -11.455 1.00 10.00 O ATOM 1215 CB THR A 91 -18.547 -12.846 -8.554 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.623 -11.918 -8.336 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.701 -12.953 -7.295 1.00 10.00 C ATOM 0 H THR A 91 -18.599 -10.523 -9.453 1.00 10.00 H new ATOM 0 HA THR A 91 -16.650 -12.618 -9.541 1.00 10.00 H new ATOM 0 HB THR A 91 -18.954 -13.831 -8.784 1.00 10.00 H new ATOM 0 HG1 THR A 91 -19.304 -11.170 -7.789 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.325 -13.283 -6.464 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.899 -13.674 -7.455 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.271 -11.979 -7.061 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.228 -12.673 -11.593 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.730 -13.288 -12.806 1.00 10.00 C ATOM 1227 C GLY A 92 -21.233 -13.470 -12.782 1.00 10.00 C ATOM 1228 O GLY A 92 -21.901 -13.036 -11.839 1.00 10.00 O ATOM 0 H GLY A 92 -19.788 -11.894 -11.246 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.455 -12.673 -13.663 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.252 -14.258 -12.943 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.345 6.638 15.560 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.591 6.218 14.189 1.00 10.00 C ATOM 1235 C ASP B 195 -12.496 5.262 13.750 1.00 10.00 C ATOM 1236 O ASP B 195 -11.788 4.699 14.588 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.640 7.431 13.261 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.662 7.258 12.158 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.536 8.136 12.010 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.596 6.240 11.434 1.00 10.00 O ATOM 0 HA ASP B 195 -14.554 5.710 14.137 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.880 8.322 13.841 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -12.656 7.592 12.822 1.00 10.00 H new ATOM 1245 N THR B 196 -12.315 5.083 12.448 1.00 10.00 N ATOM 1246 CA THR B 196 -11.278 4.191 11.984 1.00 10.00 C ATOM 1247 C THR B 196 -10.244 4.948 11.171 1.00 10.00 C ATOM 1248 O THR B 196 -10.551 5.598 10.169 1.00 10.00 O ATOM 1249 CB THR B 196 -11.860 3.063 11.120 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.907 3.581 10.289 1.00 10.00 O ATOM 1251 CG2 THR B 196 -12.400 1.931 11.985 1.00 10.00 C ATOM 0 H THR B 196 -12.862 5.535 11.715 1.00 10.00 H new ATOM 0 HA THR B 196 -10.806 3.758 12.866 1.00 10.00 H new ATOM 0 HB THR B 196 -11.061 2.663 10.496 1.00 10.00 H new ATOM 0 HG1 THR B 196 -12.635 4.448 9.922 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.806 1.147 11.346 1.00 10.00 H new ATOM 0 HG22 THR B 196 -11.594 1.522 12.594 1.00 10.00 H new ATOM 0 HG23 THR B 196 -13.187 2.313 12.635 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.011 4.852 11.623 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.907 5.502 10.962 1.00 10.00 C ATOM 1261 C ALA B 197 -6.836 4.474 10.659 1.00 10.00 C ATOM 1262 O ALA B 197 -6.412 3.738 11.550 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.356 6.627 11.824 1.00 10.00 C ATOM 0 H ALA B 197 -8.750 4.323 12.455 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.251 5.943 10.027 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.523 7.106 11.309 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.140 7.362 12.008 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.009 6.221 12.774 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.403 4.416 9.423 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.372 3.484 9.050 1.00 10.00 C ATOM 1271 C GLY B 198 -4.179 4.198 8.484 1.00 10.00 C ATOM 1272 O GLY B 198 -4.336 5.057 7.621 1.00 10.00 O ATOM 0 H GLY B 198 -6.748 5.001 8.662 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.072 2.901 9.921 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.762 2.781 8.314 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.993 3.883 8.972 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.795 4.513 8.455 1.00 10.00 C ATOM 1278 C CYS B 199 -0.898 3.452 7.849 1.00 10.00 C ATOM 1279 O CYS B 199 -0.542 2.471 8.503 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.071 5.273 9.574 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.132 6.411 10.505 1.00 10.00 S ATOM 0 H CYS B 199 -2.835 3.203 9.716 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.062 5.233 7.682 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.636 4.552 10.266 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.245 5.837 9.140 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.431 7.002 11.427 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.577 3.633 6.579 1.00 10.00 N ATOM 1288 CA ILE B 200 0.272 2.710 5.859 1.00 10.00 C ATOM 1289 C ILE B 200 1.453 3.467 5.236 1.00 10.00 C ATOM 1290 O ILE B 200 1.264 4.511 4.607 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.562 1.953 4.796 1.00 10.00 C ATOM 1292 CG1 ILE B 200 0.174 0.723 4.263 1.00 10.00 C ATOM 1293 CG2 ILE B 200 -0.957 2.864 3.653 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -0.648 -0.082 3.281 1.00 10.00 C ATOM 0 H ILE B 200 -0.899 4.424 6.022 1.00 10.00 H new ATOM 0 HA ILE B 200 0.683 1.969 6.544 1.00 10.00 H new ATOM 0 HB ILE B 200 -1.469 1.611 5.294 1.00 10.00 H new ATOM 0 HG12 ILE B 200 1.098 1.041 3.779 1.00 10.00 H new ATOM 0 HG13 ILE B 200 0.456 0.085 5.100 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -1.541 2.302 2.925 1.00 10.00 H new ATOM 0 HG22 ILE B 200 -1.555 3.691 4.037 1.00 10.00 H new ATOM 0 HG23 ILE B 200 -0.060 3.256 3.174 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -0.070 -0.941 2.940 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -1.560 -0.429 3.768 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.908 0.542 2.426 1.00 10.00 H new ATOM 1306 N VAL B 201 2.672 3.001 5.465 1.00 10.00 N ATOM 1307 CA VAL B 201 3.846 3.661 4.901 1.00 10.00 C ATOM 1308 C VAL B 201 4.671 2.712 4.036 1.00 10.00 C ATOM 1309 O VAL B 201 4.999 1.601 4.457 1.00 10.00 O ATOM 1310 CB VAL B 201 4.744 4.267 6.003 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.078 3.231 7.067 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.022 4.843 5.409 1.00 10.00 C ATOM 0 H VAL B 201 2.876 2.177 6.031 1.00 10.00 H new ATOM 0 HA VAL B 201 3.470 4.467 4.271 1.00 10.00 H new ATOM 0 HB VAL B 201 4.187 5.077 6.474 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.711 3.684 7.830 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.157 2.871 7.526 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.605 2.395 6.608 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.636 5.263 6.205 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.576 4.053 4.902 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.770 5.626 4.694 1.00 10.00 H new ATOM 1322 N ILE B 202 4.971 3.138 2.811 1.00 10.00 N ATOM 1323 CA ILE B 202 5.792 2.344 1.908 1.00 10.00 C ATOM 1324 C ILE B 202 6.996 3.159 1.454 1.00 10.00 C ATOM 1325 O ILE B 202 6.857 4.312 1.035 1.00 10.00 O ATOM 1326 CB ILE B 202 5.003 1.820 0.671 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.657 2.959 -0.301 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.742 1.095 1.123 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.804 2.535 -1.478 1.00 10.00 C ATOM 0 H ILE B 202 4.657 4.028 2.424 1.00 10.00 H new ATOM 0 HA ILE B 202 6.122 1.467 2.464 1.00 10.00 H new ATOM 0 HB ILE B 202 5.642 1.117 0.136 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.135 3.743 0.247 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.583 3.395 -0.676 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.198 0.733 0.251 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.015 0.251 1.757 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.109 1.782 1.686 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.606 3.398 -2.114 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.331 1.774 -2.053 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.860 2.128 -1.115 1.00 10.00 H new HETATM 1341 N SEP B 203 8.179 2.588 1.580 1.00 10.00 N HETATM 1342 CA SEP B 203 9.388 3.276 1.153 1.00 10.00 C HETATM 1343 CB SEP B 203 10.295 3.549 2.354 1.00 10.00 C HETATM 1344 OG SEP B 203 9.597 4.215 3.394 1.00 10.00 O HETATM 1345 C SEP B 203 10.137 2.448 0.113 1.00 10.00 C HETATM 1346 O SEP B 203 10.406 1.264 0.329 1.00 10.00 O HETATM 1347 P SEP B 203 10.153 5.600 3.952 1.00 10.00 P HETATM 1348 O1P SEP B 203 11.621 5.699 3.946 1.00 10.00 O HETATM 1349 O2P SEP B 203 9.544 6.034 5.224 1.00 10.00 O HETATM 1350 O3P SEP B 203 9.678 6.688 2.885 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.696 2.608 2.729 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.145 4.155 2.039 1.00 10.00 H new HETATM 0 HA SEP B 203 9.101 4.226 0.702 1.00 10.00 H new ATOM 1355 N ASP B 204 10.462 3.062 -1.020 1.00 10.00 N ATOM 1356 CA ASP B 204 11.206 2.368 -2.067 1.00 10.00 C ATOM 1357 C ASP B 204 12.502 3.113 -2.354 1.00 10.00 C ATOM 1358 O ASP B 204 12.486 4.318 -2.613 1.00 10.00 O ATOM 1359 CB ASP B 204 10.369 2.268 -3.345 1.00 10.00 C ATOM 1360 CG ASP B 204 10.786 1.107 -4.225 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.767 1.251 -4.984 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.133 0.043 -4.162 1.00 10.00 O ATOM 0 H ASP B 204 10.225 4.030 -1.236 1.00 10.00 H new ATOM 0 HA ASP B 204 11.436 1.359 -1.724 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.318 2.158 -3.079 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.460 3.197 -3.908 1.00 10.00 H new HETATM 1367 N SEP B 205 13.618 2.407 -2.300 1.00 10.00 N HETATM 1368 CA SEP B 205 14.915 3.009 -2.556 1.00 10.00 C HETATM 1369 CB SEP B 205 15.778 2.951 -1.295 1.00 10.00 C HETATM 1370 OG SEP B 205 15.212 2.087 -0.313 1.00 10.00 O HETATM 1371 C SEP B 205 15.607 2.315 -3.720 1.00 10.00 C HETATM 1372 O SEP B 205 15.681 1.082 -3.765 1.00 10.00 O HETATM 1373 P SEP B 205 16.055 1.668 0.982 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.967 0.237 1.310 1.00 10.00 O HETATM 1375 O2P SEP B 205 17.429 2.198 1.014 1.00 10.00 O HETATM 1376 O3P SEP B 205 15.324 2.395 2.204 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.778 2.604 -1.553 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.886 3.953 -0.880 1.00 10.00 H new HETATM 0 HA SEP B 205 14.770 4.055 -2.828 1.00 10.00 H new ATOM 1381 N GLU B 206 16.095 3.107 -4.666 1.00 10.00 N ATOM 1382 CA GLU B 206 16.780 2.573 -5.838 1.00 10.00 C ATOM 1383 C GLU B 206 18.188 2.110 -5.465 1.00 10.00 C ATOM 1384 O GLU B 206 18.928 2.829 -4.782 1.00 10.00 O ATOM 1385 CB GLU B 206 16.843 3.633 -6.949 1.00 10.00 C ATOM 1386 CG GLU B 206 17.241 3.085 -8.311 1.00 10.00 C ATOM 1387 CD GLU B 206 16.172 2.203 -8.920 1.00 10.00 C ATOM 1388 OE1 GLU B 206 16.184 0.981 -8.663 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.319 2.728 -9.665 1.00 10.00 O ATOM 0 H GLU B 206 16.029 4.125 -4.645 1.00 10.00 H new ATOM 0 HA GLU B 206 16.219 1.715 -6.208 1.00 10.00 H new ATOM 0 HB2 GLU B 206 15.868 4.113 -7.034 1.00 10.00 H new ATOM 0 HB3 GLU B 206 17.555 4.406 -6.659 1.00 10.00 H new ATOM 0 HG2 GLU B 206 17.449 3.915 -8.986 1.00 10.00 H new ATOM 0 HG3 GLU B 206 18.165 2.515 -8.213 1.00 10.00 H new TER 1396 GLU B 206