USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= -0.68 X(o=-1.7,f=-1.5) USER MOD Set 1.2: A 62 CYS SG : rot 116:sc= -1.03 USER MOD Set 2.1: A 30 CYS SG : rot 126:sc= -0.727 USER MOD Set 2.2: A 79 CYS SG : rot 106:sc= 1.44 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0766 X(o=-0.077,f=0.014) USER MOD Single : A 18 GLN : amide:sc= -1.1! C(o=-1.1!,f=-3.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.287 F(o=-3.5!,f=0.29) USER MOD Single : A 34 SER OG : rot 180:sc= -0.43 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -58:sc= 0.0347 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.178 (180deg=-0.71) USER MOD Single : A 65 GLN : amide:sc=-0.00748 K(o=-0.0075,f=-2) USER MOD Single : A 71 MET CE :methyl 154:sc= -3.28 (180deg=-4.87!) USER MOD Single : A 74 THR OG1 : rot 91:sc= -0.505 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -88:sc= -3.02! USER MOD Single : A 83 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.2) USER MOD Single : A 86 THR OG1 : rot 22:sc= -1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -164:sc= -0.244 (180deg=-0.802) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.757 16.306 4.474 1.00 0.00 N ATOM 81 CA ALA A 9 -12.993 16.173 3.240 1.00 0.00 C ATOM 82 C ALA A 9 -13.556 15.060 2.363 1.00 0.00 C ATOM 83 O ALA A 9 -13.816 13.954 2.837 1.00 0.00 O ATOM 84 CB ALA A 9 -11.527 15.909 3.553 1.00 0.00 C ATOM 0 HA ALA A 9 -13.073 17.110 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.968 15.812 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.124 16.739 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.438 14.987 4.128 1.00 0.00 H new ATOM 90 N ARG A 10 -13.744 15.361 1.082 1.00 0.00 N ATOM 91 CA ARG A 10 -14.279 14.386 0.139 1.00 0.00 C ATOM 92 C ARG A 10 -13.229 14.001 -0.899 1.00 0.00 C ATOM 93 O ARG A 10 -12.400 14.821 -1.292 1.00 0.00 O ATOM 94 CB ARG A 10 -15.520 14.947 -0.558 1.00 0.00 C ATOM 95 CG ARG A 10 -15.265 16.250 -1.299 1.00 0.00 C ATOM 96 CD ARG A 10 -16.435 16.616 -2.199 1.00 0.00 C ATOM 97 NE ARG A 10 -16.325 17.979 -2.711 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.364 18.694 -3.129 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.584 18.177 -3.094 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.183 19.928 -3.581 1.00 0.00 N ATOM 0 H ARG A 10 -13.534 16.272 0.674 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.557 13.492 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.897 14.206 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.302 15.108 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.093 17.051 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.359 16.158 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.482 15.917 -3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.367 16.512 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.399 18.406 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.726 17.229 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.380 18.727 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.245 20.329 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.981 20.476 -3.902 1.00 0.00 H new ATOM 114 N PHE A 11 -13.272 12.747 -1.339 1.00 0.00 N ATOM 115 CA PHE A 11 -12.324 12.252 -2.330 1.00 0.00 C ATOM 116 C PHE A 11 -12.691 12.744 -3.727 1.00 0.00 C ATOM 117 O PHE A 11 -13.494 12.123 -4.424 1.00 0.00 O ATOM 118 CB PHE A 11 -12.284 10.723 -2.310 1.00 0.00 C ATOM 119 CG PHE A 11 -11.679 10.156 -1.057 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.305 10.123 -0.889 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.486 9.656 -0.048 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.746 9.601 0.263 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.934 9.133 1.106 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.562 9.106 1.262 1.00 0.00 C ATOM 0 H PHE A 11 -13.953 12.056 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.337 12.638 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.298 10.339 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.715 10.371 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.663 10.509 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.560 9.675 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.673 9.580 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.575 8.746 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.128 8.699 2.163 1.00 0.00 H new ATOM 134 N ILE A 12 -12.099 13.864 -4.128 1.00 0.00 N ATOM 135 CA ILE A 12 -12.363 14.439 -5.441 1.00 0.00 C ATOM 136 C ILE A 12 -11.877 13.516 -6.553 1.00 0.00 C ATOM 137 O ILE A 12 -12.454 13.482 -7.640 1.00 0.00 O ATOM 138 CB ILE A 12 -11.687 15.814 -5.600 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.165 15.669 -5.542 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.175 16.771 -4.522 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.423 16.923 -5.948 1.00 0.00 C ATOM 0 H ILE A 12 -11.434 14.391 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.443 14.562 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.956 16.225 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.873 15.396 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.861 14.850 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.689 17.738 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.255 16.894 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.932 16.367 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.349 16.748 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.686 17.186 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.698 17.740 -5.281 1.00 0.00 H new ATOM 153 N GLU A 13 -10.815 12.767 -6.273 1.00 0.00 N ATOM 154 CA GLU A 13 -10.254 11.842 -7.250 1.00 0.00 C ATOM 155 C GLU A 13 -10.178 10.429 -6.681 1.00 0.00 C ATOM 156 O GLU A 13 -9.530 10.193 -5.661 1.00 0.00 O ATOM 157 CB GLU A 13 -8.860 12.305 -7.682 1.00 0.00 C ATOM 158 CG GLU A 13 -8.880 13.495 -8.626 1.00 0.00 C ATOM 159 CD GLU A 13 -7.575 13.664 -9.379 1.00 0.00 C ATOM 160 OE1 GLU A 13 -7.446 13.084 -10.478 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.683 14.375 -8.871 1.00 0.00 O ATOM 0 H GLU A 13 -10.326 12.783 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.911 11.830 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.282 12.565 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.345 11.476 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.694 13.374 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.087 14.402 -8.057 1.00 0.00 H new ATOM 168 N ASP A 14 -10.846 9.493 -7.346 1.00 0.00 N ATOM 169 CA ASP A 14 -10.854 8.102 -6.907 1.00 0.00 C ATOM 170 C ASP A 14 -9.630 7.359 -7.433 1.00 0.00 C ATOM 171 O ASP A 14 -9.294 7.451 -8.614 1.00 0.00 O ATOM 172 CB ASP A 14 -12.131 7.404 -7.379 1.00 0.00 C ATOM 173 CG ASP A 14 -13.338 8.322 -7.348 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.706 8.782 -6.247 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.913 8.581 -8.426 1.00 0.00 O ATOM 0 H ASP A 14 -11.389 9.672 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.823 8.090 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.985 7.034 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.322 6.536 -6.748 1.00 0.00 H new ATOM 180 N VAL A 15 -8.966 6.623 -6.547 1.00 0.00 N ATOM 181 CA VAL A 15 -7.779 5.863 -6.921 1.00 0.00 C ATOM 182 C VAL A 15 -8.045 4.995 -8.146 1.00 0.00 C ATOM 183 O VAL A 15 -9.194 4.701 -8.474 1.00 0.00 O ATOM 184 CB VAL A 15 -7.298 4.967 -5.764 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.001 5.803 -4.529 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.332 3.895 -5.457 1.00 0.00 C ATOM 0 H VAL A 15 -9.230 6.537 -5.566 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.000 6.588 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.375 4.473 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.663 5.153 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.222 6.530 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.905 6.327 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.976 3.271 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.272 4.367 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.490 3.278 -6.341 1.00 0.00 H new ATOM 196 N LYS A 16 -6.974 4.587 -8.819 1.00 0.00 N ATOM 197 CA LYS A 16 -7.090 3.750 -10.007 1.00 0.00 C ATOM 198 C LYS A 16 -6.867 2.281 -9.662 1.00 0.00 C ATOM 199 O LYS A 16 -6.103 1.956 -8.754 1.00 0.00 O ATOM 200 CB LYS A 16 -6.081 4.194 -11.069 1.00 0.00 C ATOM 201 CG LYS A 16 -6.079 5.692 -11.316 1.00 0.00 C ATOM 202 CD LYS A 16 -7.422 6.173 -11.839 1.00 0.00 C ATOM 203 CE LYS A 16 -7.330 7.586 -12.396 1.00 0.00 C ATOM 204 NZ LYS A 16 -6.894 7.594 -13.820 1.00 0.00 N ATOM 0 H LYS A 16 -6.016 4.823 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.099 3.863 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.082 3.883 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.301 3.680 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.840 6.214 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.297 5.942 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.774 5.496 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.158 6.145 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.301 8.074 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.628 8.167 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.844 8.575 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.956 7.151 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.577 7.061 -14.395 1.00 0.00 H new ATOM 218 N ASN A 17 -7.539 1.397 -10.393 1.00 0.00 N ATOM 219 CA ASN A 17 -7.413 -0.037 -10.164 1.00 0.00 C ATOM 220 C ASN A 17 -5.953 -0.429 -9.953 1.00 0.00 C ATOM 221 O ASN A 17 -5.061 0.076 -10.634 1.00 0.00 O ATOM 222 CB ASN A 17 -7.995 -0.816 -11.345 1.00 0.00 C ATOM 223 CG ASN A 17 -7.642 -0.191 -12.681 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.475 -0.153 -13.071 1.00 0.00 O ATOM 225 ND2 ASN A 17 -8.651 0.302 -13.389 1.00 0.00 N ATOM 0 H ASN A 17 -8.176 1.649 -11.149 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.972 -0.285 -9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.626 -1.841 -11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.079 -0.865 -11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.474 0.734 -14.296 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.603 0.248 -13.026 1.00 0.00 H new ATOM 232 N GLN A 18 -5.720 -1.331 -9.005 1.00 0.00 N ATOM 233 CA GLN A 18 -4.368 -1.789 -8.704 1.00 0.00 C ATOM 234 C GLN A 18 -4.085 -3.128 -9.378 1.00 0.00 C ATOM 235 O GLN A 18 -4.972 -3.973 -9.497 1.00 0.00 O ATOM 236 CB GLN A 18 -4.175 -1.915 -7.192 1.00 0.00 C ATOM 237 CG GLN A 18 -2.728 -1.765 -6.750 1.00 0.00 C ATOM 238 CD GLN A 18 -2.109 -0.461 -7.212 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.985 -0.438 -7.716 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.839 0.635 -7.043 1.00 0.00 N ATOM 0 H GLN A 18 -6.448 -1.759 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.666 -1.051 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.779 -1.158 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.547 -2.886 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.676 -1.822 -5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.144 -2.598 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.765 0.571 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.473 1.541 -7.335 1.00 0.00 H new ATOM 249 N GLU A 19 -2.844 -3.313 -9.817 1.00 0.00 N ATOM 250 CA GLU A 19 -2.446 -4.549 -10.480 1.00 0.00 C ATOM 251 C GLU A 19 -0.936 -4.751 -10.393 1.00 0.00 C ATOM 252 O GLU A 19 -0.159 -3.848 -10.704 1.00 0.00 O ATOM 253 CB GLU A 19 -2.885 -4.532 -11.946 1.00 0.00 C ATOM 254 CG GLU A 19 -2.689 -5.861 -12.655 1.00 0.00 C ATOM 255 CD GLU A 19 -3.602 -6.022 -13.856 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.812 -5.747 -13.721 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.106 -6.423 -14.929 1.00 0.00 O ATOM 0 H GLU A 19 -2.098 -2.624 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.937 -5.378 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.938 -4.254 -11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.325 -3.761 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.651 -5.947 -12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.872 -6.674 -11.952 1.00 0.00 H new ATOM 264 N ALA A 20 -0.527 -5.942 -9.968 1.00 0.00 N ATOM 265 CA ALA A 20 0.889 -6.263 -9.841 1.00 0.00 C ATOM 266 C ALA A 20 1.093 -7.753 -9.592 1.00 0.00 C ATOM 267 O ALA A 20 0.363 -8.368 -8.815 1.00 0.00 O ATOM 268 CB ALA A 20 1.517 -5.448 -8.721 1.00 0.00 C ATOM 0 H ALA A 20 -1.157 -6.701 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 20 1.380 -6.007 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.575 -5.698 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.412 -4.386 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.015 -5.675 -7.780 1.00 0.00 H new ATOM 274 N ARG A 21 2.090 -8.328 -10.256 1.00 0.00 N ATOM 275 CA ARG A 21 2.389 -9.748 -10.108 1.00 0.00 C ATOM 276 C ARG A 21 2.783 -10.073 -8.670 1.00 0.00 C ATOM 277 O ARG A 21 3.305 -9.221 -7.952 1.00 0.00 O ATOM 278 CB ARG A 21 3.514 -10.156 -11.061 1.00 0.00 C ATOM 279 CG ARG A 21 4.813 -9.402 -10.828 1.00 0.00 C ATOM 280 CD ARG A 21 6.022 -10.246 -11.201 1.00 0.00 C ATOM 281 NE ARG A 21 7.138 -9.427 -11.666 1.00 0.00 N ATOM 282 CZ ARG A 21 7.274 -9.013 -12.921 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.368 -9.340 -13.832 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.318 -8.271 -13.267 1.00 0.00 N ATOM 0 H ARG A 21 2.705 -7.833 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 21 1.490 -10.311 -10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.700 -11.225 -10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.187 -9.991 -12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.813 -8.485 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.882 -9.109 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.337 -10.831 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.743 -10.955 -11.981 1.00 0.00 H new ATOM 0 HE ARG A 21 7.853 -9.158 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.564 -9.911 -13.570 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.475 -9.021 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.017 -8.018 -12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.421 -7.954 -14.231 1.00 0.00 H new ATOM 298 N GLU A 22 2.528 -11.311 -8.258 1.00 0.00 N ATOM 299 CA GLU A 22 2.854 -11.747 -6.905 1.00 0.00 C ATOM 300 C GLU A 22 4.263 -11.308 -6.517 1.00 0.00 C ATOM 301 O GLU A 22 5.131 -11.142 -7.373 1.00 0.00 O ATOM 302 CB GLU A 22 2.733 -13.268 -6.793 1.00 0.00 C ATOM 303 CG GLU A 22 1.357 -13.739 -6.352 1.00 0.00 C ATOM 304 CD GLU A 22 1.346 -15.194 -5.928 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.809 -16.046 -6.715 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.874 -15.482 -4.808 1.00 0.00 O ATOM 0 H GLU A 22 2.097 -12.029 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 22 2.145 -11.282 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.968 -13.715 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.477 -13.632 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.014 -13.120 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.650 -13.597 -7.169 1.00 0.00 H new ATOM 313 N GLY A 23 4.482 -11.121 -5.219 1.00 0.00 N ATOM 314 CA GLY A 23 5.786 -10.702 -4.739 1.00 0.00 C ATOM 315 C GLY A 23 6.136 -9.291 -5.168 1.00 0.00 C ATOM 316 O GLY A 23 7.310 -8.955 -5.322 1.00 0.00 O ATOM 0 H GLY A 23 3.780 -11.252 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.806 -10.763 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.545 -11.390 -5.111 1.00 0.00 H new ATOM 320 N ALA A 24 5.115 -8.463 -5.363 1.00 0.00 N ATOM 321 CA ALA A 24 5.320 -7.081 -5.777 1.00 0.00 C ATOM 322 C ALA A 24 4.820 -6.109 -4.713 1.00 0.00 C ATOM 323 O ALA A 24 4.406 -6.519 -3.628 1.00 0.00 O ATOM 324 CB ALA A 24 4.624 -6.818 -7.104 1.00 0.00 C ATOM 0 H ALA A 24 4.137 -8.726 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 24 6.391 -6.921 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.786 -5.782 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.032 -7.482 -7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.555 -7.002 -6.997 1.00 0.00 H new ATOM 330 N THR A 25 4.861 -4.819 -5.030 1.00 0.00 N ATOM 331 CA THR A 25 4.414 -3.789 -4.101 1.00 0.00 C ATOM 332 C THR A 25 3.388 -2.868 -4.753 1.00 0.00 C ATOM 333 O THR A 25 3.730 -2.048 -5.604 1.00 0.00 O ATOM 334 CB THR A 25 5.595 -2.943 -3.589 1.00 0.00 C ATOM 335 OG1 THR A 25 6.614 -3.796 -3.056 1.00 0.00 O ATOM 336 CG2 THR A 25 5.135 -1.964 -2.519 1.00 0.00 C ATOM 0 H THR A 25 5.199 -4.462 -5.924 1.00 0.00 H new ATOM 0 HA THR A 25 3.953 -4.303 -3.258 1.00 0.00 H new ATOM 0 HB THR A 25 5.999 -2.377 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.362 -3.251 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.986 -1.378 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.380 -1.297 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.709 -2.515 -1.681 1.00 0.00 H new ATOM 344 N ALA A 26 2.131 -3.009 -4.346 1.00 0.00 N ATOM 345 CA ALA A 26 1.056 -2.187 -4.889 1.00 0.00 C ATOM 346 C ALA A 26 1.153 -0.752 -4.383 1.00 0.00 C ATOM 347 O ALA A 26 1.750 -0.491 -3.339 1.00 0.00 O ATOM 348 CB ALA A 26 -0.297 -2.785 -4.533 1.00 0.00 C ATOM 0 H ALA A 26 1.832 -3.684 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 26 1.158 -2.169 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.090 -2.161 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.372 -3.789 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.399 -2.834 -3.449 1.00 0.00 H new ATOM 354 N VAL A 27 0.563 0.175 -5.131 1.00 0.00 N ATOM 355 CA VAL A 27 0.583 1.584 -4.757 1.00 0.00 C ATOM 356 C VAL A 27 -0.760 2.247 -5.043 1.00 0.00 C ATOM 357 O VAL A 27 -1.197 2.321 -6.192 1.00 0.00 O ATOM 358 CB VAL A 27 1.690 2.348 -5.507 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.793 3.777 -4.996 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.022 1.627 -5.370 1.00 0.00 C ATOM 0 H VAL A 27 0.066 -0.024 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 27 0.785 1.625 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 27 1.430 2.384 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.580 4.301 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.843 4.288 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.029 3.767 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.792 2.181 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.292 1.558 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.938 0.624 -5.789 1.00 0.00 H new ATOM 370 N LEU A 28 -1.412 2.729 -3.990 1.00 0.00 N ATOM 371 CA LEU A 28 -2.706 3.388 -4.127 1.00 0.00 C ATOM 372 C LEU A 28 -2.606 4.867 -3.767 1.00 0.00 C ATOM 373 O LEU A 28 -2.263 5.218 -2.639 1.00 0.00 O ATOM 374 CB LEU A 28 -3.745 2.704 -3.237 1.00 0.00 C ATOM 375 CG LEU A 28 -4.210 1.319 -3.690 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.594 0.466 -2.490 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.379 1.439 -4.657 1.00 0.00 C ATOM 0 H LEU A 28 -1.065 2.676 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.018 3.307 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.332 2.616 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.618 3.353 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.384 0.831 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.922 -0.516 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.731 0.352 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.404 0.950 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.697 0.444 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.208 1.947 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.071 2.012 -5.531 1.00 0.00 H new ATOM 389 N GLN A 29 -2.909 5.727 -4.733 1.00 0.00 N ATOM 390 CA GLN A 29 -2.854 7.168 -4.517 1.00 0.00 C ATOM 391 C GLN A 29 -4.221 7.806 -4.744 1.00 0.00 C ATOM 392 O GLN A 29 -4.952 7.420 -5.657 1.00 0.00 O ATOM 393 CB GLN A 29 -1.820 7.806 -5.447 1.00 0.00 C ATOM 394 CG GLN A 29 -0.401 7.317 -5.206 1.00 0.00 C ATOM 395 CD GLN A 29 0.609 7.983 -6.119 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.585 9.199 -6.308 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.505 7.187 -6.691 1.00 0.00 N ATOM 0 H GLN A 29 -3.195 5.452 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.559 7.343 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.096 7.598 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.849 8.888 -5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.127 7.506 -4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.363 6.238 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.488 6.184 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.210 7.579 -7.315 1.00 0.00 H new ATOM 406 N CYS A 30 -4.560 8.781 -3.908 1.00 0.00 N ATOM 407 CA CYS A 30 -5.840 9.471 -4.017 1.00 0.00 C ATOM 408 C CYS A 30 -5.684 10.957 -3.710 1.00 0.00 C ATOM 409 O CYS A 30 -4.583 11.432 -3.436 1.00 0.00 O ATOM 410 CB CYS A 30 -6.862 8.846 -3.067 1.00 0.00 C ATOM 411 SG CYS A 30 -6.753 9.448 -1.365 1.00 0.00 S ATOM 0 H CYS A 30 -3.966 9.111 -3.147 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.196 9.366 -5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.864 9.044 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.729 7.764 -3.068 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.915 9.890 -0.986 1.00 0.00 H new ATOM 417 N GLU A 31 -6.795 11.686 -3.760 1.00 0.00 N ATOM 418 CA GLU A 31 -6.781 13.119 -3.490 1.00 0.00 C ATOM 419 C GLU A 31 -8.044 13.545 -2.747 1.00 0.00 C ATOM 420 O GLU A 31 -9.059 12.848 -2.775 1.00 0.00 O ATOM 421 CB GLU A 31 -6.654 13.905 -4.796 1.00 0.00 C ATOM 422 CG GLU A 31 -6.031 15.280 -4.621 1.00 0.00 C ATOM 423 CD GLU A 31 -5.480 15.840 -5.917 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.571 15.211 -6.498 1.00 0.00 O ATOM 425 OE2 GLU A 31 -5.959 16.909 -6.352 1.00 0.00 O ATOM 0 H GLU A 31 -7.715 11.308 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.919 13.336 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.052 13.330 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.643 14.017 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.779 15.965 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.229 15.220 -3.885 1.00 0.00 H new ATOM 432 N LEU A 32 -7.973 14.693 -2.083 1.00 0.00 N ATOM 433 CA LEU A 32 -9.110 15.214 -1.331 1.00 0.00 C ATOM 434 C LEU A 32 -9.317 16.698 -1.615 1.00 0.00 C ATOM 435 O LEU A 32 -8.358 17.438 -1.832 1.00 0.00 O ATOM 436 CB LEU A 32 -8.899 14.994 0.168 1.00 0.00 C ATOM 437 CG LEU A 32 -8.744 13.540 0.617 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.857 13.455 1.850 1.00 0.00 C ATOM 439 CD2 LEU A 32 -10.105 12.919 0.893 1.00 0.00 C ATOM 0 H LEU A 32 -7.140 15.281 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.002 14.675 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.010 15.545 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.744 15.430 0.702 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.268 12.979 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.758 12.413 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.872 13.861 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.305 14.030 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.975 11.885 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.608 13.480 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.708 12.946 -0.014 1.00 0.00 H new ATOM 451 N ASN A 33 -10.575 17.127 -1.609 1.00 0.00 N ATOM 452 CA ASN A 33 -10.907 18.524 -1.864 1.00 0.00 C ATOM 453 C ASN A 33 -10.407 19.417 -0.732 1.00 0.00 C ATOM 454 O ASN A 33 -10.337 20.638 -0.876 1.00 0.00 O ATOM 455 CB ASN A 33 -12.419 18.688 -2.028 1.00 0.00 C ATOM 456 CG ASN A 33 -13.116 18.979 -0.713 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.874 18.136 0.284 1.00 0.00 O flip ATOM 458 ND2 ASN A 33 -13.861 19.952 -0.594 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.381 16.528 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.413 18.827 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.620 19.498 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.835 17.779 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.018 20.574 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.321 20.136 0.298 1.00 0.00 H new ATOM 465 N SER A 34 -10.061 18.800 0.393 1.00 0.00 N ATOM 466 CA SER A 34 -9.571 19.539 1.551 1.00 0.00 C ATOM 467 C SER A 34 -8.588 18.696 2.357 1.00 0.00 C ATOM 468 O SER A 34 -8.805 17.503 2.570 1.00 0.00 O ATOM 469 CB SER A 34 -10.739 19.969 2.440 1.00 0.00 C ATOM 470 OG SER A 34 -11.044 18.973 3.400 1.00 0.00 O ATOM 0 H SER A 34 -10.111 17.790 0.527 1.00 0.00 H new ATOM 0 HA SER A 34 -9.052 20.427 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.490 20.902 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.616 20.165 1.823 1.00 0.00 H new ATOM 0 HG SER A 34 -11.793 19.273 3.956 1.00 0.00 H new ATOM 476 N ALA A 35 -7.505 19.325 2.802 1.00 0.00 N ATOM 477 CA ALA A 35 -6.488 18.635 3.586 1.00 0.00 C ATOM 478 C ALA A 35 -7.112 17.897 4.766 1.00 0.00 C ATOM 479 O ALA A 35 -7.644 18.517 5.686 1.00 0.00 O ATOM 480 CB ALA A 35 -5.438 19.621 4.073 1.00 0.00 C ATOM 0 H ALA A 35 -7.309 20.312 2.633 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.007 17.898 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.685 19.092 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.963 20.099 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.912 20.380 4.695 1.00 0.00 H new ATOM 486 N ALA A 36 -7.043 16.571 4.732 1.00 0.00 N ATOM 487 CA ALA A 36 -7.600 15.749 5.800 1.00 0.00 C ATOM 488 C ALA A 36 -7.020 14.340 5.767 1.00 0.00 C ATOM 489 O ALA A 36 -6.592 13.842 4.726 1.00 0.00 O ATOM 490 CB ALA A 36 -9.117 15.700 5.691 1.00 0.00 C ATOM 0 H ALA A 36 -6.607 16.042 3.977 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.329 16.203 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.520 15.083 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.520 16.709 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.399 15.272 4.729 1.00 0.00 H new ATOM 496 N PRO A 37 -7.002 13.679 6.935 1.00 0.00 N ATOM 497 CA PRO A 37 -6.476 12.317 7.066 1.00 0.00 C ATOM 498 C PRO A 37 -7.365 11.284 6.382 1.00 0.00 C ATOM 499 O PRO A 37 -8.449 11.607 5.896 1.00 0.00 O ATOM 500 CB PRO A 37 -6.457 12.088 8.579 1.00 0.00 C ATOM 501 CG PRO A 37 -7.503 13.004 9.114 1.00 0.00 C ATOM 502 CD PRO A 37 -7.496 14.211 8.216 1.00 0.00 C ATOM 0 HA PRO A 37 -5.500 12.210 6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.677 11.049 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.478 12.315 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.481 12.523 9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.287 13.284 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.492 14.643 8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.846 14.996 8.603 1.00 0.00 H new ATOM 510 N VAL A 38 -6.900 10.039 6.349 1.00 0.00 N ATOM 511 CA VAL A 38 -7.655 8.958 5.726 1.00 0.00 C ATOM 512 C VAL A 38 -7.228 7.602 6.276 1.00 0.00 C ATOM 513 O VAL A 38 -6.307 7.513 7.088 1.00 0.00 O ATOM 514 CB VAL A 38 -7.476 8.958 4.196 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.948 10.276 3.603 1.00 0.00 C ATOM 516 CG2 VAL A 38 -6.024 8.688 3.829 1.00 0.00 C ATOM 0 H VAL A 38 -6.005 9.754 6.746 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.705 9.128 5.962 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.087 8.159 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.814 10.257 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.003 10.422 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.366 11.095 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.916 8.692 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.390 9.463 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.725 7.716 4.220 1.00 0.00 H new ATOM 526 N GLU A 39 -7.903 6.548 5.828 1.00 0.00 N ATOM 527 CA GLU A 39 -7.592 5.196 6.277 1.00 0.00 C ATOM 528 C GLU A 39 -7.736 4.196 5.133 1.00 0.00 C ATOM 529 O GLU A 39 -8.762 4.157 4.454 1.00 0.00 O ATOM 530 CB GLU A 39 -8.509 4.796 7.435 1.00 0.00 C ATOM 531 CG GLU A 39 -8.307 3.365 7.906 1.00 0.00 C ATOM 532 CD GLU A 39 -6.846 2.962 7.936 1.00 0.00 C ATOM 533 OE1 GLU A 39 -6.072 3.588 8.690 1.00 0.00 O ATOM 534 OE2 GLU A 39 -6.476 2.019 7.204 1.00 0.00 O ATOM 0 H GLU A 39 -8.668 6.604 5.155 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.557 5.184 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.339 5.473 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.547 4.925 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.732 3.251 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.853 2.689 7.248 1.00 0.00 H new ATOM 541 N TRP A 40 -6.700 3.391 4.925 1.00 0.00 N ATOM 542 CA TRP A 40 -6.709 2.392 3.863 1.00 0.00 C ATOM 543 C TRP A 40 -7.213 1.050 4.382 1.00 0.00 C ATOM 544 O TRP A 40 -6.544 0.391 5.178 1.00 0.00 O ATOM 545 CB TRP A 40 -5.307 2.231 3.274 1.00 0.00 C ATOM 546 CG TRP A 40 -4.828 3.446 2.540 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.105 4.484 3.056 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.039 3.751 1.157 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.854 5.415 2.078 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.415 4.989 0.903 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.691 3.098 0.108 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.428 5.584 -0.355 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.703 3.690 -1.141 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.074 4.923 -1.364 1.00 0.00 C ATOM 0 H TRP A 40 -5.843 3.411 5.478 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.386 2.735 3.081 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.607 2.002 4.078 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.302 1.379 2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.779 4.561 4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.334 6.283 2.206 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.177 2.147 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.945 6.534 -0.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.205 3.195 -1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.100 5.360 -2.351 1.00 0.00 H new ATOM 565 N ARG A 41 -8.397 0.651 3.928 1.00 0.00 N ATOM 566 CA ARG A 41 -8.991 -0.612 4.348 1.00 0.00 C ATOM 567 C ARG A 41 -8.732 -1.705 3.315 1.00 0.00 C ATOM 568 O ARG A 41 -8.089 -1.468 2.292 1.00 0.00 O ATOM 569 CB ARG A 41 -10.496 -0.446 4.565 1.00 0.00 C ATOM 570 CG ARG A 41 -10.856 0.725 5.464 1.00 0.00 C ATOM 571 CD ARG A 41 -12.342 1.044 5.395 1.00 0.00 C ATOM 572 NE ARG A 41 -12.810 1.735 6.594 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.067 2.122 6.775 1.00 0.00 C ATOM 574 NH1 ARG A 41 -14.978 1.887 5.841 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.416 2.745 7.893 1.00 0.00 N ATOM 0 H ARG A 41 -8.964 1.185 3.269 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.526 -0.908 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.981 -0.313 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.895 -1.363 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.580 0.494 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.280 1.602 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.540 1.663 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.905 0.120 5.266 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.134 1.931 7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.714 1.408 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.943 2.186 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.718 2.927 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.382 3.042 8.031 1.00 0.00 H new ATOM 589 N LYS A 42 -9.236 -2.903 3.590 1.00 0.00 N ATOM 590 CA LYS A 42 -9.061 -4.033 2.685 1.00 0.00 C ATOM 591 C LYS A 42 -10.063 -5.140 2.998 1.00 0.00 C ATOM 592 O LYS A 42 -10.272 -5.491 4.158 1.00 0.00 O ATOM 593 CB LYS A 42 -7.635 -4.577 2.786 1.00 0.00 C ATOM 594 CG LYS A 42 -7.314 -5.639 1.749 1.00 0.00 C ATOM 595 CD LYS A 42 -7.736 -7.022 2.217 1.00 0.00 C ATOM 596 CE LYS A 42 -7.398 -8.087 1.185 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.143 -9.411 1.818 1.00 0.00 N ATOM 0 H LYS A 42 -9.769 -3.117 4.433 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.238 -3.684 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.932 -3.751 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.484 -4.996 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.820 -5.400 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.244 -5.635 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.239 -7.256 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.808 -7.030 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.219 -8.177 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.518 -7.779 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.916 -10.110 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.344 -9.332 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.991 -9.717 2.336 1.00 0.00 H new ATOM 611 N GLY A 43 -10.678 -5.688 1.954 1.00 0.00 N ATOM 612 CA GLY A 43 -11.648 -6.751 2.139 1.00 0.00 C ATOM 613 C GLY A 43 -12.450 -6.588 3.415 1.00 0.00 C ATOM 614 O GLY A 43 -12.725 -7.565 4.112 1.00 0.00 O ATOM 0 H GLY A 43 -10.522 -5.415 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.327 -6.771 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.132 -7.711 2.158 1.00 0.00 H new ATOM 618 N SER A 44 -12.825 -5.351 3.723 1.00 0.00 N ATOM 619 CA SER A 44 -13.596 -5.063 4.927 1.00 0.00 C ATOM 620 C SER A 44 -12.712 -5.137 6.168 1.00 0.00 C ATOM 621 O SER A 44 -13.073 -5.764 7.163 1.00 0.00 O ATOM 622 CB SER A 44 -14.762 -6.044 5.058 1.00 0.00 C ATOM 623 OG SER A 44 -15.737 -5.558 5.965 1.00 0.00 O ATOM 0 H SER A 44 -12.608 -4.532 3.156 1.00 0.00 H new ATOM 0 HA SER A 44 -13.991 -4.050 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.218 -6.205 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.392 -7.010 5.400 1.00 0.00 H new ATOM 0 HG SER A 44 -15.321 -5.400 6.838 1.00 0.00 H new ATOM 629 N GLU A 45 -11.551 -4.491 6.100 1.00 0.00 N ATOM 630 CA GLU A 45 -10.615 -4.485 7.218 1.00 0.00 C ATOM 631 C GLU A 45 -9.789 -3.202 7.229 1.00 0.00 C ATOM 632 O GLU A 45 -9.522 -2.613 6.181 1.00 0.00 O ATOM 633 CB GLU A 45 -9.689 -5.700 7.143 1.00 0.00 C ATOM 634 CG GLU A 45 -8.365 -5.415 6.453 1.00 0.00 C ATOM 635 CD GLU A 45 -7.469 -6.636 6.383 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.579 -7.398 5.400 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.657 -6.829 7.312 1.00 0.00 O ATOM 0 H GLU A 45 -11.237 -3.966 5.284 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.192 -4.533 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.493 -6.059 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.200 -6.503 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.557 -5.051 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.846 -4.618 6.986 1.00 0.00 H new ATOM 644 N THR A 46 -9.387 -2.773 8.421 1.00 0.00 N ATOM 645 CA THR A 46 -8.594 -1.560 8.570 1.00 0.00 C ATOM 646 C THR A 46 -7.102 -1.874 8.555 1.00 0.00 C ATOM 647 O THR A 46 -6.619 -2.679 9.352 1.00 0.00 O ATOM 648 CB THR A 46 -8.938 -0.820 9.876 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.355 -0.636 9.976 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.242 0.531 9.932 1.00 0.00 C ATOM 0 H THR A 46 -9.598 -3.249 9.298 1.00 0.00 H new ATOM 0 HA THR A 46 -8.837 -0.918 7.723 1.00 0.00 H new ATOM 0 HB THR A 46 -8.590 -1.425 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.566 -0.166 10.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.500 1.035 10.863 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.163 0.386 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.564 1.141 9.088 1.00 0.00 H new ATOM 658 N LEU A 47 -6.376 -1.232 7.646 1.00 0.00 N ATOM 659 CA LEU A 47 -4.938 -1.442 7.529 1.00 0.00 C ATOM 660 C LEU A 47 -4.169 -0.445 8.390 1.00 0.00 C ATOM 661 O LEU A 47 -4.728 0.550 8.854 1.00 0.00 O ATOM 662 CB LEU A 47 -4.501 -1.313 6.068 1.00 0.00 C ATOM 663 CG LEU A 47 -5.371 -2.040 5.041 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.040 -1.570 3.633 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.189 -3.546 5.159 1.00 0.00 C ATOM 0 H LEU A 47 -6.760 -0.562 6.980 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.714 -2.448 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.476 -0.254 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.481 -1.687 5.980 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.415 -1.803 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.669 -2.098 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.222 -0.498 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.992 -1.777 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.815 -4.047 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.144 -3.801 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.477 -3.870 6.159 1.00 0.00 H new ATOM 677 N ARG A 48 -2.886 -0.717 8.599 1.00 0.00 N ATOM 678 CA ARG A 48 -2.040 0.156 9.405 1.00 0.00 C ATOM 679 C ARG A 48 -0.640 0.260 8.807 1.00 0.00 C ATOM 680 O ARG A 48 -0.125 -0.703 8.238 1.00 0.00 O ATOM 681 CB ARG A 48 -1.956 -0.363 10.841 1.00 0.00 C ATOM 682 CG ARG A 48 -3.302 -0.429 11.545 1.00 0.00 C ATOM 683 CD ARG A 48 -3.749 0.944 12.022 1.00 0.00 C ATOM 684 NE ARG A 48 -5.085 0.910 12.611 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.517 1.794 13.504 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.723 2.775 13.909 1.00 0.00 N ATOM 687 NH2 ARG A 48 -6.747 1.697 13.994 1.00 0.00 N ATOM 0 H ARG A 48 -2.408 -1.535 8.221 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.488 1.150 9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.510 -1.358 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.288 0.281 11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.049 -0.841 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.236 -1.107 12.396 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.038 1.322 12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.740 1.640 11.183 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.721 0.167 12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.777 2.853 13.535 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.058 3.452 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.361 0.943 13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.078 2.376 14.679 1.00 0.00 H new ATOM 701 N ASP A 49 -0.031 1.433 8.940 1.00 0.00 N ATOM 702 CA ASP A 49 1.309 1.662 8.414 1.00 0.00 C ATOM 703 C ASP A 49 2.347 0.877 9.210 1.00 0.00 C ATOM 704 O ASP A 49 2.301 0.835 10.439 1.00 0.00 O ATOM 705 CB ASP A 49 1.645 3.154 8.448 1.00 0.00 C ATOM 706 CG ASP A 49 3.136 3.410 8.547 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.731 3.056 9.587 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.708 3.963 7.585 1.00 0.00 O ATOM 0 H ASP A 49 -0.444 2.240 9.408 1.00 0.00 H new ATOM 0 HA ASP A 49 1.331 1.315 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.256 3.631 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.143 3.617 9.297 1.00 0.00 H new ATOM 713 N GLY A 50 3.284 0.254 8.500 1.00 0.00 N ATOM 714 CA GLY A 50 4.319 -0.522 9.157 1.00 0.00 C ATOM 715 C GLY A 50 5.429 -0.929 8.208 1.00 0.00 C ATOM 716 O GLY A 50 5.813 -0.161 7.326 1.00 0.00 O ATOM 0 H GLY A 50 3.344 0.273 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.741 0.061 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.875 -1.415 9.597 1.00 0.00 H new ATOM 720 N ASP A 51 5.946 -2.139 8.389 1.00 0.00 N ATOM 721 CA ASP A 51 7.019 -2.646 7.542 1.00 0.00 C ATOM 722 C ASP A 51 6.496 -2.997 6.153 1.00 0.00 C ATOM 723 O ASP A 51 6.992 -2.491 5.146 1.00 0.00 O ATOM 724 CB ASP A 51 7.665 -3.876 8.182 1.00 0.00 C ATOM 725 CG ASP A 51 9.136 -4.004 7.837 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.742 -2.986 7.441 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.680 -5.121 7.960 1.00 0.00 O ATOM 0 H ASP A 51 5.639 -2.787 9.115 1.00 0.00 H new ATOM 0 HA ASP A 51 7.769 -1.862 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.552 -3.820 9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.138 -4.772 7.853 1.00 0.00 H new ATOM 732 N ARG A 52 5.491 -3.865 6.106 1.00 0.00 N ATOM 733 CA ARG A 52 4.901 -4.284 4.840 1.00 0.00 C ATOM 734 C ARG A 52 4.034 -3.176 4.251 1.00 0.00 C ATOM 735 O ARG A 52 4.112 -2.881 3.058 1.00 0.00 O ATOM 736 CB ARG A 52 4.066 -5.551 5.037 1.00 0.00 C ATOM 737 CG ARG A 52 4.898 -6.816 5.166 1.00 0.00 C ATOM 738 CD ARG A 52 4.061 -8.061 4.921 1.00 0.00 C ATOM 739 NE ARG A 52 4.627 -9.239 5.573 1.00 0.00 N ATOM 740 CZ ARG A 52 3.911 -10.303 5.918 1.00 0.00 C ATOM 741 NH1 ARG A 52 2.609 -10.338 5.674 1.00 0.00 N ATOM 742 NH2 ARG A 52 4.499 -11.337 6.508 1.00 0.00 N ATOM 0 H ARG A 52 5.068 -4.292 6.930 1.00 0.00 H new ATOM 0 HA ARG A 52 5.711 -4.496 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.454 -5.437 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.383 -5.660 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.722 -6.785 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.339 -6.863 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.048 -7.895 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.985 -8.242 3.849 1.00 0.00 H new ATOM 0 HE ARG A 52 5.627 -9.245 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.154 -9.546 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.062 -11.157 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.501 -11.314 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.949 -12.154 6.773 1.00 0.00 H new ATOM 756 N TYR A 53 3.208 -2.567 5.094 1.00 0.00 N ATOM 757 CA TYR A 53 2.324 -1.493 4.656 1.00 0.00 C ATOM 758 C TYR A 53 2.979 -0.131 4.860 1.00 0.00 C ATOM 759 O TYR A 53 3.844 0.033 5.720 1.00 0.00 O ATOM 760 CB TYR A 53 0.998 -1.554 5.417 1.00 0.00 C ATOM 761 CG TYR A 53 0.188 -2.796 5.124 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.364 -3.956 5.867 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.756 -2.808 4.103 1.00 0.00 C ATOM 764 CE1 TYR A 53 -0.374 -5.093 5.602 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.499 -3.940 3.832 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.304 -5.080 4.584 1.00 0.00 C ATOM 767 OH TYR A 53 -2.043 -6.211 4.317 1.00 0.00 O ATOM 0 H TYR A 53 3.132 -2.798 6.084 1.00 0.00 H new ATOM 0 HA TYR A 53 2.131 -1.626 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.200 -1.507 6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.404 -0.675 5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.091 -3.969 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.911 -1.917 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.224 -5.987 6.189 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.229 -3.933 3.036 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.653 -6.034 3.571 1.00 0.00 H new ATOM 777 N SER A 54 2.559 0.846 4.062 1.00 0.00 N ATOM 778 CA SER A 54 3.105 2.195 4.151 1.00 0.00 C ATOM 779 C SER A 54 2.049 3.234 3.791 1.00 0.00 C ATOM 780 O SER A 54 1.712 3.415 2.620 1.00 0.00 O ATOM 781 CB SER A 54 4.316 2.340 3.226 1.00 0.00 C ATOM 782 OG SER A 54 5.147 1.194 3.291 1.00 0.00 O ATOM 0 H SER A 54 1.842 0.728 3.346 1.00 0.00 H new ATOM 0 HA SER A 54 3.420 2.365 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.978 2.491 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.888 3.224 3.506 1.00 0.00 H new ATOM 0 HG SER A 54 5.912 1.310 2.690 1.00 0.00 H new ATOM 788 N LEU A 55 1.528 3.916 4.806 1.00 0.00 N ATOM 789 CA LEU A 55 0.509 4.938 4.598 1.00 0.00 C ATOM 790 C LEU A 55 1.124 6.334 4.621 1.00 0.00 C ATOM 791 O LEU A 55 1.448 6.863 5.685 1.00 0.00 O ATOM 792 CB LEU A 55 -0.577 4.830 5.670 1.00 0.00 C ATOM 793 CG LEU A 55 -1.519 3.631 5.553 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.772 2.336 5.831 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.697 3.783 6.503 1.00 0.00 C ATOM 0 H LEU A 55 1.795 3.779 5.781 1.00 0.00 H new ATOM 0 HA LEU A 55 0.061 4.774 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.093 4.793 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.176 5.741 5.645 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.903 3.594 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.458 1.494 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.038 2.221 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.359 2.364 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.356 2.921 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.332 3.847 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.248 4.691 6.257 1.00 0.00 H new ATOM 807 N ARG A 56 1.282 6.925 3.441 1.00 0.00 N ATOM 808 CA ARG A 56 1.858 8.259 3.326 1.00 0.00 C ATOM 809 C ARG A 56 0.790 9.281 2.947 1.00 0.00 C ATOM 810 O ARG A 56 -0.345 8.920 2.636 1.00 0.00 O ATOM 811 CB ARG A 56 2.979 8.266 2.285 1.00 0.00 C ATOM 812 CG ARG A 56 4.222 7.510 2.723 1.00 0.00 C ATOM 813 CD ARG A 56 5.191 7.315 1.568 1.00 0.00 C ATOM 814 NE ARG A 56 6.027 8.492 1.351 1.00 0.00 N ATOM 815 CZ ARG A 56 5.653 9.534 0.616 1.00 0.00 C ATOM 816 NH1 ARG A 56 4.463 9.544 0.032 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.470 10.569 0.466 1.00 0.00 N ATOM 0 H ARG A 56 1.019 6.501 2.551 1.00 0.00 H new ATOM 0 HA ARG A 56 2.272 8.534 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.606 7.829 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.251 9.298 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.717 8.056 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.935 6.539 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.825 6.452 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.632 7.095 0.659 1.00 0.00 H new ATOM 0 HE ARG A 56 6.949 8.516 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.832 8.751 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.178 10.345 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.386 10.565 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.182 11.368 -0.098 1.00 0.00 H new ATOM 831 N GLN A 57 1.162 10.557 2.976 1.00 0.00 N ATOM 832 CA GLN A 57 0.236 11.631 2.636 1.00 0.00 C ATOM 833 C GLN A 57 0.959 12.971 2.566 1.00 0.00 C ATOM 834 O GLN A 57 1.880 13.233 3.339 1.00 0.00 O ATOM 835 CB GLN A 57 -0.895 11.701 3.664 1.00 0.00 C ATOM 836 CG GLN A 57 -1.957 12.737 3.330 1.00 0.00 C ATOM 837 CD GLN A 57 -2.691 13.236 4.559 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.073 13.638 5.545 1.00 0.00 O ATOM 839 NE2 GLN A 57 -4.018 13.214 4.506 1.00 0.00 N ATOM 0 H GLN A 57 2.098 10.872 3.231 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.187 11.416 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.366 10.721 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.472 11.929 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.489 13.581 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.675 12.304 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.489 12.873 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.566 13.539 5.303 1.00 0.00 H new ATOM 848 N ASP A 58 0.536 13.817 1.633 1.00 0.00 N ATOM 849 CA ASP A 58 1.143 15.132 1.461 1.00 0.00 C ATOM 850 C ASP A 58 0.073 16.208 1.301 1.00 0.00 C ATOM 851 O ASP A 58 -0.253 16.613 0.186 1.00 0.00 O ATOM 852 CB ASP A 58 2.072 15.134 0.246 1.00 0.00 C ATOM 853 CG ASP A 58 3.204 16.132 0.385 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.874 16.128 1.439 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.422 16.917 -0.562 1.00 0.00 O ATOM 0 H ASP A 58 -0.225 13.616 0.984 1.00 0.00 H new ATOM 0 HA ASP A 58 1.726 15.355 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.487 14.136 0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.495 15.366 -0.649 1.00 0.00 H new ATOM 860 N GLY A 59 -0.471 16.666 2.424 1.00 0.00 N ATOM 861 CA GLY A 59 -1.500 17.690 2.386 1.00 0.00 C ATOM 862 C GLY A 59 -2.878 17.117 2.119 1.00 0.00 C ATOM 863 O GLY A 59 -3.594 16.741 3.047 1.00 0.00 O ATOM 0 H GLY A 59 -0.218 16.347 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.510 18.226 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.256 18.417 1.612 1.00 0.00 H new ATOM 867 N THR A 60 -3.252 17.052 0.845 1.00 0.00 N ATOM 868 CA THR A 60 -4.555 16.525 0.457 1.00 0.00 C ATOM 869 C THR A 60 -4.418 15.167 -0.223 1.00 0.00 C ATOM 870 O THR A 60 -5.353 14.366 -0.227 1.00 0.00 O ATOM 871 CB THR A 60 -5.292 17.489 -0.491 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.416 17.906 -1.544 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.800 18.708 0.265 1.00 0.00 C ATOM 0 H THR A 60 -2.671 17.358 0.064 1.00 0.00 H new ATOM 0 HA THR A 60 -5.136 16.413 1.372 1.00 0.00 H new ATOM 0 HB THR A 60 -6.146 16.963 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.893 18.517 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.317 19.375 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.489 18.390 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.958 19.234 0.715 1.00 0.00 H new ATOM 881 N LYS A 61 -3.247 14.914 -0.798 1.00 0.00 N ATOM 882 CA LYS A 61 -2.986 13.652 -1.480 1.00 0.00 C ATOM 883 C LYS A 61 -2.601 12.564 -0.483 1.00 0.00 C ATOM 884 O LYS A 61 -2.062 12.852 0.587 1.00 0.00 O ATOM 885 CB LYS A 61 -1.872 13.829 -2.514 1.00 0.00 C ATOM 886 CG LYS A 61 -2.340 14.470 -3.809 1.00 0.00 C ATOM 887 CD LYS A 61 -1.294 14.342 -4.904 1.00 0.00 C ATOM 888 CE LYS A 61 -1.385 15.490 -5.898 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.106 16.803 -5.254 1.00 0.00 N ATOM 0 H LYS A 61 -2.463 15.567 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.900 13.346 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.080 14.440 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.437 12.855 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.268 14.000 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.560 15.523 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.299 14.323 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.427 13.395 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.676 15.325 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.380 15.508 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.714 17.459 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.989 17.195 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.420 16.673 -4.483 1.00 0.00 H new ATOM 903 N CYS A 62 -2.879 11.315 -0.840 1.00 0.00 N ATOM 904 CA CYS A 62 -2.560 10.184 0.024 1.00 0.00 C ATOM 905 C CYS A 62 -1.804 9.107 -0.747 1.00 0.00 C ATOM 906 O CYS A 62 -1.689 9.172 -1.971 1.00 0.00 O ATOM 907 CB CYS A 62 -3.839 9.597 0.622 1.00 0.00 C ATOM 908 SG CYS A 62 -4.875 10.805 1.480 1.00 0.00 S ATOM 0 H CYS A 62 -3.324 11.060 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.921 10.543 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.422 9.136 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.570 8.804 1.320 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.016 10.912 0.866 1.00 0.00 H new ATOM 914 N GLU A 63 -1.289 8.119 -0.023 1.00 0.00 N ATOM 915 CA GLU A 63 -0.542 7.029 -0.640 1.00 0.00 C ATOM 916 C GLU A 63 -0.492 5.813 0.281 1.00 0.00 C ATOM 917 O GLU A 63 -0.282 5.942 1.488 1.00 0.00 O ATOM 918 CB GLU A 63 0.879 7.484 -0.978 1.00 0.00 C ATOM 919 CG GLU A 63 1.812 6.343 -1.348 1.00 0.00 C ATOM 920 CD GLU A 63 3.039 6.814 -2.104 1.00 0.00 C ATOM 921 OE1 GLU A 63 2.875 7.407 -3.191 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.164 6.589 -1.610 1.00 0.00 O ATOM 0 H GLU A 63 -1.375 8.051 0.991 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.055 6.746 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.838 8.191 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.293 8.018 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.125 5.826 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.271 5.619 -1.957 1.00 0.00 H new ATOM 929 N LEU A 64 -0.688 4.633 -0.296 1.00 0.00 N ATOM 930 CA LEU A 64 -0.667 3.393 0.471 1.00 0.00 C ATOM 931 C LEU A 64 -0.019 2.268 -0.330 1.00 0.00 C ATOM 932 O LEU A 64 -0.454 1.951 -1.436 1.00 0.00 O ATOM 933 CB LEU A 64 -2.088 2.995 0.874 1.00 0.00 C ATOM 934 CG LEU A 64 -2.239 1.626 1.539 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.440 0.542 0.492 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.025 1.317 2.404 1.00 0.00 C ATOM 0 H LEU A 64 -0.863 4.509 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.075 3.561 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.477 3.752 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.716 3.015 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.121 1.650 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.545 -0.425 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.340 0.755 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.579 0.517 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.149 0.339 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.128 1.312 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.927 2.078 3.178 1.00 0.00 H new ATOM 948 N GLN A 65 1.021 1.667 0.239 1.00 0.00 N ATOM 949 CA GLN A 65 1.728 0.576 -0.422 1.00 0.00 C ATOM 950 C GLN A 65 1.551 -0.730 0.345 1.00 0.00 C ATOM 951 O GLN A 65 1.363 -0.726 1.561 1.00 0.00 O ATOM 952 CB GLN A 65 3.215 0.908 -0.552 1.00 0.00 C ATOM 953 CG GLN A 65 3.563 1.656 -1.829 1.00 0.00 C ATOM 954 CD GLN A 65 5.049 1.922 -1.963 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.783 1.129 -2.555 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.502 3.043 -1.414 1.00 0.00 N ATOM 0 H GLN A 65 1.393 1.917 1.155 1.00 0.00 H new ATOM 0 HA GLN A 65 1.303 0.452 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.521 1.508 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.790 -0.017 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.222 1.078 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.025 2.604 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.859 3.672 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.493 3.276 -1.473 1.00 0.00 H new ATOM 965 N ILE A 66 1.613 -1.846 -0.375 1.00 0.00 N ATOM 966 CA ILE A 66 1.460 -3.159 0.238 1.00 0.00 C ATOM 967 C ILE A 66 2.604 -4.087 -0.158 1.00 0.00 C ATOM 968 O ILE A 66 2.543 -4.760 -1.186 1.00 0.00 O ATOM 969 CB ILE A 66 0.124 -3.813 -0.157 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.045 -2.893 0.200 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.029 -5.163 0.529 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.266 -3.101 -0.669 1.00 0.00 C ATOM 0 H ILE A 66 1.768 -1.866 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 66 1.475 -3.007 1.317 1.00 0.00 H new ATOM 0 HB ILE A 66 0.120 -3.973 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.319 -3.055 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.720 -1.856 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.979 -5.613 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.789 -5.818 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.007 -5.026 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.054 -2.415 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.008 -2.910 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.616 -4.128 -0.564 1.00 0.00 H new ATOM 984 N ARG A 67 3.646 -4.118 0.667 1.00 0.00 N ATOM 985 CA ARG A 67 4.804 -4.963 0.404 1.00 0.00 C ATOM 986 C ARG A 67 4.507 -6.418 0.759 1.00 0.00 C ATOM 987 O ARG A 67 4.081 -6.721 1.873 1.00 0.00 O ATOM 988 CB ARG A 67 6.014 -4.470 1.199 1.00 0.00 C ATOM 989 CG ARG A 67 6.739 -3.305 0.544 1.00 0.00 C ATOM 990 CD ARG A 67 7.862 -2.781 1.426 1.00 0.00 C ATOM 991 NE ARG A 67 8.881 -3.797 1.676 1.00 0.00 N ATOM 992 CZ ARG A 67 9.739 -4.220 0.754 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.701 -3.717 -0.472 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.638 -5.147 1.059 1.00 0.00 N ATOM 0 H ARG A 67 3.711 -3.567 1.523 1.00 0.00 H new ATOM 0 HA ARG A 67 5.030 -4.905 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.686 -4.170 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.714 -5.296 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.147 -3.622 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.030 -2.502 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.323 -1.915 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.449 -2.441 2.375 1.00 0.00 H new ATOM 0 HE ARG A 67 8.937 -4.204 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.012 -3.003 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.361 -4.044 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.671 -5.535 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.296 -5.471 0.351 1.00 0.00 H new ATOM 1008 N GLY A 68 4.735 -7.313 -0.197 1.00 0.00 N ATOM 1009 CA GLY A 68 4.486 -8.724 0.034 1.00 0.00 C ATOM 1010 C GLY A 68 3.174 -9.187 -0.566 1.00 0.00 C ATOM 1011 O GLY A 68 2.427 -9.940 0.061 1.00 0.00 O ATOM 0 H GLY A 68 5.088 -7.086 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.302 -9.308 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.480 -8.918 1.107 1.00 0.00 H new ATOM 1015 N LEU A 69 2.891 -8.737 -1.783 1.00 0.00 N ATOM 1016 CA LEU A 69 1.658 -9.109 -2.469 1.00 0.00 C ATOM 1017 C LEU A 69 1.559 -10.622 -2.630 1.00 0.00 C ATOM 1018 O LEU A 69 2.572 -11.310 -2.758 1.00 0.00 O ATOM 1019 CB LEU A 69 1.589 -8.433 -3.839 1.00 0.00 C ATOM 1020 CG LEU A 69 1.212 -6.951 -3.839 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.479 -6.332 -5.202 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.247 -6.772 -3.446 1.00 0.00 C ATOM 0 H LEU A 69 3.498 -8.114 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 69 0.818 -8.772 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.559 -8.540 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.865 -8.971 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 69 1.831 -6.438 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.205 -5.277 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.538 -6.427 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.886 -6.847 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.498 -5.711 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.883 -7.299 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.407 -7.178 -2.447 1.00 0.00 H new ATOM 1034 N ALA A 70 0.333 -11.134 -2.625 1.00 0.00 N ATOM 1035 CA ALA A 70 0.102 -12.565 -2.776 1.00 0.00 C ATOM 1036 C ALA A 70 -1.339 -12.849 -3.185 1.00 0.00 C ATOM 1037 O ALA A 70 -2.225 -12.017 -2.990 1.00 0.00 O ATOM 1038 CB ALA A 70 0.438 -13.293 -1.482 1.00 0.00 C ATOM 0 H ALA A 70 -0.516 -10.579 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 70 0.756 -12.932 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.261 -14.361 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.486 -13.126 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.192 -12.914 -0.677 1.00 0.00 H new ATOM 1044 N MET A 71 -1.567 -14.028 -3.754 1.00 0.00 N ATOM 1045 CA MET A 71 -2.902 -14.421 -4.191 1.00 0.00 C ATOM 1046 C MET A 71 -3.957 -13.970 -3.186 1.00 0.00 C ATOM 1047 O MET A 71 -4.954 -13.351 -3.554 1.00 0.00 O ATOM 1048 CB MET A 71 -2.975 -15.937 -4.379 1.00 0.00 C ATOM 1049 CG MET A 71 -2.151 -16.444 -5.552 1.00 0.00 C ATOM 1050 SD MET A 71 -3.091 -16.495 -7.090 1.00 0.00 S ATOM 1051 CE MET A 71 -2.664 -14.906 -7.799 1.00 0.00 C ATOM 0 H MET A 71 -0.845 -14.728 -3.923 1.00 0.00 H new ATOM 0 HA MET A 71 -3.103 -13.934 -5.145 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.632 -16.425 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.016 -16.227 -4.524 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.280 -15.802 -5.684 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.779 -17.443 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.758 -14.955 -8.884 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.337 -14.142 -7.411 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.637 -14.654 -7.534 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.730 -14.286 -1.915 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.660 -13.911 -0.857 1.00 0.00 C ATOM 1063 C ALA A 72 -4.942 -12.413 -0.878 1.00 0.00 C ATOM 1064 O ALA A 72 -6.097 -11.988 -0.822 1.00 0.00 O ATOM 1065 CB ALA A 72 -4.112 -14.328 0.500 1.00 0.00 C ATOM 0 H ALA A 72 -2.910 -14.801 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.601 -14.433 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.817 -14.042 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.969 -15.408 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.157 -13.833 0.674 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.882 -11.617 -0.960 1.00 0.00 N ATOM 1072 CA ASP A 73 -4.016 -10.165 -0.989 1.00 0.00 C ATOM 1073 C ASP A 73 -5.086 -9.739 -1.990 1.00 0.00 C ATOM 1074 O ASP A 73 -5.846 -8.802 -1.741 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.678 -9.516 -1.346 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.532 -10.053 -0.512 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.371 -11.290 -0.453 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.798 -9.237 0.084 1.00 0.00 O ATOM 0 H ASP A 73 -2.920 -11.953 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.319 -9.832 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.466 -9.686 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.752 -8.438 -1.205 1.00 0.00 H new ATOM 1083 N THR A 74 -5.139 -10.431 -3.124 1.00 0.00 N ATOM 1084 CA THR A 74 -6.113 -10.122 -4.163 1.00 0.00 C ATOM 1085 C THR A 74 -7.504 -9.927 -3.571 1.00 0.00 C ATOM 1086 O THR A 74 -8.152 -10.886 -3.154 1.00 0.00 O ATOM 1087 CB THR A 74 -6.171 -11.235 -5.226 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.853 -11.525 -5.705 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.061 -10.826 -6.390 1.00 0.00 C ATOM 0 H THR A 74 -4.518 -11.209 -3.346 1.00 0.00 H new ATOM 0 HA THR A 74 -5.789 -9.195 -4.636 1.00 0.00 H new ATOM 0 HB THR A 74 -6.593 -12.127 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.456 -12.236 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.086 -11.628 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.071 -10.635 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.664 -9.921 -6.851 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.958 -8.678 -3.538 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.271 -8.380 -2.996 1.00 0.00 C ATOM 1099 C GLY A 75 -9.754 -6.994 -3.376 1.00 0.00 C ATOM 1100 O GLY A 75 -9.810 -6.651 -4.557 1.00 0.00 O ATOM 0 H GLY A 75 -7.440 -7.867 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.985 -9.121 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.240 -8.466 -1.910 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.106 -6.196 -2.373 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.589 -4.840 -2.609 1.00 0.00 C ATOM 1106 C GLU A 76 -10.137 -3.900 -1.496 1.00 0.00 C ATOM 1107 O GLU A 76 -10.289 -4.203 -0.312 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.116 -4.830 -2.712 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.715 -3.434 -2.733 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.224 -3.445 -2.590 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.714 -3.750 -1.482 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.917 -3.148 -3.586 1.00 0.00 O ATOM 0 H GLU A 76 -10.066 -6.465 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.166 -4.490 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.414 -5.358 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.532 -5.382 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.281 -2.844 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.446 -2.941 -3.667 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.580 -2.758 -1.884 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.102 -1.774 -0.920 1.00 0.00 C ATOM 1121 C TYR A 77 -9.894 -0.475 -1.030 1.00 0.00 C ATOM 1122 O TYR A 77 -10.163 0.010 -2.129 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.614 -1.497 -1.136 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.731 -2.698 -0.882 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.685 -3.754 -1.784 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.945 -2.778 0.260 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.881 -4.854 -1.555 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.136 -3.873 0.496 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.108 -4.909 -0.414 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.305 -6.002 -0.182 1.00 0.00 O ATOM 0 H TYR A 77 -9.448 -2.491 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.246 -2.183 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.462 -1.155 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.305 -0.684 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.288 -3.714 -2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.966 -1.970 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.858 -5.667 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.529 -3.917 1.388 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.826 -5.882 0.664 1.00 0.00 H new ATOM 1140 N SER A 78 -10.264 0.085 0.117 1.00 0.00 N ATOM 1141 CA SER A 78 -11.028 1.326 0.151 1.00 0.00 C ATOM 1142 C SER A 78 -10.386 2.334 1.100 1.00 0.00 C ATOM 1143 O SER A 78 -10.112 2.023 2.260 1.00 0.00 O ATOM 1144 CB SER A 78 -12.470 1.051 0.582 1.00 0.00 C ATOM 1145 OG SER A 78 -12.981 -0.106 -0.057 1.00 0.00 O ATOM 0 H SER A 78 -10.047 -0.301 1.036 1.00 0.00 H new ATOM 0 HA SER A 78 -11.031 1.749 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.511 0.921 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.095 1.910 0.340 1.00 0.00 H new ATOM 0 HG SER A 78 -13.903 -0.261 0.236 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.148 3.541 0.599 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.537 4.595 1.401 1.00 0.00 C ATOM 1153 C CYS A 79 -10.594 5.558 1.929 1.00 0.00 C ATOM 1154 O CYS A 79 -11.099 6.407 1.194 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.501 5.358 0.573 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.244 6.202 1.561 1.00 0.00 S ATOM 0 H CYS A 79 -10.369 3.814 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.040 4.129 2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.008 4.661 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.016 6.093 -0.046 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.117 5.560 1.469 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.926 5.420 3.209 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.924 6.278 3.836 1.00 0.00 C ATOM 1164 C VAL A 80 -11.289 7.551 4.384 1.00 0.00 C ATOM 1165 O VAL A 80 -10.113 7.562 4.750 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.653 5.548 4.980 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.016 6.175 5.232 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.789 4.066 4.664 1.00 0.00 C ATOM 0 H VAL A 80 -10.518 4.722 3.832 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.646 6.540 3.063 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.060 5.650 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.516 5.646 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.890 7.223 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.621 6.107 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.306 3.565 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.360 3.941 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.799 3.628 4.539 1.00 0.00 H new ATOM 1178 N CYS A 81 -12.074 8.621 4.439 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.588 9.901 4.943 1.00 0.00 C ATOM 1180 C CYS A 81 -12.503 10.437 6.039 1.00 0.00 C ATOM 1181 O CYS A 81 -12.038 10.981 7.039 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.487 10.916 3.804 1.00 0.00 C ATOM 1183 SG CYS A 81 -13.041 11.193 2.922 1.00 0.00 S ATOM 0 H CYS A 81 -13.049 8.628 4.141 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.597 9.743 5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -11.137 11.866 4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.734 10.575 3.093 1.00 0.00 H new ATOM 0 HG CYS A 81 -13.156 10.324 1.962 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.809 10.281 5.841 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.769 10.756 6.820 1.00 0.00 C ATOM 1191 C GLY A 82 -16.199 10.428 6.436 1.00 0.00 C ATOM 1192 O GLY A 82 -16.843 9.595 7.074 1.00 0.00 O ATOM 0 H GLY A 82 -14.219 9.834 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.545 10.311 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.665 11.835 6.933 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.696 11.084 5.393 1.00 0.00 N ATOM 1197 CA GLN A 83 -18.059 10.858 4.927 1.00 0.00 C ATOM 1198 C GLN A 83 -18.070 9.987 3.676 1.00 0.00 C ATOM 1199 O GLN A 83 -18.947 9.142 3.504 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.750 12.193 4.641 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.974 13.041 5.882 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.735 12.302 6.965 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.966 12.280 6.970 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.005 11.690 7.890 1.00 0.00 N ATOM 0 H GLN A 83 -16.175 11.776 4.854 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.604 10.336 5.714 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.149 12.758 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.711 12.000 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.010 13.363 6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.523 13.942 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.987 11.734 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.462 11.176 8.643 1.00 0.00 H new ATOM 1213 N GLU A 84 -17.089 10.200 2.804 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.987 9.435 1.567 1.00 0.00 C ATOM 1215 C GLU A 84 -15.673 8.661 1.512 1.00 0.00 C ATOM 1216 O GLU A 84 -14.734 8.960 2.250 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.097 10.363 0.356 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.232 11.608 0.463 1.00 0.00 C ATOM 1219 CD GLU A 84 -16.783 12.617 1.452 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -17.692 13.384 1.073 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -16.303 12.640 2.605 1.00 0.00 O ATOM 0 H GLU A 84 -16.354 10.896 2.932 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.810 8.721 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.816 9.811 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.137 10.663 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.225 11.321 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.150 12.074 -0.519 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.615 7.667 0.633 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.417 6.849 0.482 1.00 0.00 C ATOM 1230 C ARG A 85 -14.282 6.341 -0.950 1.00 0.00 C ATOM 1231 O ARG A 85 -15.247 6.344 -1.716 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.455 5.667 1.452 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.191 4.454 0.906 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.658 3.535 2.024 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.284 2.321 1.508 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.558 2.251 1.138 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.336 3.321 1.224 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.055 1.110 0.679 1.00 0.00 N ATOM 0 H ARG A 85 -16.383 7.408 0.014 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.552 7.471 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.434 5.380 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.932 5.984 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.050 4.782 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.536 3.903 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.808 3.266 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.367 4.067 2.658 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.712 1.481 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.957 4.200 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.314 3.265 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.459 0.285 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.033 1.057 0.395 1.00 0.00 H new ATOM 1252 N THR A 86 -13.078 5.906 -1.308 1.00 0.00 N ATOM 1253 CA THR A 86 -12.816 5.397 -2.648 1.00 0.00 C ATOM 1254 C THR A 86 -12.525 3.901 -2.621 1.00 0.00 C ATOM 1255 O THR A 86 -12.305 3.321 -1.557 1.00 0.00 O ATOM 1256 CB THR A 86 -11.628 6.127 -3.304 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.624 5.885 -4.715 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.310 5.667 -2.701 1.00 0.00 C ATOM 0 H THR A 86 -12.268 5.896 -0.688 1.00 0.00 H new ATOM 0 HA THR A 86 -13.715 5.579 -3.236 1.00 0.00 H new ATOM 0 HB THR A 86 -11.739 7.195 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.523 5.623 -5.005 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.486 6.196 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.305 5.880 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.193 4.595 -2.858 1.00 0.00 H new ATOM 1266 N SER A 87 -12.525 3.281 -3.797 1.00 0.00 N ATOM 1267 CA SER A 87 -12.264 1.851 -3.907 1.00 0.00 C ATOM 1268 C SER A 87 -11.525 1.532 -5.203 1.00 0.00 C ATOM 1269 O SER A 87 -11.670 2.235 -6.202 1.00 0.00 O ATOM 1270 CB SER A 87 -13.576 1.066 -3.848 1.00 0.00 C ATOM 1271 OG SER A 87 -14.637 1.801 -4.431 1.00 0.00 O ATOM 0 H SER A 87 -12.703 3.747 -4.687 1.00 0.00 H new ATOM 0 HA SER A 87 -11.634 1.556 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.459 0.116 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.818 0.833 -2.811 1.00 0.00 H new ATOM 0 HG SER A 87 -15.464 1.277 -4.382 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.731 0.466 -5.177 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.970 0.051 -6.349 1.00 0.00 C ATOM 1279 C ALA A 88 -9.564 -1.415 -6.249 1.00 0.00 C ATOM 1280 O ALA A 88 -8.737 -1.784 -5.415 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.741 0.931 -6.518 1.00 0.00 C ATOM 0 H ALA A 88 -10.598 -0.126 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.608 0.165 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.182 0.610 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.051 1.968 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.108 0.846 -5.634 1.00 0.00 H new ATOM 1287 N MET A 89 -10.150 -2.247 -7.104 1.00 0.00 N ATOM 1288 CA MET A 89 -9.848 -3.673 -7.111 1.00 0.00 C ATOM 1289 C MET A 89 -8.362 -3.913 -7.362 1.00 0.00 C ATOM 1290 O MET A 89 -7.765 -3.299 -8.248 1.00 0.00 O ATOM 1291 CB MET A 89 -10.679 -4.387 -8.179 1.00 0.00 C ATOM 1292 CG MET A 89 -12.120 -4.633 -7.763 1.00 0.00 C ATOM 1293 SD MET A 89 -12.254 -5.721 -6.331 1.00 0.00 S ATOM 1294 CE MET A 89 -11.510 -7.219 -6.973 1.00 0.00 C ATOM 0 H MET A 89 -10.837 -1.958 -7.801 1.00 0.00 H new ATOM 0 HA MET A 89 -10.103 -4.078 -6.132 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.670 -3.793 -9.093 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.209 -5.342 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.596 -3.679 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.666 -5.070 -8.599 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.767 -8.058 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.883 -7.408 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.427 -7.103 -7.004 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.771 -4.807 -6.578 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.355 -5.128 -6.715 1.00 0.00 C ATOM 1306 C LEU A 90 -6.164 -6.572 -7.168 1.00 0.00 C ATOM 1307 O LEU A 90 -6.546 -7.510 -6.468 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.629 -4.898 -5.389 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.294 -5.624 -5.219 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.315 -5.202 -6.304 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.712 -5.356 -3.839 1.00 0.00 C ATOM 0 H LEU A 90 -8.251 -5.323 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.931 -4.470 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.455 -3.828 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.291 -5.202 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.471 -6.695 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.371 -5.729 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.728 -5.447 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.143 -4.127 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.762 -5.881 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.550 -4.285 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.406 -5.710 -3.076 1.00 0.00 H new ATOM 1323 N THR A 91 -5.569 -6.744 -8.345 1.00 0.00 N ATOM 1324 CA THR A 91 -5.327 -8.073 -8.891 1.00 0.00 C ATOM 1325 C THR A 91 -3.857 -8.459 -8.767 1.00 0.00 C ATOM 1326 O THR A 91 -2.974 -7.736 -9.228 1.00 0.00 O ATOM 1327 CB THR A 91 -5.744 -8.156 -10.372 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.155 -7.941 -10.496 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.379 -9.510 -10.962 1.00 0.00 C ATOM 0 H THR A 91 -5.246 -5.979 -8.938 1.00 0.00 H new ATOM 0 HA THR A 91 -5.933 -8.769 -8.310 1.00 0.00 H new ATOM 0 HB THR A 91 -5.209 -7.382 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.412 -7.994 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.683 -9.545 -12.008 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.301 -9.659 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.891 -10.298 -10.409 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.602 -9.604 -8.142 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.238 -10.087 -7.959 1.00 0.00 C ATOM 1339 C VAL A 92 -1.924 -11.224 -8.925 1.00 0.00 C ATOM 1340 O VAL A 92 -2.187 -12.390 -8.633 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.004 -10.574 -6.516 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.593 -11.118 -6.359 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.265 -9.449 -5.526 1.00 0.00 C ATOM 0 H VAL A 92 -4.321 -10.214 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.574 -9.247 -8.163 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.704 -11.382 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.446 -11.457 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.447 -11.955 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.127 -10.333 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.095 -9.810 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.590 -8.618 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.297 -9.111 -5.623 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.358 -10.875 -10.076 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.008 -11.866 -11.086 1.00 0.00 C ATOM 1355 C ARG A 93 0.040 -12.838 -10.553 1.00 0.00 C ATOM 1356 O ARG A 93 1.208 -12.483 -10.396 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.486 -11.177 -12.348 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.502 -10.257 -13.005 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.627 -11.045 -13.657 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.323 -11.386 -15.044 1.00 0.00 N ATOM 1361 CZ ARG A 93 -3.076 -12.192 -15.785 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.172 -12.736 -15.274 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.734 -12.454 -17.040 1.00 0.00 N ATOM 0 H ARG A 93 -1.132 -9.914 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.908 -12.429 -11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.404 -10.600 -12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.179 -11.937 -13.066 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.916 -9.579 -12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.005 -9.641 -13.755 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.806 -11.958 -13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.547 -10.462 -13.620 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.487 -10.983 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.439 -12.536 -14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.748 -13.354 -15.845 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.892 -12.037 -17.437 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.313 -13.073 -17.608 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.385 -14.067 -10.277 1.00 0.00 N ATOM 1378 CA ALA A 94 0.517 -15.090 -9.764 1.00 0.00 C ATOM 1379 C ALA A 94 1.766 -15.207 -10.631 1.00 0.00 C ATOM 1380 O ALA A 94 1.682 -15.218 -11.860 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.198 -16.431 -9.682 1.00 0.00 C ATOM 0 H ALA A 94 -1.349 -14.378 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 94 0.829 -14.794 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.488 -17.186 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.056 -16.346 -9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.539 -16.723 -10.675 1.00 0.00 H new ATOM 1387 N LEU A 95 2.923 -15.292 -9.985 1.00 0.00 N ATOM 1388 CA LEU A 95 4.191 -15.407 -10.697 1.00 0.00 C ATOM 1389 C LEU A 95 4.135 -16.527 -11.732 1.00 0.00 C ATOM 1390 O LEU A 95 3.365 -17.480 -11.609 1.00 0.00 O ATOM 1391 CB LEU A 95 5.331 -15.665 -9.711 1.00 0.00 C ATOM 1392 CG LEU A 95 5.702 -14.499 -8.794 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.410 -15.005 -7.547 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.574 -13.495 -9.534 1.00 0.00 C ATOM 0 H LEU A 95 3.010 -15.283 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 95 4.374 -14.466 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.061 -16.518 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.217 -15.952 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 95 4.784 -13.997 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.666 -14.161 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.752 -15.685 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.320 -15.532 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.828 -12.672 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.488 -13.985 -9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.031 -13.108 -10.396 1.00 0.00 H new