USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 17 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-2.1) USER MOD Single : A 21 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 57 GLN : amide:sc= -0.506 K(o=-0.51,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.493 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 64 HIS : no HD1:sc= -13.7! C(o=-14!,f=-17!) USER MOD Single : A 72 THR OG1 : rot 89:sc= 0.444 USER MOD Single : A 75 TYR OH : rot 103:sc= 0.457 USER MOD Single : A 79 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 135:sc= -1.46! (180deg=-3.46!) USER MOD Single : A 82 THR OG1 : rot 37:sc= 1.07 USER MOD Single : A 83 MET CE :methyl 178:sc= -0.12 (180deg=-0.129) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 88 TYR OH : rot 110:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -4.076 6.208 -10.983 1.00 0.00 N ATOM 67 CA VAL A 8 -3.440 5.501 -9.878 1.00 0.00 C ATOM 68 C VAL A 8 -4.171 5.761 -8.566 1.00 0.00 C ATOM 69 O VAL A 8 -4.390 6.910 -8.180 1.00 0.00 O ATOM 70 CB VAL A 8 -1.965 5.915 -9.722 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.314 5.153 -8.578 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.208 5.690 -11.022 1.00 0.00 C ATOM 0 HA VAL A 8 -3.488 4.438 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.928 6.978 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.272 5.459 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.842 5.370 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.361 4.083 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.167 5.988 -10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.253 4.635 -11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.661 6.286 -11.814 1.00 0.00 H new ATOM 82 N THR A 9 -4.548 4.685 -7.882 1.00 0.00 N ATOM 83 CA THR A 9 -5.255 4.796 -6.612 1.00 0.00 C ATOM 84 C THR A 9 -4.288 5.061 -5.465 1.00 0.00 C ATOM 85 O THR A 9 -3.451 4.218 -5.136 1.00 0.00 O ATOM 86 CB THR A 9 -6.061 3.520 -6.305 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.989 3.259 -7.364 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.812 3.657 -4.989 1.00 0.00 C ATOM 0 H THR A 9 -4.375 3.727 -8.186 1.00 0.00 H new ATOM 0 HA THR A 9 -5.942 5.637 -6.705 1.00 0.00 H new ATOM 0 HB THR A 9 -5.362 2.688 -6.222 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.496 2.445 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.374 2.744 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.101 3.826 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.500 4.500 -5.049 1.00 0.00 H new ATOM 96 N THR A 10 -4.406 6.236 -4.856 1.00 0.00 N ATOM 97 CA THR A 10 -3.542 6.612 -3.744 1.00 0.00 C ATOM 98 C THR A 10 -4.303 6.590 -2.424 1.00 0.00 C ATOM 99 O THR A 10 -5.476 6.957 -2.366 1.00 0.00 O ATOM 100 CB THR A 10 -2.937 8.014 -3.952 1.00 0.00 C ATOM 101 OG1 THR A 10 -2.264 8.075 -5.214 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.962 8.354 -2.835 1.00 0.00 C ATOM 0 H THR A 10 -5.092 6.945 -5.114 1.00 0.00 H new ATOM 0 HA THR A 10 -2.737 5.878 -3.708 1.00 0.00 H new ATOM 0 HB THR A 10 -3.749 8.741 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.884 8.970 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.548 9.348 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.484 8.336 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.154 7.622 -2.822 1.00 0.00 H new ATOM 110 N ALA A 11 -3.627 6.159 -1.364 1.00 0.00 N ATOM 111 CA ALA A 11 -4.239 6.092 -0.043 1.00 0.00 C ATOM 112 C ALA A 11 -3.238 6.464 1.046 1.00 0.00 C ATOM 113 O ALA A 11 -2.039 6.218 0.910 1.00 0.00 O ATOM 114 CB ALA A 11 -4.802 4.701 0.208 1.00 0.00 C ATOM 0 H ALA A 11 -2.655 5.851 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.055 6.814 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.256 4.665 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.556 4.472 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.998 3.967 0.151 1.00 0.00 H new ATOM 120 N ILE A 12 -3.737 7.059 2.124 1.00 0.00 N ATOM 121 CA ILE A 12 -2.886 7.464 3.236 1.00 0.00 C ATOM 122 C ILE A 12 -3.349 6.830 4.543 1.00 0.00 C ATOM 123 O ILE A 12 -4.531 6.880 4.884 1.00 0.00 O ATOM 124 CB ILE A 12 -2.866 8.996 3.400 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.713 9.675 2.038 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.742 9.413 4.336 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.283 9.731 1.548 1.00 0.00 C ATOM 0 H ILE A 12 -4.727 7.271 2.251 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.879 7.118 3.005 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.813 9.313 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.319 9.142 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.107 10.689 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.740 10.498 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.892 8.953 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.786 9.087 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.250 10.225 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.676 10.290 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.891 8.718 1.453 1.00 0.00 H new ATOM 139 N ILE A 13 -2.410 6.235 5.270 1.00 0.00 N ATOM 140 CA ILE A 13 -2.721 5.593 6.541 1.00 0.00 C ATOM 141 C ILE A 13 -2.110 6.361 7.709 1.00 0.00 C ATOM 142 O ILE A 13 -1.167 7.133 7.532 1.00 0.00 O ATOM 143 CB ILE A 13 -2.215 4.139 6.577 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.425 3.470 5.217 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.925 3.358 7.672 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.863 3.086 4.947 1.00 0.00 C ATOM 0 H ILE A 13 -1.427 6.184 5.001 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.807 5.593 6.637 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.147 4.147 6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.085 4.146 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.802 2.577 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.556 2.332 7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.730 3.826 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.998 3.356 7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.936 2.617 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.202 2.385 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.488 3.978 4.971 1.00 0.00 H new ATOM 158 N HIS A 14 -2.652 6.142 8.902 1.00 0.00 N ATOM 159 CA HIS A 14 -2.158 6.811 10.101 1.00 0.00 C ATOM 160 C HIS A 14 -1.817 5.797 11.188 1.00 0.00 C ATOM 161 O HIS A 14 -2.703 5.288 11.875 1.00 0.00 O ATOM 162 CB HIS A 14 -3.198 7.804 10.621 1.00 0.00 C ATOM 163 CG HIS A 14 -3.081 9.168 10.013 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.205 9.402 8.660 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.853 10.374 10.583 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.055 10.693 8.423 1.00 0.00 C ATOM 167 NE2 HIS A 14 -2.841 11.305 9.574 1.00 0.00 N ATOM 0 H HIS A 14 -3.433 5.507 9.065 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.250 7.352 9.837 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.195 7.411 10.422 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.099 7.888 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.708 10.568 11.635 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.100 11.167 7.454 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.691 12.307 9.694 1.00 0.00 H new ATOM 175 N ARG A 15 -0.529 5.507 11.338 1.00 0.00 N ATOM 176 CA ARG A 15 -0.071 4.553 12.340 1.00 0.00 C ATOM 177 C ARG A 15 0.721 5.255 13.438 1.00 0.00 C ATOM 178 O ARG A 15 1.943 5.389 13.367 1.00 0.00 O ATOM 179 CB ARG A 15 0.790 3.470 11.688 1.00 0.00 C ATOM 180 CG ARG A 15 0.183 2.890 10.421 1.00 0.00 C ATOM 181 CD ARG A 15 0.625 3.661 9.187 1.00 0.00 C ATOM 182 NE ARG A 15 1.853 3.118 8.613 1.00 0.00 N ATOM 183 CZ ARG A 15 1.877 2.101 7.758 1.00 0.00 C ATOM 184 NH1 ARG A 15 0.747 1.520 7.381 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.035 1.663 7.279 1.00 0.00 N ATOM 0 H ARG A 15 0.217 5.920 10.777 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.948 4.088 12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.769 3.888 11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.951 2.665 12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.475 1.845 10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.904 2.911 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.168 3.634 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.779 4.708 9.450 1.00 0.00 H new ATOM 0 HE ARG A 15 2.740 3.542 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.145 1.853 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.769 0.740 6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.907 2.107 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.053 0.882 6.623 1.00 0.00 H new ATOM 199 N PRO A 16 0.011 5.716 14.479 1.00 0.00 N ATOM 200 CA PRO A 16 0.627 6.412 15.612 1.00 0.00 C ATOM 201 C PRO A 16 1.472 5.481 16.475 1.00 0.00 C ATOM 202 O PRO A 16 2.370 5.926 17.190 1.00 0.00 O ATOM 203 CB PRO A 16 -0.574 6.933 16.404 1.00 0.00 C ATOM 204 CG PRO A 16 -1.689 6.008 16.054 1.00 0.00 C ATOM 205 CD PRO A 16 -1.449 5.592 14.629 1.00 0.00 C ATOM 0 HA PRO A 16 1.311 7.195 15.286 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.375 6.925 17.476 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.812 7.961 16.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.701 5.143 16.717 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.654 6.503 16.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.787 4.572 14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.981 6.235 13.928 1.00 0.00 H new ATOM 213 N HIS A 17 1.178 4.187 16.403 1.00 0.00 N ATOM 214 CA HIS A 17 1.911 3.192 17.178 1.00 0.00 C ATOM 215 C HIS A 17 2.512 2.127 16.265 1.00 0.00 C ATOM 216 O HIS A 17 1.901 1.730 15.274 1.00 0.00 O ATOM 217 CB HIS A 17 0.991 2.537 18.208 1.00 0.00 C ATOM 218 CG HIS A 17 1.696 2.120 19.462 1.00 0.00 C ATOM 219 ND1 HIS A 17 1.880 0.801 19.819 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.266 2.857 20.444 1.00 0.00 C ATOM 221 CE1 HIS A 17 2.531 0.744 20.967 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.777 1.978 21.368 1.00 0.00 N ATOM 0 H HIS A 17 0.438 3.803 15.816 1.00 0.00 H new ATOM 0 HA HIS A 17 2.723 3.700 17.699 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.192 3.233 18.464 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.520 1.663 17.758 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.311 3.935 20.492 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.814 -0.158 21.489 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.267 2.236 22.225 1.00 0.00 H new ATOM 230 N ALA A 18 3.712 1.670 16.607 1.00 0.00 N ATOM 231 CA ALA A 18 4.394 0.651 15.819 1.00 0.00 C ATOM 232 C ALA A 18 3.957 -0.749 16.236 1.00 0.00 C ATOM 233 O ALA A 18 3.857 -1.652 15.405 1.00 0.00 O ATOM 234 CB ALA A 18 5.902 0.798 15.957 1.00 0.00 C ATOM 0 H ALA A 18 4.232 1.989 17.424 1.00 0.00 H new ATOM 0 HA ALA A 18 4.121 0.792 14.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.398 0.030 15.363 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.205 1.783 15.603 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.184 0.686 17.004 1.00 0.00 H new ATOM 240 N ARG A 19 3.698 -0.923 17.528 1.00 0.00 N ATOM 241 CA ARG A 19 3.273 -2.214 18.055 1.00 0.00 C ATOM 242 C ARG A 19 1.768 -2.401 17.888 1.00 0.00 C ATOM 243 O ARG A 19 1.129 -3.096 18.676 1.00 0.00 O ATOM 244 CB ARG A 19 3.652 -2.335 19.532 1.00 0.00 C ATOM 245 CG ARG A 19 5.141 -2.535 19.764 1.00 0.00 C ATOM 246 CD ARG A 19 5.514 -2.303 21.220 1.00 0.00 C ATOM 247 NE ARG A 19 6.758 -2.976 21.581 1.00 0.00 N ATOM 248 CZ ARG A 19 7.340 -2.858 22.769 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.793 -2.097 23.706 1.00 0.00 N ATOM 250 NH2 ARG A 19 8.473 -3.503 23.022 1.00 0.00 N ATOM 0 H ARG A 19 3.775 -0.186 18.229 1.00 0.00 H new ATOM 0 HA ARG A 19 3.783 -2.995 17.491 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.329 -1.436 20.056 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.109 -3.172 19.970 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.423 -3.546 19.472 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.704 -1.851 19.129 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.615 -1.233 21.402 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.709 -2.661 21.862 1.00 0.00 H new ATOM 0 HE ARG A 19 7.205 -3.570 20.882 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.923 -1.600 23.516 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.242 -2.008 24.617 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.897 -4.090 22.304 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.919 -3.412 23.935 1.00 0.00 H new ATOM 264 N GLU A 20 1.210 -1.775 16.856 1.00 0.00 N ATOM 265 CA GLU A 20 -0.220 -1.872 16.588 1.00 0.00 C ATOM 266 C GLU A 20 -0.474 -2.456 15.201 1.00 0.00 C ATOM 267 O GLU A 20 0.201 -2.104 14.235 1.00 0.00 O ATOM 268 CB GLU A 20 -0.877 -0.495 16.702 1.00 0.00 C ATOM 269 CG GLU A 20 -1.113 -0.050 18.135 1.00 0.00 C ATOM 270 CD GLU A 20 -2.242 -0.809 18.804 1.00 0.00 C ATOM 271 OE1 GLU A 20 -3.413 -0.418 18.617 1.00 0.00 O ATOM 272 OE2 GLU A 20 -1.954 -1.796 19.514 1.00 0.00 O ATOM 0 H GLU A 20 1.726 -1.196 16.193 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.659 -2.538 17.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.248 0.241 16.201 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.830 -0.512 16.174 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.197 -0.188 18.710 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.340 1.016 18.148 1.00 0.00 H new ATOM 279 N GLN A 21 -1.454 -3.351 15.113 1.00 0.00 N ATOM 280 CA GLN A 21 -1.797 -3.985 13.845 1.00 0.00 C ATOM 281 C GLN A 21 -1.986 -2.942 12.749 1.00 0.00 C ATOM 282 O GLN A 21 -2.083 -1.746 13.025 1.00 0.00 O ATOM 283 CB GLN A 21 -3.069 -4.820 13.997 1.00 0.00 C ATOM 284 CG GLN A 21 -4.261 -4.026 14.506 1.00 0.00 C ATOM 285 CD GLN A 21 -5.485 -4.891 14.732 1.00 0.00 C ATOM 286 OE1 GLN A 21 -5.974 -5.014 15.856 1.00 0.00 O ATOM 287 NE2 GLN A 21 -5.988 -5.497 13.663 1.00 0.00 N ATOM 0 H GLN A 21 -2.023 -3.653 15.904 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.973 -4.639 13.559 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.322 -5.261 13.033 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.873 -5.644 14.683 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.992 -3.533 15.440 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.503 -3.241 13.789 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.551 -5.367 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.811 -6.092 13.754 1.00 0.00 H new ATOM 296 N LEU A 22 -2.038 -3.403 11.504 1.00 0.00 N ATOM 297 CA LEU A 22 -2.215 -2.509 10.364 1.00 0.00 C ATOM 298 C LEU A 22 -3.635 -2.604 9.815 1.00 0.00 C ATOM 299 O LEU A 22 -4.225 -1.601 9.416 1.00 0.00 O ATOM 300 CB LEU A 22 -1.207 -2.847 9.265 1.00 0.00 C ATOM 301 CG LEU A 22 0.175 -2.208 9.402 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.026 -2.506 8.178 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.050 -0.706 9.614 1.00 0.00 C ATOM 0 H LEU A 22 -1.960 -4.390 11.258 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.043 -1.487 10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.083 -3.929 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.631 -2.547 8.307 1.00 0.00 H new ATOM 0 HG LEU A 22 0.667 -2.638 10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.006 -2.043 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.145 -3.584 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.538 -2.105 7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.044 -0.268 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.463 -0.260 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.520 -0.513 10.523 1.00 0.00 H new ATOM 315 N GLY A 23 -4.179 -3.817 9.799 1.00 0.00 N ATOM 316 CA GLY A 23 -5.526 -4.020 9.298 1.00 0.00 C ATOM 317 C GLY A 23 -5.543 -4.643 7.917 1.00 0.00 C ATOM 318 O GLY A 23 -6.224 -5.643 7.687 1.00 0.00 O ATOM 0 H GLY A 23 -3.711 -4.663 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.075 -4.660 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.047 -3.063 9.268 1.00 0.00 H new ATOM 322 N PHE A 24 -4.794 -4.051 6.993 1.00 0.00 N ATOM 323 CA PHE A 24 -4.728 -4.552 5.625 1.00 0.00 C ATOM 324 C PHE A 24 -3.672 -5.647 5.497 1.00 0.00 C ATOM 325 O PHE A 24 -2.553 -5.504 5.990 1.00 0.00 O ATOM 326 CB PHE A 24 -4.415 -3.411 4.655 1.00 0.00 C ATOM 327 CG PHE A 24 -3.095 -2.745 4.919 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.990 -1.732 5.859 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.958 -3.132 4.227 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.777 -1.117 6.103 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.742 -2.521 4.467 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.651 -1.513 5.407 1.00 0.00 C ATOM 0 H PHE A 24 -4.224 -3.223 7.167 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.700 -4.977 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.420 -3.799 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.208 -2.665 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.867 -1.420 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.023 -3.920 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.709 -0.328 6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.136 -2.831 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.299 -1.035 5.598 1.00 0.00 H new ATOM 342 N CYS A 25 -4.038 -6.738 4.834 1.00 0.00 N ATOM 343 CA CYS A 25 -3.123 -7.858 4.642 1.00 0.00 C ATOM 344 C CYS A 25 -2.472 -7.799 3.264 1.00 0.00 C ATOM 345 O CYS A 25 -3.155 -7.843 2.241 1.00 0.00 O ATOM 346 CB CYS A 25 -3.866 -9.184 4.812 1.00 0.00 C ATOM 347 SG CYS A 25 -4.015 -9.732 6.529 1.00 0.00 S ATOM 0 H CYS A 25 -4.961 -6.871 4.421 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.339 -7.789 5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.864 -9.086 4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.349 -9.954 4.240 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.660 -10.860 6.570 1.00 0.00 H new ATOM 353 N VAL A 26 -1.147 -7.696 3.245 1.00 0.00 N ATOM 354 CA VAL A 26 -0.403 -7.630 1.993 1.00 0.00 C ATOM 355 C VAL A 26 0.338 -8.935 1.724 1.00 0.00 C ATOM 356 O VAL A 26 0.969 -9.497 2.619 1.00 0.00 O ATOM 357 CB VAL A 26 0.610 -6.470 2.003 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.551 -6.572 0.812 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.114 -5.132 2.008 1.00 0.00 C ATOM 0 H VAL A 26 -0.567 -7.656 4.083 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.132 -7.460 1.201 1.00 0.00 H new ATOM 0 HB VAL A 26 1.206 -6.539 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.259 -5.744 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.094 -7.516 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.974 -6.529 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.617 -4.323 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.736 -5.052 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.742 -5.061 2.896 1.00 0.00 H new ATOM 369 N GLU A 27 0.257 -9.411 0.486 1.00 0.00 N ATOM 370 CA GLU A 27 0.920 -10.651 0.100 1.00 0.00 C ATOM 371 C GLU A 27 1.731 -10.459 -1.178 1.00 0.00 C ATOM 372 O GLU A 27 1.198 -10.044 -2.207 1.00 0.00 O ATOM 373 CB GLU A 27 -0.109 -11.766 -0.098 1.00 0.00 C ATOM 374 CG GLU A 27 -0.473 -12.493 1.185 1.00 0.00 C ATOM 375 CD GLU A 27 -1.870 -13.082 1.145 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.837 -12.336 1.404 1.00 0.00 O ATOM 377 OE2 GLU A 27 -1.996 -14.291 0.855 1.00 0.00 O ATOM 0 H GLU A 27 -0.261 -8.957 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 27 1.601 -10.934 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.013 -11.341 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.283 -12.487 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.248 -13.290 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.398 -11.801 2.024 1.00 0.00 H new ATOM 384 N ASP A 28 3.022 -10.764 -1.104 1.00 0.00 N ATOM 385 CA ASP A 28 3.907 -10.626 -2.255 1.00 0.00 C ATOM 386 C ASP A 28 3.797 -9.231 -2.861 1.00 0.00 C ATOM 387 O ASP A 28 4.065 -9.035 -4.046 1.00 0.00 O ATOM 388 CB ASP A 28 3.575 -11.682 -3.310 1.00 0.00 C ATOM 389 CG ASP A 28 4.325 -12.981 -3.086 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.515 -12.921 -2.713 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.723 -14.056 -3.285 1.00 0.00 O ATOM 0 H ASP A 28 3.479 -11.108 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 28 4.932 -10.774 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.503 -11.878 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.817 -11.292 -4.299 1.00 0.00 H new ATOM 396 N GLY A 29 3.400 -8.264 -2.039 1.00 0.00 N ATOM 397 CA GLY A 29 3.260 -6.899 -2.513 1.00 0.00 C ATOM 398 C GLY A 29 1.880 -6.619 -3.074 1.00 0.00 C ATOM 399 O GLY A 29 1.690 -5.659 -3.821 1.00 0.00 O ATOM 0 H GLY A 29 3.173 -8.401 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.462 -6.210 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.008 -6.706 -3.282 1.00 0.00 H new ATOM 403 N ILE A 30 0.915 -7.458 -2.714 1.00 0.00 N ATOM 404 CA ILE A 30 -0.454 -7.296 -3.187 1.00 0.00 C ATOM 405 C ILE A 30 -1.457 -7.559 -2.069 1.00 0.00 C ATOM 406 O ILE A 30 -1.495 -8.649 -1.499 1.00 0.00 O ATOM 407 CB ILE A 30 -0.758 -8.239 -4.366 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.188 -7.952 -5.534 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.208 -8.091 -4.803 1.00 0.00 C ATOM 410 CD1 ILE A 30 0.016 -8.903 -6.698 1.00 0.00 C ATOM 0 H ILE A 30 1.056 -8.257 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.551 -6.264 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.601 -9.267 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.024 -6.932 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.217 -8.007 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.407 -8.764 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.866 -8.340 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.391 -7.063 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.718 -8.640 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.208 -9.923 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.003 -8.832 -7.079 1.00 0.00 H new ATOM 422 N ILE A 31 -2.268 -6.552 -1.762 1.00 0.00 N ATOM 423 CA ILE A 31 -3.274 -6.676 -0.714 1.00 0.00 C ATOM 424 C ILE A 31 -4.349 -7.686 -1.099 1.00 0.00 C ATOM 425 O ILE A 31 -4.788 -7.732 -2.249 1.00 0.00 O ATOM 426 CB ILE A 31 -3.943 -5.321 -0.413 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.881 -4.248 -0.161 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.873 -5.444 0.785 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.347 -2.848 -0.492 1.00 0.00 C ATOM 0 H ILE A 31 -2.248 -5.642 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.756 -7.024 0.180 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.535 -5.024 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.581 -4.284 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.996 -4.478 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.338 -4.479 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.646 -6.182 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.302 -5.760 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.544 -2.140 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.620 -2.795 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.214 -2.599 0.120 1.00 0.00 H new ATOM 441 N CYS A 32 -4.770 -8.493 -0.131 1.00 0.00 N ATOM 442 CA CYS A 32 -5.795 -9.502 -0.369 1.00 0.00 C ATOM 443 C CYS A 32 -7.008 -9.267 0.526 1.00 0.00 C ATOM 444 O CYS A 32 -8.148 -9.295 0.063 1.00 0.00 O ATOM 445 CB CYS A 32 -5.229 -10.902 -0.124 1.00 0.00 C ATOM 446 SG CYS A 32 -5.995 -12.195 -1.128 1.00 0.00 S ATOM 0 H CYS A 32 -4.417 -8.468 0.826 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.113 -9.423 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.158 -10.889 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.354 -11.153 0.929 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.448 -13.341 -0.851 1.00 0.00 H new ATOM 452 N SER A 33 -6.753 -9.037 1.810 1.00 0.00 N ATOM 453 CA SER A 33 -7.824 -8.802 2.771 1.00 0.00 C ATOM 454 C SER A 33 -7.628 -7.470 3.489 1.00 0.00 C ATOM 455 O SER A 33 -6.524 -6.925 3.519 1.00 0.00 O ATOM 456 CB SER A 33 -7.882 -9.941 3.791 1.00 0.00 C ATOM 457 OG SER A 33 -9.138 -9.977 4.445 1.00 0.00 O ATOM 0 H SER A 33 -5.815 -9.008 2.209 1.00 0.00 H new ATOM 0 HA SER A 33 -8.767 -8.765 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.702 -10.892 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.089 -9.814 4.528 1.00 0.00 H new ATOM 0 HG SER A 33 -9.150 -10.715 5.090 1.00 0.00 H new ATOM 463 N LEU A 34 -8.706 -6.952 4.066 1.00 0.00 N ATOM 464 CA LEU A 34 -8.654 -5.684 4.785 1.00 0.00 C ATOM 465 C LEU A 34 -9.471 -5.753 6.072 1.00 0.00 C ATOM 466 O LEU A 34 -10.615 -6.209 6.070 1.00 0.00 O ATOM 467 CB LEU A 34 -9.174 -4.550 3.898 1.00 0.00 C ATOM 468 CG LEU A 34 -8.613 -3.158 4.190 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.838 -2.233 3.005 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.246 -2.581 5.448 1.00 0.00 C ATOM 0 H LEU A 34 -9.627 -7.390 4.050 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.615 -5.486 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.954 -4.798 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.259 -4.510 3.993 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.539 -3.247 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.432 -1.247 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.337 -2.639 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.907 -2.149 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.835 -1.590 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.325 -2.506 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.032 -3.233 6.295 1.00 0.00 H new ATOM 482 N LEU A 35 -8.877 -5.296 7.168 1.00 0.00 N ATOM 483 CA LEU A 35 -9.550 -5.303 8.463 1.00 0.00 C ATOM 484 C LEU A 35 -10.733 -4.341 8.467 1.00 0.00 C ATOM 485 O LEU A 35 -10.589 -3.163 8.139 1.00 0.00 O ATOM 486 CB LEU A 35 -8.567 -4.926 9.573 1.00 0.00 C ATOM 487 CG LEU A 35 -9.133 -4.909 10.993 1.00 0.00 C ATOM 488 CD1 LEU A 35 -9.053 -6.294 11.616 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.393 -3.893 11.850 1.00 0.00 C ATOM 0 H LEU A 35 -7.931 -4.916 7.187 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.924 -6.310 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.732 -5.626 9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.163 -3.938 9.353 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.182 -4.616 10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.460 -6.262 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.629 -6.997 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.012 -6.616 11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.809 -3.895 12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.336 -4.155 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.503 -2.900 11.414 1.00 0.00 H new ATOM 501 N ARG A 36 -11.902 -4.850 8.843 1.00 0.00 N ATOM 502 CA ARG A 36 -13.110 -4.036 8.891 1.00 0.00 C ATOM 503 C ARG A 36 -13.155 -3.205 10.170 1.00 0.00 C ATOM 504 O ARG A 36 -13.208 -3.748 11.273 1.00 0.00 O ATOM 505 CB ARG A 36 -14.353 -4.923 8.802 1.00 0.00 C ATOM 506 CG ARG A 36 -15.610 -4.171 8.399 1.00 0.00 C ATOM 507 CD ARG A 36 -16.865 -4.959 8.742 1.00 0.00 C ATOM 508 NE ARG A 36 -17.155 -5.987 7.747 1.00 0.00 N ATOM 509 CZ ARG A 36 -18.179 -6.829 7.836 1.00 0.00 C ATOM 510 NH1 ARG A 36 -19.006 -6.764 8.871 1.00 0.00 N ATOM 511 NH2 ARG A 36 -18.377 -7.738 6.890 1.00 0.00 N ATOM 0 H ARG A 36 -12.038 -5.823 9.119 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.095 -3.358 8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.170 -5.720 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.519 -5.399 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.636 -3.206 8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.587 -3.969 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.744 -5.425 9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.712 -4.277 8.816 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.537 -6.063 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.856 -6.067 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.792 -7.411 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.743 -7.791 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.164 -8.384 6.960 1.00 0.00 H new ATOM 525 N GLY A 37 -13.133 -1.885 10.015 1.00 0.00 N ATOM 526 CA GLY A 37 -13.171 -1.002 11.165 1.00 0.00 C ATOM 527 C GLY A 37 -11.790 -0.704 11.714 1.00 0.00 C ATOM 528 O GLY A 37 -11.573 -0.745 12.924 1.00 0.00 O ATOM 0 H GLY A 37 -13.090 -1.411 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.657 -0.067 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.779 -1.456 11.947 1.00 0.00 H new ATOM 532 N GLY A 38 -10.852 -0.404 10.821 1.00 0.00 N ATOM 533 CA GLY A 38 -9.496 -0.105 11.241 1.00 0.00 C ATOM 534 C GLY A 38 -9.009 1.233 10.720 1.00 0.00 C ATOM 535 O GLY A 38 -9.767 2.203 10.677 1.00 0.00 O ATOM 0 H GLY A 38 -11.007 -0.363 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.448 -0.107 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.829 -0.892 10.891 1.00 0.00 H new ATOM 539 N ILE A 39 -7.741 1.287 10.326 1.00 0.00 N ATOM 540 CA ILE A 39 -7.155 2.516 9.806 1.00 0.00 C ATOM 541 C ILE A 39 -7.081 2.489 8.284 1.00 0.00 C ATOM 542 O ILE A 39 -7.448 3.457 7.617 1.00 0.00 O ATOM 543 CB ILE A 39 -5.742 2.750 10.374 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.682 2.324 11.842 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.346 4.211 10.223 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.272 2.168 12.368 1.00 0.00 C ATOM 0 H ILE A 39 -7.100 0.494 10.357 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.804 3.333 10.121 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.034 2.142 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.208 3.062 12.448 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.212 1.379 11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.345 4.361 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.354 4.483 9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.055 4.838 10.764 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.306 1.865 13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.749 1.409 11.787 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.745 3.118 12.282 1.00 0.00 H new ATOM 558 N ALA A 40 -6.607 1.373 7.739 1.00 0.00 N ATOM 559 CA ALA A 40 -6.489 1.218 6.295 1.00 0.00 C ATOM 560 C ALA A 40 -7.764 1.667 5.589 1.00 0.00 C ATOM 561 O ALA A 40 -7.755 2.636 4.831 1.00 0.00 O ATOM 562 CB ALA A 40 -6.169 -0.227 5.944 1.00 0.00 C ATOM 0 H ALA A 40 -6.299 0.563 8.277 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.672 1.853 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.084 -0.328 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.227 -0.515 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.967 -0.875 6.307 1.00 0.00 H new ATOM 568 N GLU A 41 -8.857 0.954 5.841 1.00 0.00 N ATOM 569 CA GLU A 41 -10.139 1.279 5.227 1.00 0.00 C ATOM 570 C GLU A 41 -10.364 2.788 5.205 1.00 0.00 C ATOM 571 O GLU A 41 -10.724 3.358 4.175 1.00 0.00 O ATOM 572 CB GLU A 41 -11.279 0.593 5.982 1.00 0.00 C ATOM 573 CG GLU A 41 -12.487 0.285 5.112 1.00 0.00 C ATOM 574 CD GLU A 41 -12.226 -0.839 4.128 1.00 0.00 C ATOM 575 OE1 GLU A 41 -12.313 -2.016 4.535 1.00 0.00 O ATOM 576 OE2 GLU A 41 -11.934 -0.540 2.951 1.00 0.00 O ATOM 0 H GLU A 41 -8.880 0.148 6.466 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.124 0.916 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.909 -0.335 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.591 1.230 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.330 0.017 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.774 1.183 4.565 1.00 0.00 H new ATOM 583 N ARG A 42 -10.151 3.429 6.350 1.00 0.00 N ATOM 584 CA ARG A 42 -10.332 4.871 6.463 1.00 0.00 C ATOM 585 C ARG A 42 -9.320 5.616 5.597 1.00 0.00 C ATOM 586 O ARG A 42 -9.644 6.628 4.977 1.00 0.00 O ATOM 587 CB ARG A 42 -10.193 5.311 7.921 1.00 0.00 C ATOM 588 CG ARG A 42 -11.472 5.157 8.729 1.00 0.00 C ATOM 589 CD ARG A 42 -12.001 3.733 8.667 1.00 0.00 C ATOM 590 NE ARG A 42 -12.832 3.508 7.488 1.00 0.00 N ATOM 591 CZ ARG A 42 -14.034 4.048 7.322 1.00 0.00 C ATOM 592 NH1 ARG A 42 -14.542 4.841 8.255 1.00 0.00 N ATOM 593 NH2 ARG A 42 -14.730 3.796 6.221 1.00 0.00 N ATOM 0 H ARG A 42 -9.853 2.972 7.212 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.334 5.115 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.402 4.728 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.880 6.355 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.283 5.432 9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.228 5.844 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.163 3.035 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.582 3.523 9.565 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.470 2.903 6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.010 5.038 9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.465 5.255 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.342 3.187 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.653 4.211 6.095 1.00 0.00 H new ATOM 607 N GLY A 43 -8.092 5.108 5.561 1.00 0.00 N ATOM 608 CA GLY A 43 -7.051 5.738 4.770 1.00 0.00 C ATOM 609 C GLY A 43 -7.371 5.739 3.288 1.00 0.00 C ATOM 610 O GLY A 43 -7.193 6.749 2.608 1.00 0.00 O ATOM 0 H GLY A 43 -7.799 4.271 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.912 6.764 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.108 5.217 4.935 1.00 0.00 H new ATOM 614 N GLY A 44 -7.842 4.602 2.785 1.00 0.00 N ATOM 615 CA GLY A 44 -8.178 4.497 1.377 1.00 0.00 C ATOM 616 C GLY A 44 -7.594 3.254 0.733 1.00 0.00 C ATOM 617 O GLY A 44 -7.327 3.237 -0.469 1.00 0.00 O ATOM 0 H GLY A 44 -7.997 3.752 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.262 4.485 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.813 5.380 0.853 1.00 0.00 H new ATOM 621 N ILE A 45 -7.394 2.213 1.534 1.00 0.00 N ATOM 622 CA ILE A 45 -6.838 0.962 1.035 1.00 0.00 C ATOM 623 C ILE A 45 -7.921 0.091 0.407 1.00 0.00 C ATOM 624 O ILE A 45 -9.016 -0.045 0.952 1.00 0.00 O ATOM 625 CB ILE A 45 -6.143 0.168 2.157 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.091 1.036 2.850 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.509 -1.096 1.597 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.014 1.541 1.916 1.00 0.00 C ATOM 0 H ILE A 45 -7.609 2.211 2.531 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.101 1.225 0.276 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.892 -0.121 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.585 1.888 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.626 0.460 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.022 -1.646 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.280 -1.720 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.770 -0.829 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.303 2.149 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.494 0.694 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.468 2.145 1.130 1.00 0.00 H new ATOM 640 N ARG A 46 -7.606 -0.498 -0.742 1.00 0.00 N ATOM 641 CA ARG A 46 -8.551 -1.357 -1.445 1.00 0.00 C ATOM 642 C ARG A 46 -7.882 -2.654 -1.888 1.00 0.00 C ATOM 643 O ARG A 46 -6.992 -2.647 -2.739 1.00 0.00 O ATOM 644 CB ARG A 46 -9.130 -0.628 -2.659 1.00 0.00 C ATOM 645 CG ARG A 46 -10.375 0.184 -2.346 1.00 0.00 C ATOM 646 CD ARG A 46 -11.639 -0.645 -2.515 1.00 0.00 C ATOM 647 NE ARG A 46 -12.035 -0.759 -3.916 1.00 0.00 N ATOM 648 CZ ARG A 46 -12.779 -1.752 -4.390 1.00 0.00 C ATOM 649 NH1 ARG A 46 -13.204 -2.712 -3.581 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.098 -1.786 -5.678 1.00 0.00 N ATOM 0 H ARG A 46 -6.703 -0.396 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.360 -1.603 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.369 0.034 -3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.368 -1.359 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.319 0.559 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.418 1.053 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.478 -1.641 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.449 -0.191 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.723 -0.037 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.960 -2.690 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.775 -3.473 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.772 -1.050 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.669 -2.549 -6.042 1.00 0.00 H new ATOM 664 N VAL A 47 -8.315 -3.767 -1.305 1.00 0.00 N ATOM 665 CA VAL A 47 -7.759 -5.073 -1.639 1.00 0.00 C ATOM 666 C VAL A 47 -7.873 -5.352 -3.134 1.00 0.00 C ATOM 667 O VAL A 47 -8.799 -4.883 -3.794 1.00 0.00 O ATOM 668 CB VAL A 47 -8.464 -6.200 -0.862 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.506 -5.878 0.624 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.867 -6.425 -1.407 1.00 0.00 C ATOM 0 H VAL A 47 -9.050 -3.790 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.707 -5.051 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.895 -7.120 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.008 -6.685 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.489 -5.770 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.051 -4.947 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.351 -7.225 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.448 -5.508 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.808 -6.703 -2.459 1.00 0.00 H new ATOM 680 N GLY A 48 -6.926 -6.122 -3.661 1.00 0.00 N ATOM 681 CA GLY A 48 -6.939 -6.451 -5.074 1.00 0.00 C ATOM 682 C GLY A 48 -5.966 -5.608 -5.875 1.00 0.00 C ATOM 683 O GLY A 48 -5.585 -5.975 -6.987 1.00 0.00 O ATOM 0 H GLY A 48 -6.150 -6.524 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.691 -7.505 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.946 -6.311 -5.467 1.00 0.00 H new ATOM 687 N HIS A 49 -5.564 -4.474 -5.310 1.00 0.00 N ATOM 688 CA HIS A 49 -4.630 -3.576 -5.980 1.00 0.00 C ATOM 689 C HIS A 49 -3.197 -3.849 -5.532 1.00 0.00 C ATOM 690 O HIS A 49 -2.935 -4.046 -4.346 1.00 0.00 O ATOM 691 CB HIS A 49 -4.997 -2.119 -5.694 1.00 0.00 C ATOM 692 CG HIS A 49 -6.249 -1.671 -6.382 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.388 -0.424 -6.955 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.423 -2.311 -6.590 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.594 -0.316 -7.483 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.242 -1.449 -7.276 1.00 0.00 N ATOM 0 H HIS A 49 -5.870 -4.155 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.697 -3.756 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.116 -1.987 -4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.172 -1.477 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.670 -3.314 -6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.984 0.550 -7.996 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.196 -1.650 -7.577 1.00 0.00 H new ATOM 704 N ARG A 50 -2.276 -3.860 -6.489 1.00 0.00 N ATOM 705 CA ARG A 50 -0.870 -4.111 -6.194 1.00 0.00 C ATOM 706 C ARG A 50 -0.140 -2.810 -5.876 1.00 0.00 C ATOM 707 O ARG A 50 -0.435 -1.764 -6.457 1.00 0.00 O ATOM 708 CB ARG A 50 -0.196 -4.812 -7.375 1.00 0.00 C ATOM 709 CG ARG A 50 1.310 -4.950 -7.222 1.00 0.00 C ATOM 710 CD ARG A 50 2.000 -5.056 -8.573 1.00 0.00 C ATOM 711 NE ARG A 50 3.247 -5.810 -8.493 1.00 0.00 N ATOM 712 CZ ARG A 50 3.991 -6.115 -9.551 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.615 -5.730 -10.763 1.00 0.00 N ATOM 714 NH2 ARG A 50 5.114 -6.805 -9.398 1.00 0.00 N ATOM 0 H ARG A 50 -2.478 -3.698 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.819 -4.759 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.633 -5.803 -7.496 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.411 -4.256 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.702 -4.090 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.537 -5.834 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.330 -5.538 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.205 -4.056 -8.955 1.00 0.00 H new ATOM 0 HE ARG A 50 3.565 -6.120 -7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.753 -5.198 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.188 -5.965 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.407 -7.102 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.684 -7.038 -10.211 1.00 0.00 H new ATOM 728 N ILE A 51 0.812 -2.881 -4.953 1.00 0.00 N ATOM 729 CA ILE A 51 1.584 -1.709 -4.559 1.00 0.00 C ATOM 730 C ILE A 51 2.728 -1.452 -5.534 1.00 0.00 C ATOM 731 O ILE A 51 3.456 -2.372 -5.909 1.00 0.00 O ATOM 732 CB ILE A 51 2.159 -1.864 -3.139 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.123 -2.505 -2.213 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.599 -0.513 -2.595 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.054 -1.604 -1.908 1.00 0.00 C ATOM 0 H ILE A 51 1.068 -3.738 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 51 0.900 -0.861 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 51 3.031 -2.517 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.758 -3.424 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.608 -2.785 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.003 -0.639 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.366 -0.092 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.743 0.161 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.748 -2.123 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.300 -0.695 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.563 -1.344 -2.836 1.00 0.00 H new ATOM 747 N ILE A 52 2.883 -0.196 -5.938 1.00 0.00 N ATOM 748 CA ILE A 52 3.941 0.182 -6.866 1.00 0.00 C ATOM 749 C ILE A 52 4.893 1.192 -6.233 1.00 0.00 C ATOM 750 O ILE A 52 5.984 1.438 -6.747 1.00 0.00 O ATOM 751 CB ILE A 52 3.365 0.781 -8.163 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.476 1.984 -7.844 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.583 -0.274 -8.931 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.138 2.823 -9.057 1.00 0.00 C ATOM 0 H ILE A 52 2.289 0.577 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 52 4.489 -0.729 -7.107 1.00 0.00 H new ATOM 0 HB ILE A 52 4.191 1.120 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.551 1.631 -7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.977 2.611 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.182 0.164 -9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.243 -1.103 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.763 -0.640 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.505 3.658 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.056 3.205 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.608 2.211 -9.787 1.00 0.00 H new ATOM 766 N GLU A 53 4.473 1.771 -5.113 1.00 0.00 N ATOM 767 CA GLU A 53 5.289 2.753 -4.409 1.00 0.00 C ATOM 768 C GLU A 53 4.824 2.913 -2.964 1.00 0.00 C ATOM 769 O GLU A 53 3.654 2.691 -2.650 1.00 0.00 O ATOM 770 CB GLU A 53 5.233 4.104 -5.126 1.00 0.00 C ATOM 771 CG GLU A 53 6.488 4.941 -4.946 1.00 0.00 C ATOM 772 CD GLU A 53 6.459 6.219 -5.762 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.588 7.073 -5.494 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.306 6.365 -6.667 1.00 0.00 O ATOM 0 H GLU A 53 3.573 1.577 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 53 6.318 2.394 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.069 3.934 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.375 4.666 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.606 5.190 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.358 4.351 -5.233 1.00 0.00 H new ATOM 781 N ILE A 54 5.748 3.297 -2.091 1.00 0.00 N ATOM 782 CA ILE A 54 5.433 3.486 -0.680 1.00 0.00 C ATOM 783 C ILE A 54 6.265 4.613 -0.077 1.00 0.00 C ATOM 784 O ILE A 54 7.447 4.759 -0.387 1.00 0.00 O ATOM 785 CB ILE A 54 5.673 2.197 0.128 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.168 1.877 0.186 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.901 1.037 -0.483 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.874 2.499 1.371 1.00 0.00 C ATOM 0 H ILE A 54 6.721 3.483 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 54 4.376 3.748 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 54 5.313 2.351 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.299 0.795 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.642 2.225 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.081 0.133 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.835 1.266 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.233 0.879 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.930 2.230 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.775 3.584 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.427 2.132 2.295 1.00 0.00 H new ATOM 800 N ASN A 55 5.640 5.406 0.787 1.00 0.00 N ATOM 801 CA ASN A 55 6.323 6.520 1.435 1.00 0.00 C ATOM 802 C ASN A 55 7.325 7.169 0.486 1.00 0.00 C ATOM 803 O ASN A 55 8.356 7.687 0.914 1.00 0.00 O ATOM 804 CB ASN A 55 7.037 6.040 2.700 1.00 0.00 C ATOM 805 CG ASN A 55 6.072 5.523 3.748 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.443 6.300 4.466 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.951 4.204 3.841 1.00 0.00 N ATOM 0 H ASN A 55 4.662 5.298 1.055 1.00 0.00 H new ATOM 0 HA ASN A 55 5.575 7.264 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.742 5.251 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.619 6.861 3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.317 3.797 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.492 3.598 3.225 1.00 0.00 H new ATOM 814 N GLY A 56 7.015 7.138 -0.807 1.00 0.00 N ATOM 815 CA GLY A 56 7.898 7.727 -1.796 1.00 0.00 C ATOM 816 C GLY A 56 9.081 6.836 -2.122 1.00 0.00 C ATOM 817 O GLY A 56 10.208 7.312 -2.248 1.00 0.00 O ATOM 0 H GLY A 56 6.168 6.715 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.335 7.926 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.261 8.687 -1.429 1.00 0.00 H new ATOM 821 N GLN A 57 8.823 5.539 -2.256 1.00 0.00 N ATOM 822 CA GLN A 57 9.876 4.579 -2.566 1.00 0.00 C ATOM 823 C GLN A 57 9.366 3.498 -3.514 1.00 0.00 C ATOM 824 O GLN A 57 8.369 2.833 -3.234 1.00 0.00 O ATOM 825 CB GLN A 57 10.406 3.939 -1.282 1.00 0.00 C ATOM 826 CG GLN A 57 11.222 4.889 -0.420 1.00 0.00 C ATOM 827 CD GLN A 57 12.602 5.154 -0.989 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.741 5.663 -2.102 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.633 4.809 -0.227 1.00 0.00 N ATOM 0 H GLN A 57 7.895 5.129 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 57 10.688 5.115 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.565 3.564 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.022 3.078 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.687 5.833 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.320 4.471 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.473 4.390 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.586 4.963 -0.558 1.00 0.00 H new ATOM 838 N SER A 58 10.057 3.329 -4.637 1.00 0.00 N ATOM 839 CA SER A 58 9.672 2.332 -5.628 1.00 0.00 C ATOM 840 C SER A 58 9.723 0.927 -5.035 1.00 0.00 C ATOM 841 O SER A 58 10.761 0.489 -4.537 1.00 0.00 O ATOM 842 CB SER A 58 10.589 2.416 -6.850 1.00 0.00 C ATOM 843 OG SER A 58 10.277 1.405 -7.792 1.00 0.00 O ATOM 0 H SER A 58 10.886 3.870 -4.883 1.00 0.00 H new ATOM 0 HA SER A 58 8.647 2.540 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.489 3.396 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.628 2.317 -6.536 1.00 0.00 H new ATOM 0 HG SER A 58 10.876 1.481 -8.564 1.00 0.00 H new ATOM 849 N VAL A 59 8.596 0.226 -5.092 1.00 0.00 N ATOM 850 CA VAL A 59 8.511 -1.130 -4.561 1.00 0.00 C ATOM 851 C VAL A 59 8.171 -2.130 -5.660 1.00 0.00 C ATOM 852 O VAL A 59 8.180 -3.340 -5.438 1.00 0.00 O ATOM 853 CB VAL A 59 7.455 -1.231 -3.445 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.906 -0.465 -2.211 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.109 -0.719 -3.938 1.00 0.00 C ATOM 0 H VAL A 59 7.729 0.574 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 59 9.490 -1.369 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 59 7.341 -2.280 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.147 -0.548 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.845 -0.882 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.050 0.585 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.374 -0.798 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.205 0.324 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.782 -1.316 -4.790 1.00 0.00 H new ATOM 865 N VAL A 60 7.871 -1.615 -6.849 1.00 0.00 N ATOM 866 CA VAL A 60 7.528 -2.463 -7.985 1.00 0.00 C ATOM 867 C VAL A 60 8.598 -3.523 -8.221 1.00 0.00 C ATOM 868 O VAL A 60 8.301 -4.628 -8.674 1.00 0.00 O ATOM 869 CB VAL A 60 7.351 -1.634 -9.270 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.551 -0.726 -9.491 1.00 0.00 C ATOM 871 CG2 VAL A 60 7.135 -2.547 -10.468 1.00 0.00 C ATOM 0 H VAL A 60 7.859 -0.615 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 60 6.584 -2.951 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 60 6.467 -1.006 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.407 -0.148 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.654 -0.047 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.453 -1.331 -9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.012 -1.944 -11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.998 -3.203 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.241 -3.149 -10.310 1.00 0.00 H new ATOM 881 N ALA A 61 9.843 -3.179 -7.910 1.00 0.00 N ATOM 882 CA ALA A 61 10.957 -4.103 -8.086 1.00 0.00 C ATOM 883 C ALA A 61 11.610 -4.436 -6.749 1.00 0.00 C ATOM 884 O ALA A 61 12.790 -4.785 -6.691 1.00 0.00 O ATOM 885 CB ALA A 61 11.983 -3.516 -9.045 1.00 0.00 C ATOM 0 H ALA A 61 10.106 -2.268 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 61 10.566 -5.028 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.809 -4.216 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.515 -3.335 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.361 -2.576 -8.643 1.00 0.00 H new ATOM 891 N THR A 62 10.836 -4.326 -5.673 1.00 0.00 N ATOM 892 CA THR A 62 11.340 -4.614 -4.336 1.00 0.00 C ATOM 893 C THR A 62 10.710 -5.882 -3.773 1.00 0.00 C ATOM 894 O THR A 62 9.515 -6.133 -3.931 1.00 0.00 O ATOM 895 CB THR A 62 11.068 -3.445 -3.370 1.00 0.00 C ATOM 896 OG1 THR A 62 11.762 -2.273 -3.811 1.00 0.00 O ATOM 897 CG2 THR A 62 11.506 -3.799 -1.957 1.00 0.00 C ATOM 0 H THR A 62 9.858 -4.039 -5.702 1.00 0.00 H new ATOM 0 HA THR A 62 12.417 -4.757 -4.427 1.00 0.00 H new ATOM 0 HB THR A 62 9.996 -3.250 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.582 -1.534 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.304 -2.959 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.954 -4.674 -1.614 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.574 -4.018 -1.951 1.00 0.00 H new ATOM 905 N PRO A 63 11.530 -6.701 -3.098 1.00 0.00 N ATOM 906 CA PRO A 63 11.073 -7.958 -2.496 1.00 0.00 C ATOM 907 C PRO A 63 10.158 -7.727 -1.298 1.00 0.00 C ATOM 908 O PRO A 63 10.355 -6.789 -0.525 1.00 0.00 O ATOM 909 CB PRO A 63 12.374 -8.632 -2.053 1.00 0.00 C ATOM 910 CG PRO A 63 13.334 -7.510 -1.854 1.00 0.00 C ATOM 911 CD PRO A 63 12.965 -6.465 -2.871 1.00 0.00 C ATOM 0 HA PRO A 63 10.484 -8.554 -3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.232 -9.200 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.734 -9.332 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.264 -7.111 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.361 -7.846 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.152 -5.458 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.541 -6.577 -3.790 1.00 0.00 H new ATOM 919 N HIS A 64 9.157 -8.589 -1.149 1.00 0.00 N ATOM 920 CA HIS A 64 8.211 -8.479 -0.044 1.00 0.00 C ATOM 921 C HIS A 64 8.936 -8.163 1.261 1.00 0.00 C ATOM 922 O HIS A 64 8.587 -7.213 1.961 1.00 0.00 O ATOM 923 CB HIS A 64 7.414 -9.776 0.103 1.00 0.00 C ATOM 924 CG HIS A 64 6.411 -9.739 1.214 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.049 -9.763 1.000 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.578 -9.682 2.556 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.422 -9.720 2.162 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.327 -9.671 3.123 1.00 0.00 N ATOM 0 H HIS A 64 8.980 -9.371 -1.779 1.00 0.00 H new ATOM 0 HA HIS A 64 7.524 -7.662 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.898 -9.984 -0.834 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.106 -10.600 0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.520 -9.651 3.083 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.351 -9.724 2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.129 -9.631 4.123 1.00 0.00 H new ATOM 936 N ALA A 65 9.944 -8.967 1.582 1.00 0.00 N ATOM 937 CA ALA A 65 10.718 -8.772 2.802 1.00 0.00 C ATOM 938 C ALA A 65 10.987 -7.292 3.051 1.00 0.00 C ATOM 939 O ALA A 65 10.593 -6.744 4.080 1.00 0.00 O ATOM 940 CB ALA A 65 12.028 -9.543 2.725 1.00 0.00 C ATOM 0 H ALA A 65 10.244 -9.760 1.014 1.00 0.00 H new ATOM 0 HA ALA A 65 10.133 -9.154 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.596 -9.388 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.818 -10.606 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.610 -9.188 1.874 1.00 0.00 H new ATOM 946 N ARG A 66 11.661 -6.650 2.101 1.00 0.00 N ATOM 947 CA ARG A 66 11.984 -5.233 2.219 1.00 0.00 C ATOM 948 C ARG A 66 10.718 -4.399 2.396 1.00 0.00 C ATOM 949 O ARG A 66 10.629 -3.573 3.304 1.00 0.00 O ATOM 950 CB ARG A 66 12.751 -4.759 0.983 1.00 0.00 C ATOM 951 CG ARG A 66 12.935 -3.251 0.922 1.00 0.00 C ATOM 952 CD ARG A 66 13.753 -2.742 2.099 1.00 0.00 C ATOM 953 NE ARG A 66 14.516 -1.544 1.757 1.00 0.00 N ATOM 954 CZ ARG A 66 15.283 -0.889 2.622 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.388 -1.315 3.873 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.946 0.193 2.236 1.00 0.00 N ATOM 0 H ARG A 66 11.993 -7.089 1.242 1.00 0.00 H new ATOM 0 HA ARG A 66 12.611 -5.101 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.730 -5.237 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.222 -5.089 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.430 -2.981 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.960 -2.764 0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.088 -2.522 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.436 -3.524 2.432 1.00 0.00 H new ATOM 0 HE ARG A 66 14.457 -1.191 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.880 -2.147 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.977 -0.811 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.867 0.523 1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.534 0.695 2.901 1.00 0.00 H new ATOM 970 N ILE A 67 9.742 -4.622 1.522 1.00 0.00 N ATOM 971 CA ILE A 67 8.482 -3.892 1.583 1.00 0.00 C ATOM 972 C ILE A 67 7.907 -3.904 2.995 1.00 0.00 C ATOM 973 O ILE A 67 7.553 -2.858 3.540 1.00 0.00 O ATOM 974 CB ILE A 67 7.442 -4.484 0.613 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.980 -4.465 -0.819 1.00 0.00 C ATOM 976 CG2 ILE A 67 6.134 -3.711 0.703 1.00 0.00 C ATOM 977 CD1 ILE A 67 7.115 -5.227 -1.799 1.00 0.00 C ATOM 0 H ILE A 67 9.800 -5.302 0.764 1.00 0.00 H new ATOM 0 HA ILE A 67 8.698 -2.865 1.290 1.00 0.00 H new ATOM 0 HB ILE A 67 7.250 -5.519 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.068 -3.431 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.984 -4.889 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.409 -4.141 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.746 -3.770 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.309 -2.667 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.557 -5.171 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.047 -6.270 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.117 -4.789 -1.820 1.00 0.00 H new ATOM 989 N ILE A 68 7.820 -5.092 3.583 1.00 0.00 N ATOM 990 CA ILE A 68 7.291 -5.239 4.933 1.00 0.00 C ATOM 991 C ILE A 68 8.081 -4.394 5.927 1.00 0.00 C ATOM 992 O ILE A 68 7.503 -3.725 6.784 1.00 0.00 O ATOM 993 CB ILE A 68 7.317 -6.709 5.392 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.534 -7.585 4.412 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.748 -6.836 6.797 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.065 -7.235 4.330 1.00 0.00 C ATOM 0 H ILE A 68 8.109 -5.967 3.146 1.00 0.00 H new ATOM 0 HA ILE A 68 6.257 -4.894 4.906 1.00 0.00 H new ATOM 0 HB ILE A 68 8.352 -7.051 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.977 -7.492 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.635 -8.629 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.773 -7.881 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.344 -6.239 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.718 -6.480 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.573 -7.896 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.607 -7.355 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.955 -6.201 4.002 1.00 0.00 H new ATOM 1008 N GLU A 69 9.404 -4.429 5.806 1.00 0.00 N ATOM 1009 CA GLU A 69 10.273 -3.665 6.694 1.00 0.00 C ATOM 1010 C GLU A 69 10.012 -2.168 6.554 1.00 0.00 C ATOM 1011 O GLU A 69 9.892 -1.452 7.549 1.00 0.00 O ATOM 1012 CB GLU A 69 11.742 -3.969 6.392 1.00 0.00 C ATOM 1013 CG GLU A 69 12.290 -5.154 7.168 1.00 0.00 C ATOM 1014 CD GLU A 69 12.566 -4.822 8.622 1.00 0.00 C ATOM 1015 OE1 GLU A 69 11.596 -4.553 9.362 1.00 0.00 O ATOM 1016 OE2 GLU A 69 13.749 -4.831 9.019 1.00 0.00 O ATOM 0 H GLU A 69 9.898 -4.978 5.102 1.00 0.00 H new ATOM 0 HA GLU A 69 10.052 -3.960 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.852 -4.162 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.341 -3.087 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.578 -5.978 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.211 -5.498 6.697 1.00 0.00 H new ATOM 1023 N LEU A 70 9.927 -1.702 5.313 1.00 0.00 N ATOM 1024 CA LEU A 70 9.681 -0.290 5.042 1.00 0.00 C ATOM 1025 C LEU A 70 8.362 0.163 5.661 1.00 0.00 C ATOM 1026 O LEU A 70 8.347 0.949 6.609 1.00 0.00 O ATOM 1027 CB LEU A 70 9.663 -0.036 3.534 1.00 0.00 C ATOM 1028 CG LEU A 70 11.029 0.086 2.857 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.878 0.069 1.344 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.738 1.353 3.311 1.00 0.00 C ATOM 0 H LEU A 70 10.025 -2.281 4.479 1.00 0.00 H new ATOM 0 HA LEU A 70 10.489 0.287 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.114 -0.847 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.104 0.881 3.347 1.00 0.00 H new ATOM 0 HG LEU A 70 11.636 -0.770 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.860 0.157 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.413 -0.867 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.253 0.905 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.708 1.423 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.134 2.222 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.880 1.323 4.391 1.00 0.00 H new ATOM 1042 N LEU A 71 7.258 -0.341 5.121 1.00 0.00 N ATOM 1043 CA LEU A 71 5.933 0.009 5.622 1.00 0.00 C ATOM 1044 C LEU A 71 5.918 0.039 7.147 1.00 0.00 C ATOM 1045 O LEU A 71 5.619 1.066 7.756 1.00 0.00 O ATOM 1046 CB LEU A 71 4.893 -0.988 5.109 1.00 0.00 C ATOM 1047 CG LEU A 71 4.328 -0.711 3.715 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.662 -1.957 3.152 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.343 0.448 3.760 1.00 0.00 C ATOM 0 H LEU A 71 7.254 -0.993 4.337 1.00 0.00 H new ATOM 0 HA LEU A 71 5.684 1.005 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.342 -1.981 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.064 -1.014 5.816 1.00 0.00 H new ATOM 0 HG LEU A 71 5.153 -0.436 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.266 -1.741 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.394 -2.761 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.848 -2.263 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.951 0.631 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.521 0.201 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.850 1.343 4.120 1.00 0.00 H new ATOM 1061 N THR A 72 6.244 -1.096 7.759 1.00 0.00 N ATOM 1062 CA THR A 72 6.269 -1.200 9.212 1.00 0.00 C ATOM 1063 C THR A 72 7.198 -0.157 9.823 1.00 0.00 C ATOM 1064 O THR A 72 6.911 0.398 10.882 1.00 0.00 O ATOM 1065 CB THR A 72 6.719 -2.601 9.667 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.823 -3.594 9.155 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.766 -2.688 11.185 1.00 0.00 C ATOM 0 H THR A 72 6.494 -1.956 7.270 1.00 0.00 H new ATOM 0 HA THR A 72 5.251 -1.023 9.559 1.00 0.00 H new ATOM 0 HB THR A 72 7.721 -2.781 9.277 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.129 -3.886 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.086 -3.686 11.482 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.471 -1.951 11.570 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.775 -2.489 11.592 1.00 0.00 H new ATOM 1075 N GLU A 73 8.313 0.104 9.146 1.00 0.00 N ATOM 1076 CA GLU A 73 9.284 1.081 9.624 1.00 0.00 C ATOM 1077 C GLU A 73 8.737 2.500 9.495 1.00 0.00 C ATOM 1078 O GLU A 73 9.265 3.436 10.094 1.00 0.00 O ATOM 1079 CB GLU A 73 10.594 0.954 8.844 1.00 0.00 C ATOM 1080 CG GLU A 73 11.496 -0.162 9.345 1.00 0.00 C ATOM 1081 CD GLU A 73 12.208 0.199 10.634 1.00 0.00 C ATOM 1082 OE1 GLU A 73 11.517 0.429 11.648 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.456 0.250 10.629 1.00 0.00 O ATOM 0 H GLU A 73 8.565 -0.347 8.267 1.00 0.00 H new ATOM 0 HA GLU A 73 9.476 0.879 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.365 0.780 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.134 1.899 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.901 -1.062 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.235 -0.398 8.580 1.00 0.00 H new ATOM 1090 N ALA A 74 7.677 2.649 8.708 1.00 0.00 N ATOM 1091 CA ALA A 74 7.057 3.952 8.501 1.00 0.00 C ATOM 1092 C ALA A 74 5.955 4.205 9.523 1.00 0.00 C ATOM 1093 O ALA A 74 4.952 3.491 9.559 1.00 0.00 O ATOM 1094 CB ALA A 74 6.502 4.054 7.088 1.00 0.00 C ATOM 0 H ALA A 74 7.230 1.884 8.203 1.00 0.00 H new ATOM 0 HA ALA A 74 7.823 4.716 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.042 5.032 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.311 3.927 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.754 3.276 6.934 1.00 0.00 H new ATOM 1100 N TYR A 75 6.147 5.224 10.353 1.00 0.00 N ATOM 1101 CA TYR A 75 5.170 5.569 11.379 1.00 0.00 C ATOM 1102 C TYR A 75 4.421 6.846 11.011 1.00 0.00 C ATOM 1103 O TYR A 75 4.850 7.602 10.140 1.00 0.00 O ATOM 1104 CB TYR A 75 5.860 5.741 12.733 1.00 0.00 C ATOM 1105 CG TYR A 75 6.986 4.760 12.968 1.00 0.00 C ATOM 1106 CD1 TYR A 75 6.732 3.485 13.459 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.304 5.108 12.701 1.00 0.00 C ATOM 1108 CE1 TYR A 75 7.758 2.586 13.676 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.336 4.215 12.913 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.058 2.955 13.401 1.00 0.00 C ATOM 1111 OH TYR A 75 10.083 2.062 13.615 1.00 0.00 O ATOM 0 H TYR A 75 6.970 5.826 10.335 1.00 0.00 H new ATOM 0 HA TYR A 75 4.450 4.754 11.447 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.252 6.755 12.805 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.120 5.628 13.525 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.715 3.192 13.675 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.526 6.094 12.321 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.543 1.599 14.059 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.355 4.501 12.698 1.00 0.00 H new ATOM 0 HH TYR A 75 10.368 1.679 12.759 1.00 0.00 H new ATOM 1121 N GLY A 76 3.297 7.080 11.683 1.00 0.00 N ATOM 1122 CA GLY A 76 2.506 8.266 11.414 1.00 0.00 C ATOM 1123 C GLY A 76 1.913 8.263 10.018 1.00 0.00 C ATOM 1124 O GLY A 76 1.190 7.340 9.647 1.00 0.00 O ATOM 0 H GLY A 76 2.921 6.469 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.702 8.337 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.130 9.151 11.539 1.00 0.00 H new ATOM 1128 N GLU A 77 2.219 9.301 9.245 1.00 0.00 N ATOM 1129 CA GLU A 77 1.708 9.415 7.884 1.00 0.00 C ATOM 1130 C GLU A 77 2.414 8.432 6.954 1.00 0.00 C ATOM 1131 O GLU A 77 3.640 8.441 6.838 1.00 0.00 O ATOM 1132 CB GLU A 77 1.888 10.843 7.366 1.00 0.00 C ATOM 1133 CG GLU A 77 0.910 11.220 6.266 1.00 0.00 C ATOM 1134 CD GLU A 77 0.776 12.720 6.093 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.782 13.433 6.291 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.335 13.181 5.758 1.00 0.00 O ATOM 0 H GLU A 77 2.817 10.074 9.538 1.00 0.00 H new ATOM 0 HA GLU A 77 0.645 9.174 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.773 11.539 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.905 10.959 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.239 10.778 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.068 10.796 6.493 1.00 0.00 H new ATOM 1143 N VAL A 78 1.631 7.584 6.294 1.00 0.00 N ATOM 1144 CA VAL A 78 2.180 6.595 5.374 1.00 0.00 C ATOM 1145 C VAL A 78 1.449 6.624 4.036 1.00 0.00 C ATOM 1146 O VAL A 78 0.292 6.213 3.940 1.00 0.00 O ATOM 1147 CB VAL A 78 2.096 5.174 5.962 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.431 4.136 4.902 1.00 0.00 C ATOM 1149 CG2 VAL A 78 3.021 5.039 7.163 1.00 0.00 C ATOM 0 H VAL A 78 0.615 7.562 6.379 1.00 0.00 H new ATOM 0 HA VAL A 78 3.227 6.854 5.218 1.00 0.00 H new ATOM 0 HB VAL A 78 1.074 4.999 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.366 3.138 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.725 4.219 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.442 4.306 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.949 4.029 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.048 5.234 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.729 5.757 7.929 1.00 0.00 H new ATOM 1159 N HIS A 79 2.132 7.111 3.005 1.00 0.00 N ATOM 1160 CA HIS A 79 1.548 7.192 1.671 1.00 0.00 C ATOM 1161 C HIS A 79 1.735 5.880 0.916 1.00 0.00 C ATOM 1162 O HIS A 79 2.862 5.453 0.664 1.00 0.00 O ATOM 1163 CB HIS A 79 2.179 8.342 0.885 1.00 0.00 C ATOM 1164 CG HIS A 79 1.954 9.686 1.504 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.675 10.818 0.766 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.965 10.077 2.800 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.526 11.847 1.582 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.697 11.424 2.821 1.00 0.00 N ATOM 0 H HIS A 79 3.090 7.455 3.068 1.00 0.00 H new ATOM 0 HA HIS A 79 0.480 7.379 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.251 8.166 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.774 8.345 -0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.596 10.855 -0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.150 9.447 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.302 12.861 1.286 1.00 0.00 H new ATOM 1176 N ILE A 80 0.624 5.246 0.557 1.00 0.00 N ATOM 1177 CA ILE A 80 0.666 3.983 -0.170 1.00 0.00 C ATOM 1178 C ILE A 80 -0.001 4.112 -1.535 1.00 0.00 C ATOM 1179 O ILE A 80 -1.216 4.289 -1.631 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.023 2.855 0.621 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.759 2.549 1.900 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.151 1.608 -0.240 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.010 1.703 2.890 1.00 0.00 C ATOM 0 H ILE A 80 -0.316 5.586 0.758 1.00 0.00 H new ATOM 0 HA ILE A 80 1.718 3.731 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.024 3.184 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.684 2.036 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.040 3.488 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.640 0.819 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.746 1.836 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.840 1.273 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.605 1.526 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.922 2.224 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.268 0.749 2.430 1.00 0.00 H new ATOM 1195 N LYS A 81 0.801 4.021 -2.590 1.00 0.00 N ATOM 1196 CA LYS A 81 0.290 4.124 -3.952 1.00 0.00 C ATOM 1197 C LYS A 81 -0.133 2.757 -4.479 1.00 0.00 C ATOM 1198 O LYS A 81 0.707 1.915 -4.799 1.00 0.00 O ATOM 1199 CB LYS A 81 1.351 4.732 -4.872 1.00 0.00 C ATOM 1200 CG LYS A 81 0.790 5.259 -6.181 1.00 0.00 C ATOM 1201 CD LYS A 81 1.750 6.232 -6.847 1.00 0.00 C ATOM 1202 CE LYS A 81 1.704 7.601 -6.186 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.554 7.655 -4.965 1.00 0.00 N ATOM 0 H LYS A 81 1.809 3.876 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.585 4.774 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.852 5.545 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.108 3.978 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.590 4.425 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.163 5.755 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.764 5.836 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.498 6.328 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.038 8.358 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.674 7.843 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.111 8.534 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.949 7.631 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.197 6.838 -4.953 1.00 0.00 H new ATOM 1217 N THR A 82 -1.442 2.541 -4.569 1.00 0.00 N ATOM 1218 CA THR A 82 -1.976 1.276 -5.058 1.00 0.00 C ATOM 1219 C THR A 82 -2.294 1.353 -6.547 1.00 0.00 C ATOM 1220 O THR A 82 -2.576 2.427 -7.076 1.00 0.00 O ATOM 1221 CB THR A 82 -3.250 0.871 -4.292 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.034 2.033 -3.996 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.898 0.148 -3.001 1.00 0.00 C ATOM 0 H THR A 82 -2.152 3.226 -4.309 1.00 0.00 H new ATOM 0 HA THR A 82 -1.206 0.522 -4.892 1.00 0.00 H new ATOM 0 HB THR A 82 -3.827 0.195 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.983 2.662 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.813 -0.128 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.327 -0.751 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.301 0.804 -2.367 1.00 0.00 H new ATOM 1231 N MET A 83 -2.248 0.206 -7.217 1.00 0.00 N ATOM 1232 CA MET A 83 -2.534 0.144 -8.645 1.00 0.00 C ATOM 1233 C MET A 83 -3.103 -1.219 -9.027 1.00 0.00 C ATOM 1234 O MET A 83 -2.631 -2.264 -8.577 1.00 0.00 O ATOM 1235 CB MET A 83 -1.266 0.425 -9.453 1.00 0.00 C ATOM 1236 CG MET A 83 -1.481 0.381 -10.957 1.00 0.00 C ATOM 1237 SD MET A 83 -1.921 1.989 -11.643 1.00 0.00 S ATOM 1238 CE MET A 83 -0.583 2.238 -12.808 1.00 0.00 C ATOM 0 H MET A 83 -2.015 -0.692 -6.794 1.00 0.00 H new ATOM 0 HA MET A 83 -3.279 0.906 -8.875 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.880 1.407 -9.178 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.503 -0.305 -9.182 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.572 0.021 -11.440 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.270 -0.336 -11.187 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.733 3.178 -13.339 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.365 2.272 -12.271 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.565 1.416 -13.523 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.141 -1.211 -9.876 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.796 -2.439 -10.337 1.00 0.00 C ATOM 1250 C PRO A 84 -3.910 -3.252 -11.274 1.00 0.00 C ATOM 1251 O PRO A 84 -3.620 -2.829 -12.393 1.00 0.00 O ATOM 1252 CB PRO A 84 -6.031 -1.925 -11.081 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.663 -0.549 -11.519 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.755 -0.003 -10.452 1.00 0.00 C ATOM 0 HA PRO A 84 -5.028 -3.111 -9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.273 -2.560 -11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.907 -1.913 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.161 -0.569 -12.486 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.550 0.074 -11.633 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.005 0.670 -10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.310 0.562 -9.703 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.482 -4.422 -10.810 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.631 -5.295 -11.609 1.00 0.00 C ATOM 1264 C ALA A 85 -3.017 -5.241 -13.083 1.00 0.00 C ATOM 1265 O ALA A 85 -2.161 -5.327 -13.962 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.710 -6.725 -11.093 1.00 0.00 C ATOM 0 H ALA A 85 -3.711 -4.787 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.604 -4.942 -11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.070 -7.366 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.378 -6.756 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.739 -7.078 -11.155 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.312 -5.098 -13.345 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.811 -5.031 -14.713 1.00 0.00 C ATOM 1274 C ALA A 86 -4.131 -3.910 -15.491 1.00 0.00 C ATOM 1275 O ALA A 86 -3.348 -4.162 -16.408 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.320 -4.837 -14.715 1.00 0.00 C ATOM 0 H ALA A 86 -5.034 -5.026 -12.628 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.576 -5.974 -15.206 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.679 -4.789 -15.743 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.795 -5.674 -14.204 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.568 -3.909 -14.200 1.00 0.00 H new ATOM 1282 N THR A 87 -4.435 -2.669 -15.121 1.00 0.00 N ATOM 1283 CA THR A 87 -3.854 -1.510 -15.786 1.00 0.00 C ATOM 1284 C THR A 87 -2.339 -1.639 -15.893 1.00 0.00 C ATOM 1285 O THR A 87 -1.790 -1.735 -16.991 1.00 0.00 O ATOM 1286 CB THR A 87 -4.195 -0.206 -15.040 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.593 -0.170 -14.731 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.825 1.009 -15.878 1.00 0.00 C ATOM 0 H THR A 87 -5.080 -2.442 -14.364 1.00 0.00 H new ATOM 0 HA THR A 87 -4.284 -1.471 -16.787 1.00 0.00 H new ATOM 0 HB THR A 87 -3.618 -0.180 -14.116 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.802 0.661 -14.255 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.075 1.918 -15.331 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.756 0.994 -16.088 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.379 0.986 -16.816 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.668 -1.640 -14.746 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.215 -1.756 -14.712 1.00 0.00 C ATOM 1298 C TYR A 88 0.277 -2.758 -15.752 1.00 0.00 C ATOM 1299 O TYR A 88 1.100 -2.429 -16.607 1.00 0.00 O ATOM 1300 CB TYR A 88 0.251 -2.180 -13.318 1.00 0.00 C ATOM 1301 CG TYR A 88 1.624 -1.662 -12.954 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.960 -0.329 -13.154 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.585 -2.505 -12.411 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.214 0.149 -12.824 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.841 -2.036 -12.077 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.150 -0.708 -12.285 1.00 0.00 C ATOM 1307 OH TYR A 88 5.400 -0.237 -11.955 1.00 0.00 O ATOM 0 H TYR A 88 -2.107 -1.562 -13.829 1.00 0.00 H new ATOM 0 HA TYR A 88 0.207 -0.779 -14.948 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.469 -1.826 -12.580 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.256 -3.269 -13.261 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.229 0.345 -13.575 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.346 -3.545 -12.247 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.459 1.188 -12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.576 -2.705 -11.656 1.00 0.00 H new ATOM 0 HH TYR A 88 5.496 -0.220 -10.980 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.233 -3.982 -15.671 1.00 0.00 N ATOM 1318 CA ARG A 89 0.153 -5.034 -16.604 1.00 0.00 C ATOM 1319 C ARG A 89 -0.062 -4.586 -18.047 1.00 0.00 C ATOM 1320 O ARG A 89 0.816 -4.748 -18.896 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.647 -6.308 -16.330 1.00 0.00 C ATOM 1322 CG ARG A 89 -0.062 -7.167 -15.220 1.00 0.00 C ATOM 1323 CD ARG A 89 0.927 -8.185 -15.766 1.00 0.00 C ATOM 1324 NE ARG A 89 0.275 -9.440 -16.133 1.00 0.00 N ATOM 1325 CZ ARG A 89 0.936 -10.552 -16.430 1.00 0.00 C ATOM 1326 NH1 ARG A 89 2.262 -10.567 -16.405 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.272 -11.654 -16.754 1.00 0.00 N ATOM 0 H ARG A 89 -0.915 -4.270 -14.969 1.00 0.00 H new ATOM 0 HA ARG A 89 1.213 -5.242 -16.460 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.669 -6.036 -16.067 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.700 -6.898 -17.245 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.436 -6.530 -14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.866 -7.684 -14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.430 -7.769 -16.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.695 -8.381 -15.018 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.744 -9.463 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.777 -9.722 -16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.767 -11.423 -16.634 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.748 -11.647 -16.775 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.781 -12.508 -16.982 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.235 -4.024 -18.318 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.566 -3.554 -19.659 1.00 0.00 C ATOM 1343 C LEU A 90 -0.623 -2.436 -20.092 1.00 0.00 C ATOM 1344 O LEU A 90 -0.352 -2.265 -21.281 1.00 0.00 O ATOM 1345 CB LEU A 90 -3.014 -3.062 -19.704 1.00 0.00 C ATOM 1346 CG LEU A 90 -4.072 -4.118 -20.025 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.465 -3.508 -19.981 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.805 -4.744 -21.386 1.00 0.00 C ATOM 0 H LEU A 90 -1.972 -3.883 -17.628 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.450 -4.389 -20.350 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.255 -2.616 -18.739 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.084 -2.268 -20.448 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.016 -4.902 -19.270 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.205 -4.274 -20.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.656 -3.108 -18.985 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.534 -2.704 -20.714 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.568 -5.493 -21.598 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.833 -3.971 -22.154 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.823 -5.217 -21.383 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.125 -1.680 -19.120 1.00 0.00 N ATOM 1361 CA LEU A 91 0.791 -0.579 -19.401 1.00 0.00 C ATOM 1362 C LEU A 91 2.158 -1.103 -19.829 1.00 0.00 C ATOM 1363 O LEU A 91 2.657 -0.764 -20.903 1.00 0.00 O ATOM 1364 CB LEU A 91 0.938 0.315 -18.168 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.325 1.049 -17.717 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.171 1.550 -16.289 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.636 2.204 -18.658 1.00 0.00 C ATOM 0 H LEU A 91 -0.339 -1.809 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 91 0.375 0.007 -20.220 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.293 -0.298 -17.340 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.712 1.056 -18.371 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.159 0.348 -17.746 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.080 2.070 -15.986 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.003 0.704 -15.623 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.675 2.235 -16.233 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.538 2.715 -18.321 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.198 2.905 -18.661 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.791 1.820 -19.666 1.00 0.00 H new