USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 63 TYR OH : rot 30:sc= -0.0237 USER MOD Set 1.2: A 69 THR OG1 : rot -150:sc= -0.391 USER MOD Single : A 9 MET CE :methyl -153:sc= -1.41 (180deg=-2.15!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.38 F(o=-2.1!,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 1.14 (180deg=-0.055) USER MOD Single : A 19 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.987 K(o=-0.99,f=-3.7!) USER MOD Single : A 35 THR OG1 : rot -149:sc= 0.106 USER MOD Single : A 38 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.553 K(o=-0.55,f=-3.9!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0824 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 140:sc= 0.00273 USER MOD Single : A 60 MET CE :methyl -156:sc= -0.0644 (180deg=-1.14) USER MOD Single : A 62 ASN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD Single : A 66 SER OG : rot 92:sc= 0.00338 USER MOD Single : A 79 GLN : amide:sc= -0.836 K(o=-0.84,f=-3.9!) USER MOD Single : A 80 MET CE :methyl 172:sc= -1.96 (180deg=-2.37) USER MOD Single : A 82 TYR OH : rot 58:sc= -1.74 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.648 8.150 1.618 1.00 0.00 N ATOM 69 CA ASP A 8 1.349 8.782 1.812 1.00 0.00 C ATOM 70 C ASP A 8 0.297 7.752 2.215 1.00 0.00 C ATOM 71 O ASP A 8 -0.774 7.673 1.613 1.00 0.00 O ATOM 72 CB ASP A 8 0.915 9.503 0.534 1.00 0.00 C ATOM 73 CG ASP A 8 1.601 10.844 0.364 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.557 11.658 1.311 1.00 0.00 O ATOM 75 OD2 ASP A 8 2.183 11.081 -0.714 1.00 0.00 O ATOM 0 HA ASP A 8 1.442 9.511 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.136 8.873 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.165 9.650 0.552 1.00 0.00 H new ATOM 80 N MET A 9 0.612 6.964 3.237 1.00 0.00 N ATOM 81 CA MET A 9 -0.304 5.938 3.722 1.00 0.00 C ATOM 82 C MET A 9 -1.132 6.452 4.898 1.00 0.00 C ATOM 83 O MET A 9 -2.226 5.954 5.162 1.00 0.00 O ATOM 84 CB MET A 9 0.473 4.687 4.137 1.00 0.00 C ATOM 85 CG MET A 9 0.398 3.558 3.121 1.00 0.00 C ATOM 86 SD MET A 9 -0.802 2.292 3.577 1.00 0.00 S ATOM 87 CE MET A 9 -0.786 1.266 2.110 1.00 0.00 C ATOM 0 H MET A 9 1.495 7.016 3.746 1.00 0.00 H new ATOM 0 HA MET A 9 -0.985 5.683 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.518 4.954 4.294 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.088 4.331 5.092 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.135 3.969 2.146 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.382 3.100 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.747 0.762 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.608 1.888 1.233 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.006 0.522 2.195 1.00 0.00 H new ATOM 97 N LYS A 10 -0.605 7.452 5.599 1.00 0.00 N ATOM 98 CA LYS A 10 -1.296 8.031 6.746 1.00 0.00 C ATOM 99 C LYS A 10 -2.690 8.517 6.357 1.00 0.00 C ATOM 100 O LYS A 10 -3.636 8.413 7.139 1.00 0.00 O ATOM 101 CB LYS A 10 -0.482 9.189 7.328 1.00 0.00 C ATOM 102 CG LYS A 10 -0.407 9.177 8.846 1.00 0.00 C ATOM 103 CD LYS A 10 -1.720 9.618 9.473 1.00 0.00 C ATOM 104 CE LYS A 10 -1.903 11.123 9.381 1.00 0.00 C ATOM 105 NZ LYS A 10 -3.334 11.517 9.500 1.00 0.00 N ATOM 0 H LYS A 10 0.298 7.878 5.392 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.402 7.254 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.529 9.152 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.922 10.131 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.157 8.174 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.395 9.837 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.549 9.118 8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.747 9.310 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.326 11.608 10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.506 11.479 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.416 12.552 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.881 11.075 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.706 11.200 10.418 1.00 0.00 H new ATOM 119 N GLN A 11 -2.810 9.047 5.144 1.00 0.00 N ATOM 120 CA GLN A 11 -4.088 9.550 4.654 1.00 0.00 C ATOM 121 C GLN A 11 -5.121 8.429 4.577 1.00 0.00 C ATOM 122 O GLN A 11 -6.298 8.636 4.869 1.00 0.00 O ATOM 123 CB GLN A 11 -3.912 10.193 3.277 1.00 0.00 C ATOM 124 CG GLN A 11 -3.385 9.235 2.220 1.00 0.00 C ATOM 125 CD GLN A 11 -3.133 9.917 0.890 1.00 0.00 C ATOM 126 OE1 GLN A 11 -3.374 9.197 -0.199 1.00 0.00 O flip ATOM 127 NE2 GLN A 11 -2.725 11.077 0.842 1.00 0.00 N flip ATOM 0 H GLN A 11 -2.039 9.139 4.483 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.447 10.303 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.871 10.593 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.227 11.037 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.458 8.783 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.101 8.425 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.553 11.593 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.559 11.522 -0.061 1.00 0.00 H new ATOM 136 N LEU A 12 -4.671 7.243 4.183 1.00 0.00 N ATOM 137 CA LEU A 12 -5.557 6.090 4.068 1.00 0.00 C ATOM 138 C LEU A 12 -6.193 5.757 5.414 1.00 0.00 C ATOM 139 O LEU A 12 -5.618 6.029 6.468 1.00 0.00 O ATOM 140 CB LEU A 12 -4.786 4.877 3.541 1.00 0.00 C ATOM 141 CG LEU A 12 -4.800 4.712 2.021 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.559 3.966 1.554 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.060 3.986 1.576 1.00 0.00 C ATOM 0 H LEU A 12 -3.699 7.055 3.938 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.350 6.341 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.751 4.951 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.202 3.977 3.993 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.796 5.703 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.586 3.858 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.669 4.526 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.532 2.979 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.053 3.877 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.095 3.000 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.936 4.560 1.878 1.00 0.00 H new ATOM 155 N ALA A 13 -7.382 5.166 5.372 1.00 0.00 N ATOM 156 CA ALA A 13 -8.096 4.795 6.588 1.00 0.00 C ATOM 157 C ALA A 13 -7.681 3.408 7.067 1.00 0.00 C ATOM 158 O ALA A 13 -7.256 2.568 6.273 1.00 0.00 O ATOM 159 CB ALA A 13 -9.598 4.849 6.355 1.00 0.00 C ATOM 0 H ALA A 13 -7.872 4.933 4.508 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.835 5.512 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.119 4.570 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.886 5.861 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.868 4.156 5.559 1.00 0.00 H new ATOM 165 N GLU A 14 -7.805 3.175 8.369 1.00 0.00 N ATOM 166 CA GLU A 14 -7.443 1.890 8.954 1.00 0.00 C ATOM 167 C GLU A 14 -8.307 0.769 8.385 1.00 0.00 C ATOM 168 O GLU A 14 -7.846 -0.360 8.219 1.00 0.00 O ATOM 169 CB GLU A 14 -7.588 1.940 10.477 1.00 0.00 C ATOM 170 CG GLU A 14 -6.476 1.218 11.219 1.00 0.00 C ATOM 171 CD GLU A 14 -6.821 0.952 12.671 1.00 0.00 C ATOM 172 OE1 GLU A 14 -6.700 1.887 13.490 1.00 0.00 O ATOM 173 OE2 GLU A 14 -7.210 -0.191 12.989 1.00 0.00 O ATOM 0 H GLU A 14 -8.154 3.860 9.039 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.403 1.685 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.610 2.982 10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.545 1.500 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.266 0.272 10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.565 1.814 11.169 1.00 0.00 H new ATOM 180 N ASP A 15 -9.562 1.090 8.087 1.00 0.00 N ATOM 181 CA ASP A 15 -10.490 0.109 7.536 1.00 0.00 C ATOM 182 C ASP A 15 -10.052 -0.334 6.145 1.00 0.00 C ATOM 183 O ASP A 15 -10.197 -1.501 5.779 1.00 0.00 O ATOM 184 CB ASP A 15 -11.905 0.691 7.478 1.00 0.00 C ATOM 185 CG ASP A 15 -12.718 0.359 8.712 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.535 -0.747 9.264 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.540 1.204 9.127 1.00 0.00 O ATOM 0 H ASP A 15 -9.959 2.020 8.218 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.489 -0.762 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.845 1.774 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.417 0.307 6.595 1.00 0.00 H new ATOM 192 N VAL A 16 -9.514 0.604 5.372 1.00 0.00 N ATOM 193 CA VAL A 16 -9.053 0.308 4.020 1.00 0.00 C ATOM 194 C VAL A 16 -7.886 -0.672 4.038 1.00 0.00 C ATOM 195 O VAL A 16 -7.858 -1.636 3.272 1.00 0.00 O ATOM 196 CB VAL A 16 -8.622 1.589 3.281 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.331 1.291 1.819 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.689 2.665 3.411 1.00 0.00 C ATOM 0 H VAL A 16 -9.387 1.575 5.658 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.893 -0.143 3.492 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.706 1.960 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.028 2.208 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.528 0.557 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.228 0.894 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.367 3.562 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.623 2.305 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.843 2.900 4.464 1.00 0.00 H new ATOM 208 N LYS A 17 -6.922 -0.420 4.917 1.00 0.00 N ATOM 209 CA LYS A 17 -5.750 -1.280 5.035 1.00 0.00 C ATOM 210 C LYS A 17 -6.112 -2.608 5.693 1.00 0.00 C ATOM 211 O LYS A 17 -5.491 -3.635 5.422 1.00 0.00 O ATOM 212 CB LYS A 17 -4.656 -0.578 5.842 1.00 0.00 C ATOM 213 CG LYS A 17 -4.111 0.671 5.168 1.00 0.00 C ATOM 214 CD LYS A 17 -4.172 1.877 6.092 1.00 0.00 C ATOM 215 CE LYS A 17 -2.946 2.763 5.933 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.936 3.878 6.920 1.00 0.00 N ATOM 0 H LYS A 17 -6.929 0.373 5.558 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.377 -1.484 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.054 -0.309 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.836 -1.276 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.079 0.499 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.683 0.876 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.071 2.456 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.248 1.541 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.045 2.162 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.922 3.172 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.680 4.764 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.880 3.974 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.240 3.675 7.666 1.00 0.00 H new ATOM 230 N LEU A 18 -7.119 -2.579 6.560 1.00 0.00 N ATOM 231 CA LEU A 18 -7.562 -3.781 7.257 1.00 0.00 C ATOM 232 C LEU A 18 -8.135 -4.800 6.277 1.00 0.00 C ATOM 233 O LEU A 18 -7.856 -5.995 6.374 1.00 0.00 O ATOM 234 CB LEU A 18 -8.611 -3.427 8.313 1.00 0.00 C ATOM 235 CG LEU A 18 -8.047 -3.072 9.690 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.117 -2.419 10.552 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.493 -4.312 10.374 1.00 0.00 C ATOM 0 H LEU A 18 -7.643 -1.737 6.797 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.696 -4.224 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.200 -2.585 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.293 -4.270 8.423 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.232 -2.360 9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.698 -2.173 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.468 -1.508 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.952 -3.108 10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.096 -4.041 11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.289 -5.046 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.696 -4.738 9.764 1.00 0.00 H new ATOM 249 N GLN A 19 -8.939 -4.320 5.334 1.00 0.00 N ATOM 250 CA GLN A 19 -9.553 -5.189 4.337 1.00 0.00 C ATOM 251 C GLN A 19 -8.497 -5.804 3.424 1.00 0.00 C ATOM 252 O GLN A 19 -8.668 -6.915 2.922 1.00 0.00 O ATOM 253 CB GLN A 19 -10.568 -4.406 3.504 1.00 0.00 C ATOM 254 CG GLN A 19 -11.693 -3.801 4.329 1.00 0.00 C ATOM 255 CD GLN A 19 -12.433 -2.703 3.590 1.00 0.00 C ATOM 256 OE1 GLN A 19 -12.932 -2.909 2.485 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.505 -1.525 4.200 1.00 0.00 N ATOM 0 H GLN A 19 -9.181 -3.334 5.239 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.066 -5.994 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.050 -3.609 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.996 -5.068 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.397 -4.585 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.283 -3.398 5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.076 -1.398 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.989 -0.747 3.751 1.00 0.00 H new ATOM 266 N LEU A 20 -7.407 -5.074 3.211 1.00 0.00 N ATOM 267 CA LEU A 20 -6.324 -5.548 2.357 1.00 0.00 C ATOM 268 C LEU A 20 -5.746 -6.857 2.883 1.00 0.00 C ATOM 269 O LEU A 20 -5.367 -7.736 2.108 1.00 0.00 O ATOM 270 CB LEU A 20 -5.222 -4.492 2.264 1.00 0.00 C ATOM 271 CG LEU A 20 -5.448 -3.410 1.206 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.589 -2.189 1.499 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.149 -3.954 -0.183 1.00 0.00 C ATOM 0 H LEU A 20 -7.250 -4.152 3.618 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.732 -5.728 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.118 -4.011 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.277 -4.993 2.053 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.495 -3.108 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.763 -1.430 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.851 -1.786 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.537 -2.474 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.315 -3.172 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.111 -4.283 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.807 -4.797 -0.393 1.00 0.00 H new ATOM 285 N TYR A 21 -5.680 -6.982 4.205 1.00 0.00 N ATOM 286 CA TYR A 21 -5.147 -8.185 4.833 1.00 0.00 C ATOM 287 C TYR A 21 -6.016 -9.397 4.517 1.00 0.00 C ATOM 288 O TYR A 21 -5.511 -10.508 4.349 1.00 0.00 O ATOM 289 CB TYR A 21 -5.051 -7.993 6.348 1.00 0.00 C ATOM 290 CG TYR A 21 -4.331 -6.727 6.754 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.129 -6.366 6.159 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.855 -5.892 7.734 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.468 -5.211 6.528 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.200 -4.733 8.107 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.007 -4.397 7.502 1.00 0.00 C ATOM 296 OH TYR A 21 -2.353 -3.245 7.871 1.00 0.00 O ATOM 0 H TYR A 21 -5.989 -6.265 4.861 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.150 -8.363 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.057 -7.980 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.535 -8.849 6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.704 -7.000 5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.788 -6.153 8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.533 -4.946 6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.621 -4.093 8.869 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.867 -2.786 8.568 1.00 0.00 H new ATOM 306 N LYS A 22 -7.324 -9.178 4.437 1.00 0.00 N ATOM 307 CA LYS A 22 -8.264 -10.254 4.143 1.00 0.00 C ATOM 308 C LYS A 22 -8.115 -10.728 2.699 1.00 0.00 C ATOM 309 O LYS A 22 -8.336 -11.899 2.394 1.00 0.00 O ATOM 310 CB LYS A 22 -9.700 -9.789 4.398 1.00 0.00 C ATOM 311 CG LYS A 22 -10.351 -10.459 5.596 1.00 0.00 C ATOM 312 CD LYS A 22 -11.596 -9.712 6.044 1.00 0.00 C ATOM 313 CE LYS A 22 -12.282 -10.415 7.204 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.550 -9.739 7.593 1.00 0.00 N ATOM 0 H LYS A 22 -7.758 -8.265 4.572 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.039 -11.091 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.702 -8.710 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.301 -9.987 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.613 -11.486 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.638 -10.507 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.326 -8.698 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.290 -9.626 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.492 -11.449 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.608 -10.443 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.986 -10.250 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.348 -8.760 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.203 -9.734 6.784 1.00 0.00 H new ATOM 328 N LEU A 23 -7.739 -9.808 1.816 1.00 0.00 N ATOM 329 CA LEU A 23 -7.562 -10.132 0.405 1.00 0.00 C ATOM 330 C LEU A 23 -6.268 -10.909 0.182 1.00 0.00 C ATOM 331 O LEU A 23 -6.266 -11.958 -0.462 1.00 0.00 O ATOM 332 CB LEU A 23 -7.554 -8.854 -0.435 1.00 0.00 C ATOM 333 CG LEU A 23 -8.865 -8.068 -0.429 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.605 -6.592 -0.688 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.827 -8.630 -1.466 1.00 0.00 C ATOM 0 H LEU A 23 -7.551 -8.834 2.052 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.398 -10.759 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.757 -8.204 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.309 -9.115 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.321 -8.168 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.550 -6.049 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.952 -6.196 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.126 -6.472 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.755 -8.059 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.376 -8.560 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.039 -9.674 -1.237 1.00 0.00 H new ATOM 347 N LEU A 24 -5.170 -10.388 0.720 1.00 0.00 N ATOM 348 CA LEU A 24 -3.869 -11.033 0.580 1.00 0.00 C ATOM 349 C LEU A 24 -3.857 -12.394 1.269 1.00 0.00 C ATOM 350 O LEU A 24 -3.110 -13.291 0.878 1.00 0.00 O ATOM 351 CB LEU A 24 -2.770 -10.143 1.164 1.00 0.00 C ATOM 352 CG LEU A 24 -2.746 -8.710 0.631 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.854 -7.833 1.497 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.274 -8.688 -0.815 1.00 0.00 C ATOM 0 H LEU A 24 -5.155 -9.521 1.257 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.680 -11.184 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.888 -10.110 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.804 -10.606 0.963 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.760 -8.311 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.849 -6.817 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.234 -7.824 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.839 -8.229 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.263 -7.660 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.269 -9.105 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.952 -9.282 -1.428 1.00 0.00 H new ATOM 366 N GLU A 25 -4.688 -12.543 2.297 1.00 0.00 N ATOM 367 CA GLU A 25 -4.771 -13.795 3.041 1.00 0.00 C ATOM 368 C GLU A 25 -5.102 -14.965 2.116 1.00 0.00 C ATOM 369 O GLU A 25 -4.779 -16.114 2.416 1.00 0.00 O ATOM 370 CB GLU A 25 -5.825 -13.687 4.145 1.00 0.00 C ATOM 371 CG GLU A 25 -5.332 -14.154 5.505 1.00 0.00 C ATOM 372 CD GLU A 25 -6.276 -13.775 6.629 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.103 -12.861 6.428 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.187 -14.393 7.712 1.00 0.00 O ATOM 0 H GLU A 25 -5.314 -11.811 2.634 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.797 -13.982 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.152 -12.650 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.697 -14.276 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.207 -15.237 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.350 -13.723 5.699 1.00 0.00 H new ATOM 381 N ILE A 26 -5.747 -14.666 0.993 1.00 0.00 N ATOM 382 CA ILE A 26 -6.119 -15.695 0.029 1.00 0.00 C ATOM 383 C ILE A 26 -4.880 -16.404 -0.518 1.00 0.00 C ATOM 384 O ILE A 26 -4.020 -15.777 -1.135 1.00 0.00 O ATOM 385 CB ILE A 26 -6.921 -15.101 -1.147 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.135 -14.328 -0.628 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.360 -16.201 -2.103 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.753 -13.410 -1.660 1.00 0.00 C ATOM 0 H ILE A 26 -6.023 -13.720 0.728 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.745 -16.415 0.556 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.276 -14.410 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.889 -15.038 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.837 -13.738 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.924 -15.764 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.482 -16.713 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.989 -16.916 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.608 -12.895 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.014 -12.677 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.083 -13.996 -2.518 1.00 0.00 H new ATOM 400 N PRO A 27 -4.770 -17.729 -0.301 1.00 0.00 N ATOM 401 CA PRO A 27 -3.626 -18.513 -0.779 1.00 0.00 C ATOM 402 C PRO A 27 -3.658 -18.723 -2.290 1.00 0.00 C ATOM 403 O PRO A 27 -3.765 -19.853 -2.768 1.00 0.00 O ATOM 404 CB PRO A 27 -3.783 -19.847 -0.048 1.00 0.00 C ATOM 405 CG PRO A 27 -5.245 -19.967 0.203 1.00 0.00 C ATOM 406 CD PRO A 27 -5.746 -18.565 0.425 1.00 0.00 C ATOM 0 HA PRO A 27 -2.677 -18.014 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.415 -20.676 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.218 -19.857 0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.749 -20.432 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.441 -20.593 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.755 -18.433 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.779 -18.314 1.485 1.00 0.00 H new ATOM 414 N ASP A 28 -3.565 -17.628 -3.037 1.00 0.00 N ATOM 415 CA ASP A 28 -3.583 -17.693 -4.494 1.00 0.00 C ATOM 416 C ASP A 28 -2.255 -17.213 -5.076 1.00 0.00 C ATOM 417 O ASP A 28 -1.488 -16.521 -4.406 1.00 0.00 O ATOM 418 CB ASP A 28 -4.733 -16.848 -5.048 1.00 0.00 C ATOM 419 CG ASP A 28 -5.953 -17.684 -5.384 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.235 -18.648 -4.642 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.626 -17.373 -6.389 1.00 0.00 O ATOM 0 H ASP A 28 -3.476 -16.685 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.732 -18.732 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.007 -16.087 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.397 -16.324 -5.943 1.00 0.00 H new ATOM 426 N PRO A 29 -1.965 -17.577 -6.337 1.00 0.00 N ATOM 427 CA PRO A 29 -0.723 -17.180 -7.008 1.00 0.00 C ATOM 428 C PRO A 29 -0.686 -15.689 -7.327 1.00 0.00 C ATOM 429 O PRO A 29 0.380 -15.074 -7.342 1.00 0.00 O ATOM 430 CB PRO A 29 -0.736 -18.003 -8.298 1.00 0.00 C ATOM 431 CG PRO A 29 -2.176 -18.276 -8.558 1.00 0.00 C ATOM 432 CD PRO A 29 -2.825 -18.402 -7.207 1.00 0.00 C ATOM 0 HA PRO A 29 0.152 -17.358 -6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.282 -17.454 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.172 -18.929 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.628 -17.469 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.301 -19.190 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.852 -18.037 -7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.859 -19.439 -6.872 1.00 0.00 H new ATOM 440 N ASP A 30 -1.858 -15.115 -7.581 1.00 0.00 N ATOM 441 CA ASP A 30 -1.959 -13.695 -7.899 1.00 0.00 C ATOM 442 C ASP A 30 -2.926 -12.992 -6.952 1.00 0.00 C ATOM 443 O ASP A 30 -3.580 -12.018 -7.327 1.00 0.00 O ATOM 444 CB ASP A 30 -2.419 -13.507 -9.347 1.00 0.00 C ATOM 445 CG ASP A 30 -1.434 -14.083 -10.345 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.932 -15.202 -10.107 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.164 -13.415 -11.365 1.00 0.00 O ATOM 0 H ASP A 30 -2.750 -15.610 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.971 -13.250 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.390 -13.984 -9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.555 -12.444 -9.547 1.00 0.00 H new ATOM 452 N LYS A 31 -3.011 -13.491 -5.724 1.00 0.00 N ATOM 453 CA LYS A 31 -3.898 -12.911 -4.722 1.00 0.00 C ATOM 454 C LYS A 31 -3.402 -13.219 -3.313 1.00 0.00 C ATOM 455 O LYS A 31 -4.195 -13.349 -2.380 1.00 0.00 O ATOM 456 CB LYS A 31 -5.322 -13.441 -4.903 1.00 0.00 C ATOM 457 CG LYS A 31 -6.192 -12.561 -5.786 1.00 0.00 C ATOM 458 CD LYS A 31 -7.558 -13.185 -6.019 1.00 0.00 C ATOM 459 CE LYS A 31 -8.202 -12.655 -7.289 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.682 -12.815 -7.271 1.00 0.00 N ATOM 0 H LYS A 31 -2.476 -14.296 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.901 -11.829 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.276 -14.441 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.792 -13.537 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.312 -11.583 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.696 -12.400 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.458 -14.268 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.205 -12.976 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.953 -11.601 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.791 -13.180 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.082 -12.441 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.921 -13.823 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.078 -12.293 -6.464 1.00 0.00 H new ATOM 474 N ASN A 32 -2.086 -13.333 -3.165 1.00 0.00 N ATOM 475 CA ASN A 32 -1.484 -13.625 -1.869 1.00 0.00 C ATOM 476 C ASN A 32 -0.602 -12.471 -1.405 1.00 0.00 C ATOM 477 O ASN A 32 -0.195 -11.628 -2.204 1.00 0.00 O ATOM 478 CB ASN A 32 -0.662 -14.913 -1.944 1.00 0.00 C ATOM 479 CG ASN A 32 -0.117 -15.330 -0.592 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.087 -15.525 -0.428 1.00 0.00 O ATOM 481 ND2 ASN A 32 -1.005 -15.472 0.386 1.00 0.00 N ATOM 0 H ASN A 32 -1.416 -13.228 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.288 -13.757 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.283 -15.714 -2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.166 -14.773 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.698 -15.753 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.994 -15.300 0.206 1.00 0.00 H new ATOM 488 N TRP A 33 -0.308 -12.440 -0.109 1.00 0.00 N ATOM 489 CA TRP A 33 0.527 -11.390 0.461 1.00 0.00 C ATOM 490 C TRP A 33 1.965 -11.512 -0.029 1.00 0.00 C ATOM 491 O TRP A 33 2.637 -10.508 -0.269 1.00 0.00 O ATOM 492 CB TRP A 33 0.489 -11.452 1.989 1.00 0.00 C ATOM 493 CG TRP A 33 0.891 -12.786 2.539 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.072 -13.850 2.790 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.211 -13.200 2.908 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.802 -14.899 3.292 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.118 -14.526 3.373 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.464 -12.580 2.888 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.230 -15.239 3.816 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.565 -13.289 3.328 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.442 -14.607 3.786 1.00 0.00 C ATOM 0 H TRP A 33 -0.636 -13.131 0.566 1.00 0.00 H new ATOM 0 HA TRP A 33 0.132 -10.428 0.134 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.151 -10.686 2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.519 -11.215 2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.994 -13.864 2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.426 -15.808 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.569 -11.565 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.138 -16.255 4.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.537 -12.819 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.322 -15.135 4.122 1.00 0.00 H new ATOM 512 N ALA A 34 2.433 -12.747 -0.176 1.00 0.00 N ATOM 513 CA ALA A 34 3.792 -13.001 -0.636 1.00 0.00 C ATOM 514 C ALA A 34 4.027 -12.395 -2.017 1.00 0.00 C ATOM 515 O ALA A 34 5.109 -11.885 -2.306 1.00 0.00 O ATOM 516 CB ALA A 34 4.070 -14.497 -0.660 1.00 0.00 C ATOM 0 H ALA A 34 1.890 -13.588 0.017 1.00 0.00 H new ATOM 0 HA ALA A 34 4.480 -12.526 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.089 -14.672 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.952 -14.905 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.368 -14.987 -1.335 1.00 0.00 H new ATOM 522 N THR A 35 3.005 -12.456 -2.865 1.00 0.00 N ATOM 523 CA THR A 35 3.099 -11.913 -4.214 1.00 0.00 C ATOM 524 C THR A 35 3.145 -10.390 -4.187 1.00 0.00 C ATOM 525 O THR A 35 3.838 -9.764 -4.989 1.00 0.00 O ATOM 526 CB THR A 35 1.914 -12.385 -5.059 1.00 0.00 C ATOM 527 OG1 THR A 35 1.492 -13.674 -4.654 1.00 0.00 O ATOM 528 CG2 THR A 35 2.221 -12.446 -6.540 1.00 0.00 C ATOM 0 H THR A 35 2.103 -12.876 -2.641 1.00 0.00 H new ATOM 0 HA THR A 35 4.024 -12.277 -4.661 1.00 0.00 H new ATOM 0 HB THR A 35 1.131 -11.644 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.123 -14.154 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.339 -12.788 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.502 -11.454 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.044 -13.140 -6.713 1.00 0.00 H new ATOM 536 N LEU A 36 2.402 -9.797 -3.257 1.00 0.00 N ATOM 537 CA LEU A 36 2.358 -8.345 -3.125 1.00 0.00 C ATOM 538 C LEU A 36 3.670 -7.810 -2.560 1.00 0.00 C ATOM 539 O LEU A 36 4.093 -6.702 -2.889 1.00 0.00 O ATOM 540 CB LEU A 36 1.194 -7.931 -2.222 1.00 0.00 C ATOM 541 CG LEU A 36 0.991 -6.421 -2.079 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.211 -5.873 -3.265 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.278 -6.101 -0.775 1.00 0.00 C ATOM 0 H LEU A 36 1.823 -10.299 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 36 2.210 -7.918 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.276 -8.370 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.354 -8.356 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 36 1.970 -5.941 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.076 -4.798 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.761 -6.070 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.764 -6.358 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.142 -5.023 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.695 -6.592 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.875 -6.459 0.064 1.00 0.00 H new ATOM 555 N ALA A 37 4.310 -8.603 -1.707 1.00 0.00 N ATOM 556 CA ALA A 37 5.574 -8.208 -1.096 1.00 0.00 C ATOM 557 C ALA A 37 6.640 -7.955 -2.157 1.00 0.00 C ATOM 558 O ALA A 37 7.442 -7.030 -2.037 1.00 0.00 O ATOM 559 CB ALA A 37 6.042 -9.273 -0.117 1.00 0.00 C ATOM 0 H ALA A 37 3.974 -9.523 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 37 5.412 -7.277 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.986 -8.965 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.294 -9.402 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.182 -10.216 -0.645 1.00 0.00 H new ATOM 565 N GLN A 38 6.642 -8.784 -3.196 1.00 0.00 N ATOM 566 CA GLN A 38 7.610 -8.651 -4.278 1.00 0.00 C ATOM 567 C GLN A 38 7.271 -7.458 -5.166 1.00 0.00 C ATOM 568 O GLN A 38 8.160 -6.805 -5.711 1.00 0.00 O ATOM 569 CB GLN A 38 7.650 -9.930 -5.115 1.00 0.00 C ATOM 570 CG GLN A 38 8.073 -11.160 -4.326 1.00 0.00 C ATOM 571 CD GLN A 38 9.447 -11.665 -4.723 1.00 0.00 C ATOM 572 OE1 GLN A 38 9.883 -11.483 -5.859 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.136 -12.303 -3.784 1.00 0.00 N ATOM 0 H GLN A 38 5.984 -9.555 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 38 8.592 -8.485 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.663 -10.105 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.339 -9.788 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.071 -10.923 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.341 -11.953 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.735 -12.431 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.067 -12.665 -3.992 1.00 0.00 H new ATOM 582 N LYS A 39 5.979 -7.180 -5.307 1.00 0.00 N ATOM 583 CA LYS A 39 5.523 -6.065 -6.128 1.00 0.00 C ATOM 584 C LYS A 39 5.910 -4.732 -5.497 1.00 0.00 C ATOM 585 O LYS A 39 6.469 -3.859 -6.160 1.00 0.00 O ATOM 586 CB LYS A 39 4.006 -6.134 -6.321 1.00 0.00 C ATOM 587 CG LYS A 39 3.588 -6.729 -7.656 1.00 0.00 C ATOM 588 CD LYS A 39 4.063 -8.166 -7.799 1.00 0.00 C ATOM 589 CE LYS A 39 4.089 -8.603 -9.255 1.00 0.00 C ATOM 590 NZ LYS A 39 5.263 -9.468 -9.555 1.00 0.00 N ATOM 0 H LYS A 39 5.230 -7.711 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 39 6.008 -6.139 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.573 -6.728 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.591 -5.130 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.502 -6.693 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.997 -6.127 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.060 -8.265 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.406 -8.825 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.171 -9.143 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.113 -7.723 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.244 -9.744 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.140 -8.945 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.227 -10.320 -8.960 1.00 0.00 H new ATOM 604 N LEU A 40 5.606 -4.582 -4.212 1.00 0.00 N ATOM 605 CA LEU A 40 5.923 -3.354 -3.490 1.00 0.00 C ATOM 606 C LEU A 40 7.431 -3.172 -3.363 1.00 0.00 C ATOM 607 O LEU A 40 8.010 -2.266 -3.963 1.00 0.00 O ATOM 608 CB LEU A 40 5.280 -3.374 -2.102 1.00 0.00 C ATOM 609 CG LEU A 40 3.763 -3.568 -2.093 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.254 -3.739 -0.670 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.072 -2.394 -2.771 1.00 0.00 C ATOM 0 H LEU A 40 5.141 -5.294 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 40 5.521 -2.514 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.736 -4.174 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.514 -2.437 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 40 3.529 -4.474 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.173 -3.876 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.724 -4.612 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.500 -2.852 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.993 -2.549 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.314 -1.473 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.413 -2.318 -3.804 1.00 0.00 H new ATOM 623 N GLY A 41 8.063 -4.038 -2.577 1.00 0.00 N ATOM 624 CA GLY A 41 9.498 -3.955 -2.386 1.00 0.00 C ATOM 625 C GLY A 41 9.947 -4.571 -1.076 1.00 0.00 C ATOM 626 O GLY A 41 10.681 -3.948 -0.308 1.00 0.00 O ATOM 0 H GLY A 41 7.606 -4.796 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.001 -4.459 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.805 -2.910 -2.416 1.00 0.00 H new ATOM 630 N LEU A 42 9.506 -5.798 -0.819 1.00 0.00 N ATOM 631 CA LEU A 42 9.865 -6.498 0.408 1.00 0.00 C ATOM 632 C LEU A 42 9.876 -8.008 0.191 1.00 0.00 C ATOM 633 O LEU A 42 9.580 -8.779 1.103 1.00 0.00 O ATOM 634 CB LEU A 42 8.891 -6.140 1.531 1.00 0.00 C ATOM 635 CG LEU A 42 8.918 -4.675 1.969 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.746 -4.371 2.890 1.00 0.00 C ATOM 637 CD2 LEU A 42 10.236 -4.349 2.654 1.00 0.00 C ATOM 0 H LEU A 42 8.899 -6.328 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 42 10.868 -6.183 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.880 -6.388 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.111 -6.766 2.396 1.00 0.00 H new ATOM 0 HG LEU A 42 8.827 -4.048 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.782 -3.324 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.811 -4.566 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.804 -5.005 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.238 -3.303 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.356 -4.983 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.059 -4.527 1.962 1.00 0.00 H new ATOM 649 N GLY A 43 10.217 -8.422 -1.025 1.00 0.00 N ATOM 650 CA GLY A 43 10.260 -9.838 -1.342 1.00 0.00 C ATOM 651 C GLY A 43 11.349 -10.570 -0.584 1.00 0.00 C ATOM 652 O GLY A 43 11.234 -11.766 -0.319 1.00 0.00 O ATOM 0 H GLY A 43 10.464 -7.802 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.295 -10.288 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.421 -9.962 -2.413 1.00 0.00 H new ATOM 656 N ILE A 44 12.410 -9.850 -0.233 1.00 0.00 N ATOM 657 CA ILE A 44 13.524 -10.439 0.499 1.00 0.00 C ATOM 658 C ILE A 44 13.159 -10.676 1.961 1.00 0.00 C ATOM 659 O ILE A 44 13.666 -11.600 2.597 1.00 0.00 O ATOM 660 CB ILE A 44 14.779 -9.544 0.428 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.963 -10.226 1.115 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.502 -8.187 1.059 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.297 -9.917 0.470 1.00 0.00 C ATOM 0 H ILE A 44 12.521 -8.858 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 44 13.744 -11.396 0.026 1.00 0.00 H new ATOM 0 HB ILE A 44 15.034 -9.389 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.994 -9.917 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.806 -11.305 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.398 -7.569 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.687 -7.697 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.222 -8.322 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.090 -10.434 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.286 -10.252 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.477 -8.842 0.503 1.00 0.00 H new ATOM 675 N LEU A 45 12.275 -9.835 2.491 1.00 0.00 N ATOM 676 CA LEU A 45 11.843 -9.954 3.878 1.00 0.00 C ATOM 677 C LEU A 45 10.520 -10.709 3.979 1.00 0.00 C ATOM 678 O LEU A 45 9.775 -10.544 4.943 1.00 0.00 O ATOM 679 CB LEU A 45 11.699 -8.568 4.509 1.00 0.00 C ATOM 680 CG LEU A 45 13.016 -7.847 4.799 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.766 -6.377 5.095 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.741 -8.510 5.960 1.00 0.00 C ATOM 0 H LEU A 45 11.845 -9.064 1.980 1.00 0.00 H new ATOM 0 HA LEU A 45 12.603 -10.518 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.100 -7.944 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.144 -8.666 5.442 1.00 0.00 H new ATOM 0 HG LEU A 45 13.648 -7.916 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.715 -5.880 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.289 -5.909 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.115 -6.287 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.676 -7.984 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.113 -8.472 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.954 -9.549 5.710 1.00 0.00 H new ATOM 694 N ASN A 46 10.234 -11.537 2.978 1.00 0.00 N ATOM 695 CA ASN A 46 9.000 -12.314 2.960 1.00 0.00 C ATOM 696 C ASN A 46 9.031 -13.408 4.022 1.00 0.00 C ATOM 697 O ASN A 46 7.995 -13.785 4.571 1.00 0.00 O ATOM 698 CB ASN A 46 8.780 -12.929 1.575 1.00 0.00 C ATOM 699 CG ASN A 46 7.528 -12.402 0.901 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.609 -11.921 1.563 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.488 -12.490 -0.424 1.00 0.00 N ATOM 0 H ASN A 46 10.839 -11.686 2.171 1.00 0.00 H new ATOM 0 HA ASN A 46 8.172 -11.642 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.644 -12.718 0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.710 -14.013 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.672 -12.151 -0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.274 -12.896 -0.932 1.00 0.00 H new ATOM 708 N ASN A 47 10.226 -13.916 4.307 1.00 0.00 N ATOM 709 CA ASN A 47 10.391 -14.969 5.303 1.00 0.00 C ATOM 710 C ASN A 47 10.152 -14.428 6.709 1.00 0.00 C ATOM 711 O ASN A 47 9.686 -15.150 7.591 1.00 0.00 O ATOM 712 CB ASN A 47 11.793 -15.574 5.208 1.00 0.00 C ATOM 713 CG ASN A 47 11.930 -16.533 4.042 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.825 -16.137 2.881 1.00 0.00 O ATOM 715 ND2 ASN A 47 12.167 -17.804 4.346 1.00 0.00 N ATOM 0 H ASN A 47 11.094 -13.616 3.863 1.00 0.00 H new ATOM 0 HA ASN A 47 9.653 -15.746 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.525 -14.773 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.023 -16.098 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.269 -18.495 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.247 -18.089 5.322 1.00 0.00 H new ATOM 722 N ALA A 48 10.475 -13.156 6.912 1.00 0.00 N ATOM 723 CA ALA A 48 10.295 -12.519 8.211 1.00 0.00 C ATOM 724 C ALA A 48 8.816 -12.348 8.539 1.00 0.00 C ATOM 725 O ALA A 48 8.393 -12.562 9.674 1.00 0.00 O ATOM 726 CB ALA A 48 11.003 -11.172 8.241 1.00 0.00 C ATOM 0 H ALA A 48 10.863 -12.545 6.193 1.00 0.00 H new ATOM 0 HA ALA A 48 10.736 -13.166 8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.860 -10.708 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.068 -11.317 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.588 -10.526 7.467 1.00 0.00 H new ATOM 732 N PHE A 49 8.034 -11.960 7.536 1.00 0.00 N ATOM 733 CA PHE A 49 6.601 -11.761 7.717 1.00 0.00 C ATOM 734 C PHE A 49 5.875 -13.097 7.828 1.00 0.00 C ATOM 735 O PHE A 49 4.865 -13.211 8.522 1.00 0.00 O ATOM 736 CB PHE A 49 6.025 -10.950 6.555 1.00 0.00 C ATOM 737 CG PHE A 49 6.857 -9.755 6.186 1.00 0.00 C ATOM 738 CD1 PHE A 49 7.260 -8.849 7.154 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.235 -9.537 4.871 1.00 0.00 C ATOM 740 CE1 PHE A 49 8.026 -7.748 6.817 1.00 0.00 C ATOM 741 CE2 PHE A 49 8.001 -8.437 4.528 1.00 0.00 C ATOM 742 CZ PHE A 49 8.396 -7.542 5.502 1.00 0.00 C ATOM 0 H PHE A 49 8.369 -11.777 6.590 1.00 0.00 H new ATOM 0 HA PHE A 49 6.452 -11.209 8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.928 -11.598 5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.021 -10.616 6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.973 -9.004 8.183 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.928 -10.234 4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.335 -7.050 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.290 -8.279 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.993 -6.682 5.236 1.00 0.00 H new ATOM 752 N ARG A 50 6.397 -14.107 7.139 1.00 0.00 N ATOM 753 CA ARG A 50 5.798 -15.437 7.158 1.00 0.00 C ATOM 754 C ARG A 50 5.770 -16.000 8.575 1.00 0.00 C ATOM 755 O ARG A 50 4.842 -16.718 8.950 1.00 0.00 O ATOM 756 CB ARG A 50 6.572 -16.380 6.234 1.00 0.00 C ATOM 757 CG ARG A 50 5.676 -17.266 5.382 1.00 0.00 C ATOM 758 CD ARG A 50 5.722 -18.714 5.844 1.00 0.00 C ATOM 759 NE ARG A 50 4.824 -19.565 5.065 1.00 0.00 N ATOM 760 CZ ARG A 50 4.924 -20.891 5.008 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.879 -21.523 5.678 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.066 -21.589 4.276 1.00 0.00 N ATOM 0 H ARG A 50 7.234 -14.030 6.561 1.00 0.00 H new ATOM 0 HA ARG A 50 4.772 -15.353 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.213 -15.789 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.226 -17.011 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.650 -16.900 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.988 -17.206 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.742 -19.090 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.449 -18.767 6.898 1.00 0.00 H new ATOM 0 HE ARG A 50 4.077 -19.116 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.543 -20.992 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.949 -22.539 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.330 -21.110 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.142 -22.605 4.232 1.00 0.00 H new ATOM 776 N LEU A 51 6.791 -15.669 9.358 1.00 0.00 N ATOM 777 CA LEU A 51 6.883 -16.143 10.736 1.00 0.00 C ATOM 778 C LEU A 51 5.783 -15.530 11.595 1.00 0.00 C ATOM 779 O LEU A 51 5.197 -16.204 12.443 1.00 0.00 O ATOM 780 CB LEU A 51 8.253 -15.802 11.323 1.00 0.00 C ATOM 781 CG LEU A 51 9.389 -16.738 10.907 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.691 -16.330 11.580 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.041 -18.179 11.245 1.00 0.00 C ATOM 0 H LEU A 51 7.566 -15.075 9.063 1.00 0.00 H new ATOM 0 HA LEU A 51 6.756 -17.226 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.514 -14.786 11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.177 -15.809 12.410 1.00 0.00 H new ATOM 0 HG LEU A 51 9.522 -16.660 9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.488 -17.007 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.948 -15.312 11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.572 -16.378 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.860 -18.832 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.881 -18.272 12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.133 -18.468 10.716 1.00 0.00 H new ATOM 795 N SER A 52 5.507 -14.250 11.371 1.00 0.00 N ATOM 796 CA SER A 52 4.477 -13.545 12.125 1.00 0.00 C ATOM 797 C SER A 52 3.113 -14.202 11.932 1.00 0.00 C ATOM 798 O SER A 52 2.903 -14.948 10.977 1.00 0.00 O ATOM 799 CB SER A 52 4.415 -12.079 11.694 1.00 0.00 C ATOM 800 OG SER A 52 5.357 -11.296 12.406 1.00 0.00 O ATOM 0 H SER A 52 5.983 -13.679 10.673 1.00 0.00 H new ATOM 0 HA SER A 52 4.737 -13.596 13.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.609 -12.003 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.411 -11.689 11.864 1.00 0.00 H new ATOM 0 HG SER A 52 5.298 -10.364 12.110 1.00 0.00 H new ATOM 806 N PRO A 53 2.161 -13.928 12.841 1.00 0.00 N ATOM 807 CA PRO A 53 0.810 -14.494 12.764 1.00 0.00 C ATOM 808 C PRO A 53 0.038 -13.984 11.552 1.00 0.00 C ATOM 809 O PRO A 53 -0.848 -14.666 11.037 1.00 0.00 O ATOM 810 CB PRO A 53 0.144 -14.017 14.060 1.00 0.00 C ATOM 811 CG PRO A 53 0.912 -12.805 14.461 1.00 0.00 C ATOM 812 CD PRO A 53 2.325 -13.044 14.010 1.00 0.00 C ATOM 0 HA PRO A 53 0.831 -15.578 12.656 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.909 -13.783 13.901 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.186 -14.785 14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.500 -11.910 13.995 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.867 -12.653 15.539 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.826 -12.113 13.744 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.922 -13.515 14.790 1.00 0.00 H new ATOM 820 N ALA A 54 0.382 -12.783 11.099 1.00 0.00 N ATOM 821 CA ALA A 54 -0.278 -12.182 9.946 1.00 0.00 C ATOM 822 C ALA A 54 0.730 -11.481 9.039 1.00 0.00 C ATOM 823 O ALA A 54 0.956 -10.277 9.164 1.00 0.00 O ATOM 824 CB ALA A 54 -1.350 -11.204 10.402 1.00 0.00 C ATOM 0 H ALA A 54 1.114 -12.206 11.513 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.750 -12.980 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.834 -10.763 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.092 -11.731 11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.893 -10.416 11.001 1.00 0.00 H new ATOM 830 N PRO A 55 1.350 -12.228 8.111 1.00 0.00 N ATOM 831 CA PRO A 55 2.339 -11.670 7.180 1.00 0.00 C ATOM 832 C PRO A 55 1.826 -10.424 6.467 1.00 0.00 C ATOM 833 O PRO A 55 2.537 -9.426 6.350 1.00 0.00 O ATOM 834 CB PRO A 55 2.561 -12.806 6.178 1.00 0.00 C ATOM 835 CG PRO A 55 2.237 -14.046 6.936 1.00 0.00 C ATOM 836 CD PRO A 55 1.139 -13.671 7.893 1.00 0.00 C ATOM 0 HA PRO A 55 3.247 -11.350 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.918 -12.696 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.589 -12.820 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.914 -14.841 6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.112 -14.416 7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.154 -13.874 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.210 -14.232 8.825 1.00 0.00 H new ATOM 844 N SER A 56 0.586 -10.486 5.992 1.00 0.00 N ATOM 845 CA SER A 56 -0.022 -9.362 5.291 1.00 0.00 C ATOM 846 C SER A 56 -0.107 -8.138 6.198 1.00 0.00 C ATOM 847 O SER A 56 -0.029 -7.001 5.731 1.00 0.00 O ATOM 848 CB SER A 56 -1.418 -9.740 4.792 1.00 0.00 C ATOM 849 OG SER A 56 -1.957 -10.812 5.547 1.00 0.00 O ATOM 0 H SER A 56 -0.017 -11.304 6.080 1.00 0.00 H new ATOM 0 HA SER A 56 0.607 -9.115 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.078 -8.875 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.368 -10.021 3.740 1.00 0.00 H new ATOM 0 HG SER A 56 -2.850 -11.033 5.210 1.00 0.00 H new ATOM 855 N LYS A 57 -0.266 -8.378 7.495 1.00 0.00 N ATOM 856 CA LYS A 57 -0.362 -7.295 8.467 1.00 0.00 C ATOM 857 C LYS A 57 1.015 -6.712 8.768 1.00 0.00 C ATOM 858 O LYS A 57 1.148 -5.522 9.056 1.00 0.00 O ATOM 859 CB LYS A 57 -1.010 -7.799 9.759 1.00 0.00 C ATOM 860 CG LYS A 57 -2.084 -6.871 10.303 1.00 0.00 C ATOM 861 CD LYS A 57 -2.990 -7.587 11.292 1.00 0.00 C ATOM 862 CE LYS A 57 -2.617 -7.262 12.730 1.00 0.00 C ATOM 863 NZ LYS A 57 -2.464 -8.492 13.556 1.00 0.00 N ATOM 0 H LYS A 57 -0.331 -9.313 7.898 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.984 -6.508 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.448 -8.781 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.237 -7.930 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.615 -6.016 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.680 -6.480 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.026 -7.300 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.924 -8.663 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.685 -6.697 12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.384 -6.623 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.210 -8.227 14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.361 -9.019 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.715 -9.090 13.153 1.00 0.00 H new ATOM 877 N THR A 58 2.038 -7.558 8.698 1.00 0.00 N ATOM 878 CA THR A 58 3.406 -7.128 8.962 1.00 0.00 C ATOM 879 C THR A 58 3.980 -6.370 7.770 1.00 0.00 C ATOM 880 O THR A 58 4.806 -5.472 7.931 1.00 0.00 O ATOM 881 CB THR A 58 4.287 -8.335 9.287 1.00 0.00 C ATOM 882 OG1 THR A 58 3.516 -9.379 9.857 1.00 0.00 O ATOM 883 CG2 THR A 58 5.410 -8.016 10.249 1.00 0.00 C ATOM 0 H THR A 58 1.945 -8.546 8.461 1.00 0.00 H new ATOM 0 HA THR A 58 3.390 -6.456 9.820 1.00 0.00 H new ATOM 0 HB THR A 58 4.722 -8.639 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.816 -10.240 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.996 -8.916 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.052 -7.249 9.817 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.992 -7.653 11.188 1.00 0.00 H new ATOM 891 N LEU A 59 3.537 -6.739 6.572 1.00 0.00 N ATOM 892 CA LEU A 59 4.007 -6.095 5.352 1.00 0.00 C ATOM 893 C LEU A 59 3.633 -4.616 5.339 1.00 0.00 C ATOM 894 O LEU A 59 4.490 -3.749 5.171 1.00 0.00 O ATOM 895 CB LEU A 59 3.421 -6.791 4.123 1.00 0.00 C ATOM 896 CG LEU A 59 4.177 -6.546 2.817 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.543 -7.212 2.858 1.00 0.00 C ATOM 898 CD2 LEU A 59 3.371 -7.052 1.631 1.00 0.00 C ATOM 0 H LEU A 59 2.853 -7.481 6.421 1.00 0.00 H new ATOM 0 HA LEU A 59 5.093 -6.178 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.392 -7.864 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.390 -6.461 3.995 1.00 0.00 H new ATOM 0 HG LEU A 59 4.322 -5.472 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.066 -7.027 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.123 -6.802 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.420 -8.286 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.925 -6.869 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.194 -8.122 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.416 -6.528 1.590 1.00 0.00 H new ATOM 910 N MET A 60 2.346 -4.335 5.519 1.00 0.00 N ATOM 911 CA MET A 60 1.857 -2.962 5.528 1.00 0.00 C ATOM 912 C MET A 60 2.525 -2.151 6.633 1.00 0.00 C ATOM 913 O MET A 60 2.697 -0.938 6.510 1.00 0.00 O ATOM 914 CB MET A 60 0.338 -2.940 5.709 1.00 0.00 C ATOM 915 CG MET A 60 -0.428 -3.371 4.469 1.00 0.00 C ATOM 916 SD MET A 60 -0.099 -2.313 3.047 1.00 0.00 S ATOM 917 CE MET A 60 -0.369 -3.462 1.700 1.00 0.00 C ATOM 0 H MET A 60 1.623 -5.041 5.661 1.00 0.00 H new ATOM 0 HA MET A 60 2.108 -2.509 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.070 -3.595 6.538 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.028 -1.932 5.986 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.162 -4.399 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.496 -3.361 4.685 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.181 -3.127 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.020 -4.453 1.991 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.433 -3.506 1.467 1.00 0.00 H new ATOM 927 N ASP A 61 2.900 -2.828 7.714 1.00 0.00 N ATOM 928 CA ASP A 61 3.549 -2.169 8.840 1.00 0.00 C ATOM 929 C ASP A 61 4.980 -1.778 8.487 1.00 0.00 C ATOM 930 O ASP A 61 5.486 -0.752 8.945 1.00 0.00 O ATOM 931 CB ASP A 61 3.547 -3.086 10.066 1.00 0.00 C ATOM 932 CG ASP A 61 2.410 -2.773 11.019 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.508 -1.765 11.750 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.421 -3.537 11.034 1.00 0.00 O ATOM 0 H ASP A 61 2.765 -3.832 7.833 1.00 0.00 H new ATOM 0 HA ASP A 61 2.989 -1.263 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.470 -4.123 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.496 -2.987 10.592 1.00 0.00 H new ATOM 939 N ASN A 62 5.627 -2.602 7.670 1.00 0.00 N ATOM 940 CA ASN A 62 7.001 -2.343 7.253 1.00 0.00 C ATOM 941 C ASN A 62 7.036 -1.451 6.017 1.00 0.00 C ATOM 942 O ASN A 62 7.964 -0.664 5.834 1.00 0.00 O ATOM 943 CB ASN A 62 7.724 -3.661 6.966 1.00 0.00 C ATOM 944 CG ASN A 62 8.262 -4.313 8.224 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.471 -4.343 8.453 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.364 -4.839 9.049 1.00 0.00 N ATOM 0 H ASN A 62 5.223 -3.455 7.283 1.00 0.00 H new ATOM 0 HA ASN A 62 7.510 -1.825 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.038 -4.347 6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.547 -3.477 6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.667 -5.290 9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.371 -4.792 8.820 1.00 0.00 H new ATOM 953 N TYR A 63 6.016 -1.577 5.174 1.00 0.00 N ATOM 954 CA TYR A 63 5.929 -0.782 3.954 1.00 0.00 C ATOM 955 C TYR A 63 5.608 0.674 4.277 1.00 0.00 C ATOM 956 O TYR A 63 6.143 1.591 3.653 1.00 0.00 O ATOM 957 CB TYR A 63 4.863 -1.357 3.020 1.00 0.00 C ATOM 958 CG TYR A 63 4.846 -0.716 1.651 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.999 -0.647 0.879 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.675 -0.180 1.130 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.987 -0.062 -0.372 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.654 0.407 -0.122 1.00 0.00 C ATOM 963 CZ TYR A 63 4.811 0.462 -0.868 1.00 0.00 C ATOM 964 OH TYR A 63 4.794 1.045 -2.115 1.00 0.00 O ATOM 0 H TYR A 63 5.238 -2.222 5.313 1.00 0.00 H new ATOM 0 HA TYR A 63 6.897 -0.820 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.030 -2.428 2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.883 -1.234 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.921 -1.058 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.766 -0.222 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.893 -0.015 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.736 0.820 -0.513 1.00 0.00 H new ATOM 0 HH TYR A 63 5.469 0.620 -2.684 1.00 0.00 H new ATOM 974 N GLU A 64 4.732 0.880 5.254 1.00 0.00 N ATOM 975 CA GLU A 64 4.339 2.225 5.657 1.00 0.00 C ATOM 976 C GLU A 64 5.532 2.997 6.213 1.00 0.00 C ATOM 977 O GLU A 64 5.673 4.196 5.975 1.00 0.00 O ATOM 978 CB GLU A 64 3.226 2.161 6.705 1.00 0.00 C ATOM 979 CG GLU A 64 2.604 3.514 7.015 1.00 0.00 C ATOM 980 CD GLU A 64 1.230 3.392 7.643 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.036 2.482 8.477 1.00 0.00 O ATOM 982 OE2 GLU A 64 0.347 4.208 7.303 1.00 0.00 O ATOM 0 H GLU A 64 4.281 0.133 5.782 1.00 0.00 H new ATOM 0 HA GLU A 64 3.969 2.748 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.447 1.484 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.628 1.736 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.260 4.066 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.529 4.095 6.096 1.00 0.00 H new ATOM 989 N VAL A 65 6.388 2.301 6.953 1.00 0.00 N ATOM 990 CA VAL A 65 7.568 2.921 7.542 1.00 0.00 C ATOM 991 C VAL A 65 8.662 3.121 6.498 1.00 0.00 C ATOM 992 O VAL A 65 9.238 4.203 6.387 1.00 0.00 O ATOM 993 CB VAL A 65 8.130 2.076 8.700 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.234 2.828 9.426 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.018 1.688 9.664 1.00 0.00 C ATOM 0 H VAL A 65 6.286 1.307 7.159 1.00 0.00 H new ATOM 0 HA VAL A 65 7.255 3.891 7.929 1.00 0.00 H new ATOM 0 HB VAL A 65 8.558 1.163 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.618 2.214 10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.041 3.052 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.835 3.759 9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.433 1.091 10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.560 2.589 10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.264 1.106 9.134 1.00 0.00 H new ATOM 1005 N SER A 66 8.943 2.070 5.733 1.00 0.00 N ATOM 1006 CA SER A 66 9.967 2.132 4.698 1.00 0.00 C ATOM 1007 C SER A 66 9.633 3.203 3.663 1.00 0.00 C ATOM 1008 O SER A 66 10.527 3.809 3.073 1.00 0.00 O ATOM 1009 CB SER A 66 10.110 0.772 4.011 1.00 0.00 C ATOM 1010 OG SER A 66 10.882 -0.119 4.799 1.00 0.00 O ATOM 0 H SER A 66 8.476 1.167 5.811 1.00 0.00 H new ATOM 0 HA SER A 66 10.912 2.394 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.123 0.345 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.580 0.901 3.036 1.00 0.00 H new ATOM 0 HG SER A 66 10.289 -0.637 5.383 1.00 0.00 H new ATOM 1016 N GLY A 67 8.341 3.430 3.449 1.00 0.00 N ATOM 1017 CA GLY A 67 7.913 4.428 2.487 1.00 0.00 C ATOM 1018 C GLY A 67 6.810 3.922 1.578 1.00 0.00 C ATOM 1019 O GLY A 67 7.007 3.777 0.372 1.00 0.00 O ATOM 0 H GLY A 67 7.583 2.941 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.564 5.314 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.766 4.734 1.882 1.00 0.00 H new ATOM 1023 N GLY A 68 5.646 3.651 2.159 1.00 0.00 N ATOM 1024 CA GLY A 68 4.525 3.160 1.380 1.00 0.00 C ATOM 1025 C GLY A 68 3.814 4.267 0.627 1.00 0.00 C ATOM 1026 O GLY A 68 3.391 5.259 1.220 1.00 0.00 O ATOM 0 H GLY A 68 5.459 3.763 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.879 2.412 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.817 2.662 2.042 1.00 0.00 H new ATOM 1030 N THR A 69 3.681 4.097 -0.685 1.00 0.00 N ATOM 1031 CA THR A 69 3.017 5.089 -1.522 1.00 0.00 C ATOM 1032 C THR A 69 1.731 4.524 -2.118 1.00 0.00 C ATOM 1033 O THR A 69 1.714 3.408 -2.637 1.00 0.00 O ATOM 1034 CB THR A 69 3.951 5.550 -2.641 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.627 4.447 -3.218 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.999 6.538 -2.176 1.00 0.00 C ATOM 0 H THR A 69 4.025 3.281 -1.191 1.00 0.00 H new ATOM 0 HA THR A 69 2.762 5.944 -0.896 1.00 0.00 H new ATOM 0 HB THR A 69 3.307 6.043 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.503 4.737 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.628 6.824 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.510 7.424 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.615 6.078 -1.403 1.00 0.00 H new ATOM 1044 N VAL A 70 0.656 5.302 -2.038 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.634 4.879 -2.569 1.00 0.00 C ATOM 1046 C VAL A 70 -0.545 4.589 -4.064 1.00 0.00 C ATOM 1047 O VAL A 70 -1.260 3.731 -4.583 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.718 5.946 -2.330 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.090 5.409 -2.706 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.697 6.411 -0.881 1.00 0.00 C ATOM 0 H VAL A 70 0.653 6.228 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.909 3.967 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.504 6.804 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.842 6.178 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.095 5.130 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.317 4.533 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.469 7.165 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.885 5.562 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.722 6.839 -0.650 1.00 0.00 H new ATOM 1060 N ARG A 71 0.337 5.309 -4.750 1.00 0.00 N ATOM 1061 CA ARG A 71 0.519 5.128 -6.185 1.00 0.00 C ATOM 1062 C ARG A 71 1.105 3.753 -6.490 1.00 0.00 C ATOM 1063 O ARG A 71 0.797 3.151 -7.518 1.00 0.00 O ATOM 1064 CB ARG A 71 1.432 6.220 -6.745 1.00 0.00 C ATOM 1065 CG ARG A 71 0.755 7.575 -6.871 1.00 0.00 C ATOM 1066 CD ARG A 71 1.245 8.332 -8.095 1.00 0.00 C ATOM 1067 NE ARG A 71 0.334 8.185 -9.229 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.337 8.989 -10.291 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.200 9.995 -10.368 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -0.524 8.784 -11.278 1.00 0.00 N ATOM 0 H ARG A 71 0.936 6.023 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.458 5.200 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.305 6.318 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.794 5.912 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.325 7.439 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.950 8.165 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.351 9.389 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.234 7.969 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.343 7.423 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.865 10.155 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.198 10.608 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.188 8.011 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.523 9.399 -12.092 1.00 0.00 H new ATOM 1084 N GLU A 72 1.949 3.263 -5.590 1.00 0.00 N ATOM 1085 CA GLU A 72 2.578 1.958 -5.761 1.00 0.00 C ATOM 1086 C GLU A 72 1.637 0.841 -5.324 1.00 0.00 C ATOM 1087 O GLU A 72 1.668 -0.261 -5.871 1.00 0.00 O ATOM 1088 CB GLU A 72 3.880 1.886 -4.962 1.00 0.00 C ATOM 1089 CG GLU A 72 5.054 2.565 -5.649 1.00 0.00 C ATOM 1090 CD GLU A 72 5.886 1.600 -6.470 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.381 1.111 -7.503 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.042 1.332 -6.081 1.00 0.00 O ATOM 0 H GLU A 72 2.214 3.750 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 72 2.803 1.827 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.724 2.347 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.130 0.840 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.682 3.359 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.687 3.036 -4.897 1.00 0.00 H new ATOM 1099 N LEU A 73 0.799 1.134 -4.334 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.153 0.154 -3.824 1.00 0.00 C ATOM 1101 C LEU A 73 -1.204 -0.183 -4.875 1.00 0.00 C ATOM 1102 O LEU A 73 -1.566 -1.345 -5.055 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.831 0.684 -2.558 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.725 -0.324 -1.833 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.883 -1.406 -1.175 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.593 0.381 -0.802 1.00 0.00 C ATOM 0 H LEU A 73 0.760 2.041 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 73 0.395 -0.757 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.060 1.026 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.431 1.555 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.378 -0.797 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.535 -2.114 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.304 -1.930 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.205 -0.951 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.223 -0.350 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.957 0.880 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.222 1.119 -1.300 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.689 0.842 -5.570 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.699 0.654 -6.605 1.00 0.00 C ATOM 1120 C VAL A 74 -2.116 -0.071 -7.814 1.00 0.00 C ATOM 1121 O VAL A 74 -2.807 -0.842 -8.480 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.292 2.000 -7.064 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.450 1.775 -8.025 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.738 2.826 -5.866 1.00 0.00 C ATOM 0 H VAL A 74 -1.399 1.810 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.492 0.048 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.516 2.555 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.855 2.737 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.096 1.229 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.229 1.198 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.154 3.773 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.498 2.278 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.883 3.020 -5.219 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.841 0.181 -8.091 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.166 -0.447 -9.219 1.00 0.00 C ATOM 1136 C GLU A 75 0.189 -1.897 -8.902 1.00 0.00 C ATOM 1137 O GLU A 75 -0.021 -2.792 -9.721 1.00 0.00 O ATOM 1138 CB GLU A 75 1.100 0.333 -9.583 1.00 0.00 C ATOM 1139 CG GLU A 75 0.879 1.384 -10.657 1.00 0.00 C ATOM 1140 CD GLU A 75 2.081 1.549 -11.567 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.735 0.532 -11.878 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.367 2.696 -11.970 1.00 0.00 O ATOM 0 H GLU A 75 -0.255 0.816 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.847 -0.436 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.489 0.817 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.863 -0.367 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.010 1.110 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.652 2.339 -10.184 1.00 0.00 H new ATOM 1149 N ALA A 76 0.730 -2.121 -7.709 1.00 0.00 N ATOM 1150 CA ALA A 76 1.113 -3.461 -7.283 1.00 0.00 C ATOM 1151 C ALA A 76 -0.088 -4.401 -7.278 1.00 0.00 C ATOM 1152 O ALA A 76 0.049 -5.601 -7.512 1.00 0.00 O ATOM 1153 CB ALA A 76 1.754 -3.413 -5.904 1.00 0.00 C ATOM 0 H ALA A 76 0.913 -1.391 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 76 1.840 -3.848 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.035 -4.421 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.643 -2.783 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.044 -3.001 -5.187 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.265 -3.845 -7.011 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.492 -4.634 -6.975 1.00 0.00 C ATOM 1161 C LEU A 77 -2.921 -5.035 -8.382 1.00 0.00 C ATOM 1162 O LEU A 77 -3.431 -6.135 -8.597 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.611 -3.845 -6.293 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.444 -3.655 -4.785 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.357 -2.549 -4.281 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.725 -4.957 -4.051 1.00 0.00 C ATOM 0 H LEU A 77 -1.396 -2.852 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.295 -5.540 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.680 -2.863 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.557 -4.354 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.413 -3.364 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.224 -2.429 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.109 -1.615 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.394 -2.809 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.602 -4.804 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.746 -5.278 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.029 -5.724 -4.391 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.712 -4.136 -9.338 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.078 -4.396 -10.726 1.00 0.00 C ATOM 1180 C ARG A 78 -2.091 -5.362 -11.376 1.00 0.00 C ATOM 1181 O ARG A 78 -2.477 -6.209 -12.181 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.127 -3.086 -11.516 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.521 -2.490 -11.618 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.611 -1.474 -12.745 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.369 -0.113 -12.275 1.00 0.00 N ATOM 1186 CZ ARG A 78 -4.697 0.979 -12.964 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -5.283 0.872 -14.150 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -4.442 2.180 -12.463 1.00 0.00 N ATOM 0 H ARG A 78 -2.291 -3.221 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.067 -4.854 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.465 -2.361 -11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.742 -3.262 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.247 -3.286 -11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.784 -2.012 -10.674 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.885 -1.725 -13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.598 -1.529 -13.205 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.923 0.009 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.484 -0.050 -14.538 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.532 1.711 -14.673 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.995 2.267 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.693 3.016 -12.990 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.818 -5.227 -11.021 1.00 0.00 N ATOM 1203 CA GLN A 79 0.224 -6.088 -11.570 1.00 0.00 C ATOM 1204 C GLN A 79 -0.048 -7.551 -11.238 1.00 0.00 C ATOM 1205 O GLN A 79 0.302 -8.448 -12.005 1.00 0.00 O ATOM 1206 CB GLN A 79 1.593 -5.675 -11.028 1.00 0.00 C ATOM 1207 CG GLN A 79 2.097 -4.355 -11.591 1.00 0.00 C ATOM 1208 CD GLN A 79 3.470 -3.984 -11.067 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.001 -4.636 -10.168 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.053 -2.930 -11.627 1.00 0.00 N ATOM 0 H GLN A 79 -0.483 -4.530 -10.356 1.00 0.00 H new ATOM 0 HA GLN A 79 0.221 -5.974 -12.654 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.537 -5.600 -9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.316 -6.458 -11.256 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.132 -4.418 -12.679 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.390 -3.564 -11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.577 -2.418 -12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.977 -2.632 -11.314 1.00 0.00 H new ATOM 1219 N MET A 80 -0.675 -7.785 -10.088 1.00 0.00 N ATOM 1220 CA MET A 80 -0.993 -9.140 -9.654 1.00 0.00 C ATOM 1221 C MET A 80 -2.356 -9.574 -10.185 1.00 0.00 C ATOM 1222 O MET A 80 -2.479 -10.613 -10.832 1.00 0.00 O ATOM 1223 CB MET A 80 -0.978 -9.225 -8.127 1.00 0.00 C ATOM 1224 CG MET A 80 0.420 -9.324 -7.538 1.00 0.00 C ATOM 1225 SD MET A 80 0.424 -9.208 -5.738 1.00 0.00 S ATOM 1226 CE MET A 80 -0.937 -10.296 -5.326 1.00 0.00 C ATOM 0 H MET A 80 -0.972 -7.054 -9.442 1.00 0.00 H new ATOM 0 HA MET A 80 -0.235 -9.812 -10.056 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.475 -8.345 -7.717 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.558 -10.093 -7.814 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.871 -10.270 -7.838 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.041 -8.529 -7.951 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.972 -10.442 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.873 -9.851 -5.663 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.795 -11.258 -5.818 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.377 -8.771 -9.904 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.718 -9.089 -10.360 1.00 0.00 C ATOM 1238 C GLY A 81 -5.764 -8.868 -9.285 1.00 0.00 C ATOM 1239 O GLY A 81 -6.647 -9.702 -9.089 1.00 0.00 O ATOM 0 H GLY A 81 -3.300 -7.906 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.958 -8.475 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.751 -10.129 -10.686 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.663 -7.741 -8.586 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.607 -7.413 -7.525 1.00 0.00 C ATOM 1245 C TYR A 82 -7.620 -6.377 -7.999 1.00 0.00 C ATOM 1246 O TYR A 82 -7.250 -5.327 -8.523 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.862 -6.892 -6.295 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.561 -7.963 -5.270 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.586 -8.656 -4.640 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.251 -8.279 -4.932 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.314 -9.635 -3.703 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -3.971 -9.256 -3.996 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.006 -9.932 -3.385 1.00 0.00 C ATOM 1254 OH TYR A 82 -4.732 -10.905 -2.453 1.00 0.00 O ATOM 0 H TYR A 82 -4.937 -7.041 -8.736 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.145 -8.322 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.926 -6.434 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.457 -6.108 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.612 -8.426 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.438 -7.752 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.123 -10.165 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.947 -9.489 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.132 -11.753 -2.738 1.00 0.00 H new ATOM 1264 N THR A 83 -8.900 -6.681 -7.812 1.00 0.00 N ATOM 1265 CA THR A 83 -9.969 -5.776 -8.221 1.00 0.00 C ATOM 1266 C THR A 83 -10.660 -5.165 -7.006 1.00 0.00 C ATOM 1267 O THR A 83 -11.139 -4.032 -7.055 1.00 0.00 O ATOM 1268 CB THR A 83 -10.991 -6.518 -9.084 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.405 -7.658 -9.686 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.574 -5.665 -10.189 1.00 0.00 C ATOM 0 H THR A 83 -9.223 -7.547 -7.380 1.00 0.00 H new ATOM 0 HA THR A 83 -9.525 -4.971 -8.807 1.00 0.00 H new ATOM 0 HB THR A 83 -11.794 -6.799 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.075 -8.120 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.291 -6.253 -10.762 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.077 -4.801 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.774 -5.326 -10.847 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.710 -5.925 -5.915 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.343 -5.458 -4.687 1.00 0.00 C ATOM 1280 C GLU A 84 -10.422 -4.509 -3.925 1.00 0.00 C ATOM 1281 O GLU A 84 -10.862 -3.477 -3.418 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.717 -6.647 -3.799 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.144 -7.130 -3.999 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.525 -8.239 -3.038 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.873 -7.928 -1.879 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -13.473 -9.419 -3.443 1.00 0.00 O ATOM 0 H GLU A 84 -10.320 -6.866 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.249 -4.915 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.032 -7.470 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.580 -6.367 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.829 -6.292 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.263 -7.485 -5.023 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.143 -4.866 -3.849 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.162 -4.047 -3.149 1.00 0.00 C ATOM 1295 C ALA A 85 -8.088 -2.646 -3.748 1.00 0.00 C ATOM 1296 O ALA A 85 -7.901 -1.663 -3.031 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.795 -4.713 -3.190 1.00 0.00 C ATOM 0 H ALA A 85 -8.763 -5.717 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.478 -3.953 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.071 -4.091 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.852 -5.690 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.481 -4.836 -4.227 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.236 -2.562 -5.065 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.187 -1.281 -5.760 1.00 0.00 C ATOM 1305 C ILE A 86 -9.447 -0.464 -5.495 1.00 0.00 C ATOM 1306 O ILE A 86 -9.410 0.767 -5.490 1.00 0.00 O ATOM 1307 CB ILE A 86 -8.022 -1.472 -7.280 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.877 -2.444 -7.572 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.776 -0.133 -7.959 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.659 -2.693 -9.049 1.00 0.00 C ATOM 0 H ILE A 86 -8.391 -3.366 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.321 -0.744 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.943 -1.895 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.958 -2.051 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.082 -3.394 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.662 -0.285 -9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.622 0.529 -7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.868 0.317 -7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.833 -3.391 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.565 -3.115 -9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.423 -1.752 -9.546 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.560 -1.155 -5.276 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.832 -0.493 -5.010 1.00 0.00 C ATOM 1324 C GLU A 87 -11.842 0.131 -3.619 1.00 0.00 C ATOM 1325 O GLU A 87 -12.314 1.252 -3.434 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.986 -1.490 -5.142 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.277 -1.897 -6.577 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.610 -1.371 -7.075 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.648 -1.985 -6.753 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.614 -0.345 -7.787 1.00 0.00 O ATOM 0 H GLU A 87 -10.607 -2.174 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.960 0.302 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.753 -2.382 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.885 -1.052 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.481 -1.528 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.270 -2.984 -6.651 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.317 -0.604 -2.642 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.267 -0.123 -1.267 1.00 0.00 C ATOM 1339 C VAL A 88 -10.463 1.169 -1.164 1.00 0.00 C ATOM 1340 O VAL A 88 -10.731 2.012 -0.308 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.648 -1.173 -0.327 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.785 -0.739 1.125 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.294 -2.534 -0.548 1.00 0.00 C ATOM 0 H VAL A 88 -10.921 -1.534 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.296 0.067 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.586 -1.258 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.342 -1.494 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.272 0.211 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.840 -0.623 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.844 -3.264 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.363 -2.466 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.138 -2.848 -1.580 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.476 1.318 -2.042 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.633 2.508 -2.049 1.00 0.00 C ATOM 1355 C ILE A 89 -9.278 3.635 -2.849 1.00 0.00 C ATOM 1356 O ILE A 89 -9.161 4.808 -2.492 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.241 2.207 -2.638 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.646 0.957 -1.987 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.317 3.400 -2.450 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.504 0.353 -2.772 1.00 0.00 C ATOM 0 H ILE A 89 -9.241 0.630 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.521 2.821 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.348 2.020 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.295 1.210 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.431 0.210 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.338 3.172 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.737 4.269 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.213 3.616 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.131 -0.529 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.855 0.068 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.701 1.084 -2.867 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.958 3.272 -3.931 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.621 4.254 -4.782 1.00 0.00 C ATOM 1374 C GLN A 90 -11.900 4.767 -4.127 1.00 0.00 C ATOM 1375 O GLN A 90 -12.214 5.955 -4.199 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.942 3.643 -6.147 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.786 3.706 -7.129 1.00 0.00 C ATOM 1378 CD GLN A 90 -10.151 3.160 -8.496 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -11.326 2.950 -8.801 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.143 2.926 -9.328 1.00 0.00 N ATOM 0 H GLN A 90 -10.065 2.306 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.942 5.096 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.235 2.602 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.800 4.162 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.457 4.740 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.944 3.141 -6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.185 3.114 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.327 2.558 -10.261 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.637 3.862 -3.490 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.881 4.221 -2.823 1.00 0.00 C ATOM 1391 C ALA A 91 -13.634 5.215 -1.694 1.00 0.00 C ATOM 1392 O ALA A 91 -14.490 6.045 -1.386 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.573 2.975 -2.290 1.00 0.00 C ATOM 0 H ALA A 91 -12.393 2.874 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.531 4.699 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.501 3.258 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.795 2.300 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.919 2.473 -1.577 1.00 0.00 H new