USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ -178:sc= 0.943 (180deg=0.516) USER MOD Set 1.2: A 88 THR OG1 : rot -106:sc= 1.55 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.836 K(o=0.44,f=-6.9!) USER MOD Set 2.2: B 208 THR OG1 : rot 95:sc= 1.27 USER MOD Set 3.1: A 77 THR OG1 : rot -118:sc= 1.91 USER MOD Set 3.2: A 80 GLN : amide:sc= 0.844 K(o=2.8,f=-0.42) USER MOD Single : A 13 THR OG1 : rot -30:sc= 0.159 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -38:sc= 0.643 USER MOD Single : A 60 HIS : no HD1:sc= 0.534 K(o=0.53,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.305) USER MOD Single : A 69 ASN : amide:sc= 2.1 K(o=2.1,f=-8.9!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.21) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 93 HIS : no HD1:sc= 0.833 K(o=0.83,f=-2.8!) USER MOD Single : A 98 LYS NZ :NH3+ -151:sc= 1.11 (180deg=0.207) USER MOD Single : B 209 SER OG : rot 33:sc= 0.0556 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.204 -7.778 -5.669 1.00 0.00 N ATOM 74 CA THR A 13 -6.349 -6.632 -5.686 1.00 0.00 C ATOM 75 C THR A 13 -7.112 -5.356 -5.606 1.00 0.00 C ATOM 76 O THR A 13 -8.201 -5.202 -6.156 1.00 0.00 O ATOM 77 CB THR A 13 -5.421 -6.560 -6.862 1.00 0.00 C ATOM 78 OG1 THR A 13 -6.095 -6.840 -8.081 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.321 -7.622 -6.694 1.00 0.00 C ATOM 0 HA THR A 13 -5.738 -6.761 -4.793 1.00 0.00 H new ATOM 0 HB THR A 13 -5.013 -5.550 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.833 -7.462 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.640 -7.578 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.767 -7.430 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.775 -8.612 -6.643 1.00 0.00 H new ATOM 87 N PHE A 14 -6.542 -4.362 -4.902 1.00 0.00 N ATOM 88 CA PHE A 14 -6.993 -3.005 -4.949 1.00 0.00 C ATOM 89 C PHE A 14 -5.943 -2.283 -5.722 1.00 0.00 C ATOM 90 O PHE A 14 -4.758 -2.551 -5.530 1.00 0.00 O ATOM 91 CB PHE A 14 -7.004 -2.231 -3.620 1.00 0.00 C ATOM 92 CG PHE A 14 -7.862 -2.683 -2.490 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.391 -3.944 -2.340 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.062 -1.760 -1.491 1.00 0.00 C ATOM 95 CE1 PHE A 14 -9.087 -4.284 -1.203 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.787 -2.081 -0.368 1.00 0.00 C ATOM 97 CZ PHE A 14 -9.279 -3.354 -0.209 1.00 0.00 C ATOM 0 H PHE A 14 -5.745 -4.506 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.013 -3.045 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.978 -2.205 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.287 -1.204 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.258 -4.675 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.644 -0.769 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.483 -5.283 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.970 -1.333 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.813 -3.622 0.691 1.00 0.00 H new ATOM 107 N GLU A 15 -6.326 -1.291 -6.545 1.00 0.00 N ATOM 108 CA GLU A 15 -5.418 -0.269 -6.962 1.00 0.00 C ATOM 109 C GLU A 15 -5.975 1.019 -6.460 1.00 0.00 C ATOM 110 O GLU A 15 -6.605 1.794 -7.177 1.00 0.00 O ATOM 111 CB GLU A 15 -5.161 -0.274 -8.478 1.00 0.00 C ATOM 112 CG GLU A 15 -4.396 -1.499 -8.982 1.00 0.00 C ATOM 113 CD GLU A 15 -4.021 -1.361 -10.451 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.395 -0.325 -10.802 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.334 -2.276 -11.259 1.00 0.00 O ATOM 0 H GLU A 15 -7.269 -1.197 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.427 -0.441 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.118 -0.219 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.602 0.623 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.493 -1.635 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.006 -2.392 -8.844 1.00 0.00 H new ATOM 122 N VAL A 16 -5.789 1.264 -5.150 1.00 0.00 N ATOM 123 CA VAL A 16 -6.408 2.292 -4.372 1.00 0.00 C ATOM 124 C VAL A 16 -5.435 3.416 -4.278 1.00 0.00 C ATOM 125 O VAL A 16 -4.354 3.274 -3.708 1.00 0.00 O ATOM 126 CB VAL A 16 -6.878 1.711 -3.071 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.672 2.601 -1.834 1.00 0.00 C ATOM 128 CG2 VAL A 16 -8.366 1.335 -3.161 1.00 0.00 C ATOM 0 H VAL A 16 -5.153 0.695 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.311 2.703 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.246 0.835 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.046 2.086 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.610 2.811 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.214 3.537 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.693 0.915 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.953 2.225 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.508 0.598 -3.951 1.00 0.00 H new ATOM 138 N GLU A 17 -5.723 4.578 -4.891 1.00 0.00 N ATOM 139 CA GLU A 17 -4.824 5.688 -4.955 1.00 0.00 C ATOM 140 C GLU A 17 -5.337 6.887 -4.232 1.00 0.00 C ATOM 141 O GLU A 17 -6.508 7.250 -4.318 1.00 0.00 O ATOM 142 CB GLU A 17 -4.373 6.040 -6.383 1.00 0.00 C ATOM 143 CG GLU A 17 -5.269 6.930 -7.246 1.00 0.00 C ATOM 144 CD GLU A 17 -6.526 6.245 -7.764 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.545 6.194 -7.025 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.523 5.788 -8.938 1.00 0.00 O ATOM 0 H GLU A 17 -6.613 4.751 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.930 5.350 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.400 6.525 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.223 5.104 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.560 7.804 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.690 7.291 -8.096 1.00 0.00 H new ATOM 153 N LEU A 18 -4.459 7.537 -3.448 1.00 0.00 N ATOM 154 CA LEU A 18 -4.836 8.591 -2.559 1.00 0.00 C ATOM 155 C LEU A 18 -3.623 9.379 -2.203 1.00 0.00 C ATOM 156 O LEU A 18 -2.524 9.051 -2.649 1.00 0.00 O ATOM 157 CB LEU A 18 -5.494 8.046 -1.279 1.00 0.00 C ATOM 158 CG LEU A 18 -4.702 6.982 -0.501 1.00 0.00 C ATOM 159 CD1 LEU A 18 -5.112 7.058 0.978 1.00 0.00 C ATOM 160 CD2 LEU A 18 -4.950 5.552 -1.011 1.00 0.00 C ATOM 0 H LEU A 18 -3.462 7.324 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.567 9.223 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.686 8.885 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.462 7.623 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.642 7.194 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.560 6.310 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.886 8.050 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.181 6.868 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.363 4.848 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.009 5.310 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.655 5.483 -2.058 1.00 0.00 H new ATOM 172 N ALA A 19 -3.749 10.449 -1.398 1.00 0.00 N ATOM 173 CA ALA A 19 -2.655 11.270 -0.978 1.00 0.00 C ATOM 174 C ALA A 19 -2.502 11.258 0.504 1.00 0.00 C ATOM 175 O ALA A 19 -3.473 11.302 1.258 1.00 0.00 O ATOM 176 CB ALA A 19 -2.845 12.708 -1.491 1.00 0.00 C ATOM 0 H ALA A 19 -4.648 10.755 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.741 10.859 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.007 13.324 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.890 12.703 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.773 13.117 -1.091 1.00 0.00 H new ATOM 182 N LYS A 20 -1.257 11.201 1.008 1.00 0.00 N ATOM 183 CA LYS A 20 -0.967 11.137 2.406 1.00 0.00 C ATOM 184 C LYS A 20 -0.940 12.496 3.016 1.00 0.00 C ATOM 185 O LYS A 20 -0.469 13.452 2.402 1.00 0.00 O ATOM 186 CB LYS A 20 0.358 10.425 2.728 1.00 0.00 C ATOM 187 CG LYS A 20 1.079 9.783 1.541 1.00 0.00 C ATOM 188 CD LYS A 20 2.022 10.707 0.768 1.00 0.00 C ATOM 189 CE LYS A 20 3.422 10.729 1.386 1.00 0.00 C ATOM 190 NZ LYS A 20 4.395 11.390 0.489 1.00 0.00 N ATOM 0 H LYS A 20 -0.423 11.199 0.421 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.776 10.546 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.032 11.146 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.161 9.651 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.651 8.929 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.331 9.395 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.087 10.377 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.613 11.717 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.392 11.252 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.748 9.709 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.341 11.359 0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.415 10.896 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.114 12.380 0.341 1.00 0.00 H new ATOM 204 N THR A 21 -1.402 12.644 4.270 1.00 0.00 N ATOM 205 CA THR A 21 -1.416 13.907 4.943 1.00 0.00 C ATOM 206 C THR A 21 -0.211 14.016 5.811 1.00 0.00 C ATOM 207 O THR A 21 -0.105 13.391 6.865 1.00 0.00 O ATOM 208 CB THR A 21 -2.722 14.197 5.621 1.00 0.00 C ATOM 209 OG1 THR A 21 -2.888 15.576 5.915 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.020 13.388 6.896 1.00 0.00 C ATOM 0 H THR A 21 -1.772 11.874 4.827 1.00 0.00 H new ATOM 0 HA THR A 21 -1.349 14.709 4.208 1.00 0.00 H new ATOM 0 HB THR A 21 -3.443 13.872 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.753 15.715 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.990 13.684 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.035 12.325 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.246 13.582 7.639 1.00 0.00 H new ATOM 218 N ASP A 22 0.806 14.770 5.357 1.00 0.00 N ATOM 219 CA ASP A 22 2.111 14.871 5.933 1.00 0.00 C ATOM 220 C ASP A 22 2.770 13.589 6.311 1.00 0.00 C ATOM 221 O ASP A 22 3.098 13.342 7.470 1.00 0.00 O ATOM 222 CB ASP A 22 2.145 15.903 7.072 1.00 0.00 C ATOM 223 CG ASP A 22 2.422 17.290 6.508 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.584 17.798 5.715 1.00 0.00 O ATOM 225 OD2 ASP A 22 3.504 17.854 6.819 1.00 0.00 O ATOM 0 H ASP A 22 0.707 15.352 4.525 1.00 0.00 H new ATOM 0 HA ASP A 22 2.732 15.231 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.194 15.901 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.916 15.634 7.795 1.00 0.00 H new ATOM 230 N GLY A 23 3.022 12.713 5.321 1.00 0.00 N ATOM 231 CA GLY A 23 3.682 11.459 5.506 1.00 0.00 C ATOM 232 C GLY A 23 2.933 10.495 6.358 1.00 0.00 C ATOM 233 O GLY A 23 3.486 9.945 7.310 1.00 0.00 O ATOM 0 H GLY A 23 2.754 12.887 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.856 11.005 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.660 11.638 5.953 1.00 0.00 H new ATOM 237 N SER A 24 1.639 10.290 6.053 1.00 0.00 N ATOM 238 CA SER A 24 0.746 9.544 6.885 1.00 0.00 C ATOM 239 C SER A 24 -0.492 9.293 6.094 1.00 0.00 C ATOM 240 O SER A 24 -1.400 10.113 5.968 1.00 0.00 O ATOM 241 CB SER A 24 0.453 10.255 8.217 1.00 0.00 C ATOM 242 OG SER A 24 -0.428 9.561 9.087 1.00 0.00 O ATOM 0 H SER A 24 1.202 10.652 5.206 1.00 0.00 H new ATOM 0 HA SER A 24 1.206 8.598 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.396 10.422 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.029 11.236 8.002 1.00 0.00 H new ATOM 0 HG SER A 24 -0.556 10.083 9.907 1.00 0.00 H new ATOM 248 N LEU A 25 -0.537 8.093 5.487 1.00 0.00 N ATOM 249 CA LEU A 25 -1.679 7.469 4.897 1.00 0.00 C ATOM 250 C LEU A 25 -2.557 7.041 6.023 1.00 0.00 C ATOM 251 O LEU A 25 -3.766 7.269 6.065 1.00 0.00 O ATOM 252 CB LEU A 25 -1.251 6.189 4.161 1.00 0.00 C ATOM 253 CG LEU A 25 -0.135 6.363 3.117 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.609 5.035 2.901 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.698 6.928 1.802 1.00 0.00 C ATOM 0 H LEU A 25 0.298 7.513 5.403 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.169 8.154 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.921 5.459 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.125 5.767 3.665 1.00 0.00 H new ATOM 0 HG LEU A 25 0.587 7.087 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.395 5.175 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.052 4.709 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.092 4.279 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.110 7.042 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.447 6.244 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.156 7.899 1.990 1.00 0.00 H new ATOM 267 N GLY A 26 -1.909 6.409 7.018 1.00 0.00 N ATOM 268 CA GLY A 26 -2.512 5.980 8.240 1.00 0.00 C ATOM 269 C GLY A 26 -2.500 4.493 8.340 1.00 0.00 C ATOM 270 O GLY A 26 -3.468 3.882 8.790 1.00 0.00 O ATOM 0 H GLY A 26 -0.915 6.187 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.977 6.411 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.538 6.345 8.293 1.00 0.00 H new ATOM 274 N ILE A 27 -1.385 3.876 7.908 1.00 0.00 N ATOM 275 CA ILE A 27 -1.196 2.463 8.024 1.00 0.00 C ATOM 276 C ILE A 27 0.056 2.178 8.780 1.00 0.00 C ATOM 277 O ILE A 27 1.117 2.737 8.507 1.00 0.00 O ATOM 278 CB ILE A 27 -1.262 1.782 6.689 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.172 2.255 5.713 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.669 2.056 6.132 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.256 1.596 4.337 1.00 0.00 C ATOM 0 H ILE A 27 -0.603 4.365 7.472 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.019 2.038 8.599 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.078 0.715 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.247 3.336 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.807 2.049 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.773 1.581 5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.416 1.650 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.817 3.131 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.543 1.977 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.151 0.516 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.220 1.824 3.883 1.00 0.00 H new ATOM 293 N SER A 28 -0.044 1.305 9.798 1.00 0.00 N ATOM 294 CA SER A 28 1.061 0.747 10.514 1.00 0.00 C ATOM 295 C SER A 28 1.625 -0.450 9.829 1.00 0.00 C ATOM 296 O SER A 28 0.979 -1.494 9.745 1.00 0.00 O ATOM 297 CB SER A 28 0.742 0.252 11.935 1.00 0.00 C ATOM 298 OG SER A 28 0.501 1.332 12.825 1.00 0.00 O ATOM 0 H SER A 28 -0.945 0.971 10.140 1.00 0.00 H new ATOM 0 HA SER A 28 1.751 1.590 10.556 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.132 -0.398 11.906 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.573 -0.348 12.307 1.00 0.00 H new ATOM 0 HG SER A 28 0.300 0.982 13.718 1.00 0.00 H new ATOM 304 N VAL A 29 2.871 -0.366 9.331 1.00 0.00 N ATOM 305 CA VAL A 29 3.484 -1.407 8.567 1.00 0.00 C ATOM 306 C VAL A 29 4.195 -2.476 9.325 1.00 0.00 C ATOM 307 O VAL A 29 5.095 -2.246 10.131 1.00 0.00 O ATOM 308 CB VAL A 29 4.373 -0.847 7.496 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.487 -0.163 6.442 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.411 0.128 8.078 1.00 0.00 C ATOM 0 H VAL A 29 3.469 0.449 9.464 1.00 0.00 H new ATOM 0 HA VAL A 29 2.629 -1.920 8.128 1.00 0.00 H new ATOM 0 HB VAL A 29 4.938 -1.654 7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.114 0.252 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.801 -0.894 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.917 0.639 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.038 0.514 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.898 0.956 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.033 -0.394 8.805 1.00 0.00 H new ATOM 320 N THR A 30 3.816 -3.740 9.066 1.00 0.00 N ATOM 321 CA THR A 30 4.451 -4.934 9.531 1.00 0.00 C ATOM 322 C THR A 30 4.840 -5.773 8.364 1.00 0.00 C ATOM 323 O THR A 30 4.371 -5.579 7.243 1.00 0.00 O ATOM 324 CB THR A 30 3.594 -5.722 10.478 1.00 0.00 C ATOM 325 OG1 THR A 30 4.215 -6.867 11.042 1.00 0.00 O ATOM 326 CG2 THR A 30 2.263 -6.178 9.856 1.00 0.00 C ATOM 0 H THR A 30 3.002 -3.941 8.486 1.00 0.00 H new ATOM 0 HA THR A 30 5.337 -4.636 10.092 1.00 0.00 H new ATOM 0 HB THR A 30 3.415 -5.000 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.587 -7.316 11.645 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.691 -6.742 10.593 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.690 -5.305 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.463 -6.810 8.991 1.00 0.00 H new ATOM 334 N GLY A 31 5.728 -6.757 8.588 1.00 0.00 N ATOM 335 CA GLY A 31 6.197 -7.673 7.594 1.00 0.00 C ATOM 336 C GLY A 31 7.513 -7.271 7.022 1.00 0.00 C ATOM 337 O GLY A 31 8.380 -6.736 7.712 1.00 0.00 O ATOM 0 H GLY A 31 6.139 -6.922 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.284 -8.667 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.462 -7.742 6.792 1.00 0.00 H new ATOM 341 N GLY A 32 7.696 -7.530 5.716 1.00 0.00 N ATOM 342 CA GLY A 32 8.892 -7.224 4.995 1.00 0.00 C ATOM 343 C GLY A 32 9.801 -8.402 4.917 1.00 0.00 C ATOM 344 O GLY A 32 9.679 -9.373 5.662 1.00 0.00 O ATOM 0 H GLY A 32 6.981 -7.971 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.636 -6.894 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.409 -6.396 5.481 1.00 0.00 H new ATOM 348 N VAL A 33 10.805 -8.350 4.023 1.00 0.00 N ATOM 349 CA VAL A 33 11.750 -9.402 3.814 1.00 0.00 C ATOM 350 C VAL A 33 12.600 -9.682 5.005 1.00 0.00 C ATOM 351 O VAL A 33 13.235 -10.729 5.128 1.00 0.00 O ATOM 352 CB VAL A 33 12.554 -9.144 2.574 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.639 -8.075 2.791 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.150 -10.446 2.015 1.00 0.00 C ATOM 0 H VAL A 33 10.964 -7.542 3.422 1.00 0.00 H new ATOM 0 HA VAL A 33 11.182 -10.320 3.662 1.00 0.00 H new ATOM 0 HB VAL A 33 11.867 -8.744 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.193 -7.925 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.171 -7.137 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.323 -8.404 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.727 -10.226 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.801 -10.898 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.345 -11.138 1.769 1.00 0.00 H new ATOM 467 N GLY A 41 7.133 -7.898 0.416 1.00 0.00 N ATOM 468 CA GLY A 41 5.900 -7.189 0.561 1.00 0.00 C ATOM 469 C GLY A 41 5.741 -6.644 1.940 1.00 0.00 C ATOM 470 O GLY A 41 6.322 -7.155 2.895 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.862 -6.373 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.067 -7.855 0.334 1.00 0.00 H new ATOM 474 N ILE A 42 4.927 -5.588 2.110 1.00 0.00 N ATOM 475 CA ILE A 42 4.609 -5.090 3.412 1.00 0.00 C ATOM 476 C ILE A 42 3.177 -5.396 3.690 1.00 0.00 C ATOM 477 O ILE A 42 2.425 -5.794 2.803 1.00 0.00 O ATOM 478 CB ILE A 42 5.079 -3.685 3.646 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.473 -3.427 5.110 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.110 -2.565 3.228 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.729 -4.178 5.549 1.00 0.00 C ATOM 0 H ILE A 42 4.488 -5.078 1.344 1.00 0.00 H new ATOM 0 HA ILE A 42 5.184 -5.608 4.180 1.00 0.00 H new ATOM 0 HB ILE A 42 5.944 -3.633 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.631 -2.358 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.644 -3.715 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.559 -1.596 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.907 -2.639 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.177 -2.665 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.945 -3.947 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.568 -5.251 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.571 -3.873 4.928 1.00 0.00 H new ATOM 493 N TYR A 43 2.743 -5.339 4.962 1.00 0.00 N ATOM 494 CA TYR A 43 1.421 -5.722 5.354 1.00 0.00 C ATOM 495 C TYR A 43 0.941 -4.699 6.325 1.00 0.00 C ATOM 496 O TYR A 43 1.716 -3.943 6.910 1.00 0.00 O ATOM 497 CB TYR A 43 1.415 -7.077 6.080 1.00 0.00 C ATOM 498 CG TYR A 43 1.719 -8.229 5.184 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.001 -8.486 4.761 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.707 -9.083 4.813 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.259 -9.558 3.939 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.965 -10.184 4.031 1.00 0.00 C ATOM 503 CZ TYR A 43 2.246 -10.421 3.592 1.00 0.00 C ATOM 504 OH TYR A 43 2.534 -11.532 2.770 1.00 0.00 O ATOM 0 H TYR A 43 3.324 -5.019 5.737 1.00 0.00 H new ATOM 0 HA TYR A 43 0.796 -5.798 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.146 -7.051 6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.438 -7.231 6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.810 -7.843 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.303 -8.886 5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.259 -9.722 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.166 -10.859 3.763 1.00 0.00 H new ATOM 0 HH TYR A 43 1.714 -12.046 2.616 1.00 0.00 H new ATOM 514 N VAL A 44 -0.383 -4.624 6.554 1.00 0.00 N ATOM 515 CA VAL A 44 -0.931 -3.775 7.565 1.00 0.00 C ATOM 516 C VAL A 44 -1.041 -4.474 8.876 1.00 0.00 C ATOM 517 O VAL A 44 -1.693 -5.512 8.982 1.00 0.00 O ATOM 518 CB VAL A 44 -2.318 -3.320 7.221 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.587 -2.028 8.011 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.506 -3.094 5.711 1.00 0.00 C ATOM 0 H VAL A 44 -1.079 -5.157 6.033 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.246 -2.929 7.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.032 -4.098 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.590 -1.666 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.506 -2.231 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.856 -1.270 7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.527 -2.766 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.808 -2.331 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.317 -4.025 5.177 1.00 0.00 H new ATOM 530 N LYS A 45 -0.472 -3.907 9.954 1.00 0.00 N ATOM 531 CA LYS A 45 -0.737 -4.329 11.295 1.00 0.00 C ATOM 532 C LYS A 45 -2.000 -3.708 11.783 1.00 0.00 C ATOM 533 O LYS A 45 -2.905 -4.380 12.276 1.00 0.00 O ATOM 534 CB LYS A 45 0.412 -3.933 12.238 1.00 0.00 C ATOM 535 CG LYS A 45 0.243 -4.351 13.700 1.00 0.00 C ATOM 536 CD LYS A 45 0.494 -5.833 13.988 1.00 0.00 C ATOM 537 CE LYS A 45 1.920 -6.158 14.433 1.00 0.00 C ATOM 538 NZ LYS A 45 2.014 -7.558 14.904 1.00 0.00 N ATOM 0 H LYS A 45 0.191 -3.134 9.892 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.831 -5.415 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.336 -4.370 11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.532 -2.850 12.200 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.923 -3.758 14.311 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.770 -4.102 14.017 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.199 -6.162 14.762 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.267 -6.408 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.610 -6.001 13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.221 -5.479 15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.990 -7.759 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.371 -7.697 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.748 -8.202 14.132 1.00 0.00 H new ATOM 552 N ALA A 46 -2.096 -2.372 11.654 1.00 0.00 N ATOM 553 CA ALA A 46 -3.203 -1.587 12.104 1.00 0.00 C ATOM 554 C ALA A 46 -3.545 -0.543 11.096 1.00 0.00 C ATOM 555 O ALA A 46 -2.676 0.157 10.580 1.00 0.00 O ATOM 556 CB ALA A 46 -2.871 -0.916 13.448 1.00 0.00 C ATOM 0 H ALA A 46 -1.365 -1.813 11.214 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.059 -2.248 12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.723 -0.322 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.652 -1.681 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.002 -0.269 13.327 1.00 0.00 H new ATOM 562 N ILE A 47 -4.847 -0.403 10.788 1.00 0.00 N ATOM 563 CA ILE A 47 -5.409 0.719 10.103 1.00 0.00 C ATOM 564 C ILE A 47 -5.833 1.681 11.159 1.00 0.00 C ATOM 565 O ILE A 47 -6.629 1.351 12.037 1.00 0.00 O ATOM 566 CB ILE A 47 -6.608 0.358 9.277 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.246 -0.676 8.198 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.236 1.598 8.620 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.231 -0.159 7.179 1.00 0.00 C ATOM 0 H ILE A 47 -5.543 -1.109 11.029 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.666 1.127 9.418 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.341 -0.081 9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.844 -1.568 8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.154 -0.978 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.102 1.298 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.549 2.300 9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.503 2.077 7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.021 -0.939 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.638 0.715 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.309 0.116 7.691 1.00 0.00 H new ATOM 581 N ILE A 48 -5.303 2.917 11.135 1.00 0.00 N ATOM 582 CA ILE A 48 -5.696 3.877 12.121 1.00 0.00 C ATOM 583 C ILE A 48 -7.042 4.428 11.796 1.00 0.00 C ATOM 584 O ILE A 48 -7.351 4.593 10.617 1.00 0.00 O ATOM 585 CB ILE A 48 -4.705 4.979 12.353 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.589 5.958 11.172 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.400 4.317 12.826 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.372 6.876 11.264 1.00 0.00 C ATOM 0 H ILE A 48 -4.620 3.247 10.453 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.736 3.333 13.065 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.042 5.655 13.139 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.538 5.391 10.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.492 6.567 11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.648 5.085 13.008 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.585 3.765 13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.041 3.631 12.059 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.351 7.540 10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.432 7.469 12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.463 6.275 11.281 1.00 0.00 H new ATOM 643 N ALA A 52 -6.215 8.754 6.014 1.00 0.00 N ATOM 644 CA ALA A 52 -6.391 8.865 4.600 1.00 0.00 C ATOM 645 C ALA A 52 -6.662 7.535 3.986 1.00 0.00 C ATOM 646 O ALA A 52 -7.523 7.393 3.120 1.00 0.00 O ATOM 647 CB ALA A 52 -5.112 9.503 4.032 1.00 0.00 C ATOM 0 HA ALA A 52 -7.256 9.487 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.206 9.606 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.967 10.487 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.256 8.869 4.263 1.00 0.00 H new ATOM 653 N ALA A 53 -5.939 6.501 4.449 1.00 0.00 N ATOM 654 CA ALA A 53 -5.968 5.153 3.969 1.00 0.00 C ATOM 655 C ALA A 53 -7.252 4.431 4.189 1.00 0.00 C ATOM 656 O ALA A 53 -7.827 3.908 3.235 1.00 0.00 O ATOM 657 CB ALA A 53 -4.815 4.361 4.610 1.00 0.00 C ATOM 0 H ALA A 53 -5.282 6.617 5.220 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.857 5.222 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.833 3.333 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.864 4.823 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.929 4.365 5.694 1.00 0.00 H new ATOM 663 N GLU A 54 -7.789 4.412 5.422 1.00 0.00 N ATOM 664 CA GLU A 54 -9.085 3.864 5.679 1.00 0.00 C ATOM 665 C GLU A 54 -10.132 4.541 4.864 1.00 0.00 C ATOM 666 O GLU A 54 -11.012 3.915 4.273 1.00 0.00 O ATOM 667 CB GLU A 54 -9.548 3.967 7.142 1.00 0.00 C ATOM 668 CG GLU A 54 -10.868 3.221 7.349 1.00 0.00 C ATOM 669 CD GLU A 54 -11.410 3.194 8.771 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.727 3.633 9.735 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.570 2.722 8.910 1.00 0.00 O ATOM 0 H GLU A 54 -7.320 4.780 6.249 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.971 2.812 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.784 3.553 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.671 5.015 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.621 3.673 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.736 2.192 7.013 1.00 0.00 H new ATOM 678 N SER A 55 -10.025 5.878 4.768 1.00 0.00 N ATOM 679 CA SER A 55 -10.956 6.688 4.045 1.00 0.00 C ATOM 680 C SER A 55 -10.934 6.536 2.563 1.00 0.00 C ATOM 681 O SER A 55 -11.799 7.123 1.915 1.00 0.00 O ATOM 682 CB SER A 55 -10.767 8.184 4.353 1.00 0.00 C ATOM 683 OG SER A 55 -11.864 8.981 3.930 1.00 0.00 O ATOM 0 H SER A 55 -9.272 6.410 5.204 1.00 0.00 H new ATOM 0 HA SER A 55 -11.918 6.317 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.624 8.313 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.859 8.538 3.865 1.00 0.00 H new ATOM 0 HG SER A 55 -12.204 8.643 3.075 1.00 0.00 H new ATOM 689 N ASP A 56 -10.022 5.774 1.931 1.00 0.00 N ATOM 690 CA ASP A 56 -10.068 5.667 0.506 1.00 0.00 C ATOM 691 C ASP A 56 -11.062 4.637 0.093 1.00 0.00 C ATOM 692 O ASP A 56 -12.269 4.873 0.092 1.00 0.00 O ATOM 693 CB ASP A 56 -8.692 5.482 -0.157 1.00 0.00 C ATOM 694 CG ASP A 56 -8.835 5.989 -1.586 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.053 7.223 -1.713 1.00 0.00 O ATOM 696 OD2 ASP A 56 -8.885 5.168 -2.542 1.00 0.00 O ATOM 0 H ASP A 56 -9.277 5.248 2.388 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.407 6.631 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.924 6.040 0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.392 4.434 -0.144 1.00 0.00 H new ATOM 701 N GLY A 57 -10.609 3.423 -0.271 1.00 0.00 N ATOM 702 CA GLY A 57 -11.498 2.389 -0.699 1.00 0.00 C ATOM 703 C GLY A 57 -12.009 1.562 0.431 1.00 0.00 C ATOM 704 O GLY A 57 -13.007 1.876 1.078 1.00 0.00 O ATOM 0 H GLY A 57 -9.624 3.158 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.341 2.836 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.982 1.744 -1.411 1.00 0.00 H new ATOM 708 N ARG A 58 -11.362 0.403 0.638 1.00 0.00 N ATOM 709 CA ARG A 58 -11.958 -0.714 1.305 1.00 0.00 C ATOM 710 C ARG A 58 -11.060 -1.321 2.326 1.00 0.00 C ATOM 711 O ARG A 58 -11.183 -2.503 2.645 1.00 0.00 O ATOM 712 CB ARG A 58 -12.285 -1.727 0.195 1.00 0.00 C ATOM 713 CG ARG A 58 -13.419 -1.278 -0.728 1.00 0.00 C ATOM 714 CD ARG A 58 -13.714 -2.160 -1.942 1.00 0.00 C ATOM 715 NE ARG A 58 -12.477 -2.343 -2.751 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.900 -1.404 -3.559 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.368 -0.126 -3.668 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.805 -1.771 -4.285 1.00 0.00 N ATOM 0 H ARG A 58 -10.402 0.237 0.335 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.844 -0.400 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.390 -1.902 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.555 -2.679 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.330 -1.203 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.188 -0.275 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.091 -3.129 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.494 -1.704 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.018 -3.253 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.185 0.165 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.901 0.537 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.442 -2.721 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.350 -1.095 -4.898 1.00 0.00 H new ATOM 732 N ILE A 59 -10.112 -0.565 2.909 1.00 0.00 N ATOM 733 CA ILE A 59 -9.093 -1.106 3.754 1.00 0.00 C ATOM 734 C ILE A 59 -9.505 -1.218 5.182 1.00 0.00 C ATOM 735 O ILE A 59 -9.914 -0.246 5.813 1.00 0.00 O ATOM 736 CB ILE A 59 -7.827 -0.304 3.689 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.495 0.179 2.268 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.686 -1.192 4.211 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.221 1.020 2.209 1.00 0.00 C ATOM 0 H ILE A 59 -10.053 0.446 2.790 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.919 -2.110 3.366 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.955 0.592 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.385 -0.685 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.330 0.766 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.748 -0.637 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.896 -1.487 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.604 -2.082 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.038 1.332 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.337 1.901 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.377 0.428 2.564 1.00 0.00 H new ATOM 751 N HIS A 60 -9.348 -2.421 5.764 1.00 0.00 N ATOM 752 CA HIS A 60 -9.365 -2.666 7.173 1.00 0.00 C ATOM 753 C HIS A 60 -8.352 -3.740 7.381 1.00 0.00 C ATOM 754 O HIS A 60 -8.028 -4.459 6.437 1.00 0.00 O ATOM 755 CB HIS A 60 -10.724 -3.105 7.744 1.00 0.00 C ATOM 756 CG HIS A 60 -11.677 -1.965 7.948 1.00 0.00 C ATOM 757 ND1 HIS A 60 -13.039 -2.163 7.850 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.407 -0.690 8.335 1.00 0.00 C ATOM 759 CE1 HIS A 60 -13.577 -0.996 8.153 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.632 -0.067 8.463 1.00 0.00 N ATOM 0 H HIS A 60 -9.201 -3.271 5.219 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.151 -1.737 7.701 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.176 -3.832 7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.564 -3.611 8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.434 -0.254 8.507 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.639 -0.802 8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.797 0.902 8.737 1.00 0.00 H new ATOM 768 N LYS A 61 -7.755 -3.860 8.579 1.00 0.00 N ATOM 769 CA LYS A 61 -6.451 -4.418 8.759 1.00 0.00 C ATOM 770 C LYS A 61 -6.238 -5.845 8.384 1.00 0.00 C ATOM 771 O LYS A 61 -7.137 -6.681 8.472 1.00 0.00 O ATOM 772 CB LYS A 61 -5.929 -4.152 10.181 1.00 0.00 C ATOM 773 CG LYS A 61 -6.456 -5.086 11.272 1.00 0.00 C ATOM 774 CD LYS A 61 -6.279 -4.505 12.676 1.00 0.00 C ATOM 775 CE LYS A 61 -6.036 -5.517 13.798 1.00 0.00 C ATOM 776 NZ LYS A 61 -4.655 -6.043 13.712 1.00 0.00 N ATOM 0 H LYS A 61 -8.193 -3.560 9.450 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.865 -3.881 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.841 -4.219 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.181 -3.127 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.513 -5.286 11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.936 -6.042 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.441 -3.808 12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.169 -3.927 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.194 -5.044 14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.752 -6.336 13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.313 -6.277 14.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.646 -6.899 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.035 -5.323 13.289 1.00 0.00 H new ATOM 790 N GLY A 62 -5.009 -6.164 7.941 1.00 0.00 N ATOM 791 CA GLY A 62 -4.555 -7.494 7.677 1.00 0.00 C ATOM 792 C GLY A 62 -4.406 -7.887 6.248 1.00 0.00 C ATOM 793 O GLY A 62 -4.444 -9.080 5.952 1.00 0.00 O ATOM 0 H GLY A 62 -4.296 -5.458 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.590 -7.626 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.250 -8.189 8.149 1.00 0.00 H new ATOM 797 N ASP A 63 -4.223 -6.939 5.311 1.00 0.00 N ATOM 798 CA ASP A 63 -3.959 -7.225 3.935 1.00 0.00 C ATOM 799 C ASP A 63 -2.524 -7.040 3.574 1.00 0.00 C ATOM 800 O ASP A 63 -1.715 -6.551 4.361 1.00 0.00 O ATOM 801 CB ASP A 63 -4.795 -6.333 3.003 1.00 0.00 C ATOM 802 CG ASP A 63 -6.271 -6.628 3.234 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.661 -7.826 3.211 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.058 -5.668 3.450 1.00 0.00 O ATOM 0 H ASP A 63 -4.260 -5.941 5.518 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.230 -8.273 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.585 -5.281 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.531 -6.522 1.963 1.00 0.00 H new ATOM 809 N ARG A 64 -2.163 -7.428 2.338 1.00 0.00 N ATOM 810 CA ARG A 64 -0.845 -7.291 1.802 1.00 0.00 C ATOM 811 C ARG A 64 -0.748 -6.076 0.943 1.00 0.00 C ATOM 812 O ARG A 64 -1.622 -5.780 0.131 1.00 0.00 O ATOM 813 CB ARG A 64 -0.464 -8.530 0.975 1.00 0.00 C ATOM 814 CG ARG A 64 1.023 -8.648 0.635 1.00 0.00 C ATOM 815 CD ARG A 64 1.343 -9.921 -0.152 1.00 0.00 C ATOM 816 NE ARG A 64 2.806 -10.172 -0.023 1.00 0.00 N ATOM 817 CZ ARG A 64 3.422 -11.216 -0.650 1.00 0.00 C ATOM 818 NH1 ARG A 64 2.869 -11.870 -1.714 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.643 -11.654 -0.225 1.00 0.00 N ATOM 0 H ARG A 64 -2.819 -7.856 1.684 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.154 -7.193 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.768 -9.422 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.034 -8.517 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.330 -7.778 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.605 -8.638 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.774 -10.765 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.065 -9.804 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 64 3.366 -9.543 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.958 -11.583 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.367 -12.646 -2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.101 -11.200 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.098 -12.435 -0.698 1.00 0.00 H new ATOM 833 N VAL A 65 0.354 -5.322 1.102 1.00 0.00 N ATOM 834 CA VAL A 65 0.735 -4.127 0.414 1.00 0.00 C ATOM 835 C VAL A 65 1.849 -4.538 -0.485 1.00 0.00 C ATOM 836 O VAL A 65 2.974 -4.755 -0.038 1.00 0.00 O ATOM 837 CB VAL A 65 1.255 -3.128 1.406 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.600 -1.779 0.753 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.306 -2.907 2.596 1.00 0.00 C ATOM 0 H VAL A 65 1.057 -5.583 1.793 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.098 -3.679 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 65 2.173 -3.569 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.972 -1.091 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.367 -1.928 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.707 -1.360 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.740 -2.174 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.654 -2.541 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.159 -3.849 3.124 1.00 0.00 H new ATOM 849 N LEU A 66 1.614 -4.732 -1.795 1.00 0.00 N ATOM 850 CA LEU A 66 2.616 -5.248 -2.674 1.00 0.00 C ATOM 851 C LEU A 66 3.348 -4.217 -3.462 1.00 0.00 C ATOM 852 O LEU A 66 4.557 -4.358 -3.648 1.00 0.00 O ATOM 853 CB LEU A 66 2.149 -6.426 -3.547 1.00 0.00 C ATOM 854 CG LEU A 66 0.897 -6.246 -4.421 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.963 -7.200 -5.626 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.389 -6.548 -3.633 1.00 0.00 C ATOM 0 H LEU A 66 0.723 -4.530 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 66 3.352 -5.660 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.975 -6.698 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.973 -7.276 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 66 0.873 -5.208 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.074 -7.069 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.851 -6.978 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.011 -8.230 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.254 -6.411 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.363 -7.577 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.462 -5.870 -2.782 1.00 0.00 H new ATOM 868 N ALA A 67 2.695 -3.147 -3.949 1.00 0.00 N ATOM 869 CA ALA A 67 3.398 -2.202 -4.760 1.00 0.00 C ATOM 870 C ALA A 67 2.883 -0.809 -4.631 1.00 0.00 C ATOM 871 O ALA A 67 1.692 -0.586 -4.421 1.00 0.00 O ATOM 872 CB ALA A 67 3.375 -2.615 -6.241 1.00 0.00 C ATOM 0 H ALA A 67 1.709 -2.939 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 67 4.422 -2.208 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.917 -1.878 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.848 -3.590 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.343 -2.670 -6.587 1.00 0.00 H new ATOM 878 N VAL A 68 3.773 0.197 -4.709 1.00 0.00 N ATOM 879 CA VAL A 68 3.429 1.553 -4.418 1.00 0.00 C ATOM 880 C VAL A 68 3.895 2.486 -5.483 1.00 0.00 C ATOM 881 O VAL A 68 5.099 2.628 -5.696 1.00 0.00 O ATOM 882 CB VAL A 68 4.010 1.997 -3.109 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.501 3.407 -2.770 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.613 1.011 -1.996 1.00 0.00 C ATOM 0 H VAL A 68 4.748 0.066 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 68 2.341 1.584 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 68 5.097 2.019 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.925 3.728 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.803 4.101 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.414 3.393 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.039 1.341 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.527 0.975 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.991 0.018 -2.238 1.00 0.00 H new ATOM 894 N ASN A 69 2.979 3.167 -6.195 1.00 0.00 N ATOM 895 CA ASN A 69 3.252 3.935 -7.370 1.00 0.00 C ATOM 896 C ASN A 69 3.931 3.161 -8.446 1.00 0.00 C ATOM 897 O ASN A 69 4.768 3.678 -9.185 1.00 0.00 O ATOM 898 CB ASN A 69 3.989 5.257 -7.095 1.00 0.00 C ATOM 899 CG ASN A 69 3.134 6.171 -6.230 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.972 5.887 -5.942 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.695 7.334 -5.805 1.00 0.00 N ATOM 0 H ASN A 69 1.993 3.182 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 69 2.261 4.198 -7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.937 5.055 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.224 5.752 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.151 7.986 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.660 7.555 -6.052 1.00 0.00 H new ATOM 908 N GLY A 70 3.602 1.862 -8.559 1.00 0.00 N ATOM 909 CA GLY A 70 4.218 0.963 -9.485 1.00 0.00 C ATOM 910 C GLY A 70 5.566 0.498 -9.054 1.00 0.00 C ATOM 911 O GLY A 70 6.399 0.140 -9.886 1.00 0.00 O ATOM 0 H GLY A 70 2.882 1.422 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.571 0.097 -9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.305 1.455 -10.454 1.00 0.00 H new ATOM 915 N VAL A 71 5.832 0.493 -7.735 1.00 0.00 N ATOM 916 CA VAL A 71 7.098 0.130 -7.176 1.00 0.00 C ATOM 917 C VAL A 71 6.871 -0.980 -6.209 1.00 0.00 C ATOM 918 O VAL A 71 6.404 -0.786 -5.088 1.00 0.00 O ATOM 919 CB VAL A 71 7.852 1.249 -6.520 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.253 0.776 -6.100 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.981 2.426 -7.503 1.00 0.00 C ATOM 0 H VAL A 71 5.140 0.751 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 71 7.736 -0.173 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 71 7.307 1.568 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.788 1.599 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.162 -0.051 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.804 0.445 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.529 3.239 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.518 2.099 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.988 2.774 -7.786 1.00 0.00 H new ATOM 931 N SER A 72 7.154 -2.219 -6.651 1.00 0.00 N ATOM 932 CA SER A 72 6.928 -3.424 -5.915 1.00 0.00 C ATOM 933 C SER A 72 7.916 -3.693 -4.833 1.00 0.00 C ATOM 934 O SER A 72 9.129 -3.557 -4.988 1.00 0.00 O ATOM 935 CB SER A 72 6.840 -4.656 -6.833 1.00 0.00 C ATOM 936 OG SER A 72 5.760 -4.501 -7.741 1.00 0.00 O ATOM 0 H SER A 72 7.562 -2.388 -7.570 1.00 0.00 H new ATOM 0 HA SER A 72 5.967 -3.250 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.774 -4.780 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.699 -5.557 -6.236 1.00 0.00 H new ATOM 0 HG SER A 72 5.708 -5.286 -8.325 1.00 0.00 H new ATOM 942 N LEU A 73 7.414 -4.121 -3.661 1.00 0.00 N ATOM 943 CA LEU A 73 8.154 -4.317 -2.453 1.00 0.00 C ATOM 944 C LEU A 73 8.822 -5.645 -2.355 1.00 0.00 C ATOM 945 O LEU A 73 8.929 -6.242 -1.284 1.00 0.00 O ATOM 946 CB LEU A 73 7.200 -4.119 -1.262 1.00 0.00 C ATOM 947 CG LEU A 73 6.769 -2.664 -1.011 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.498 -2.602 -0.146 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.866 -1.865 -0.289 1.00 0.00 C ATOM 0 H LEU A 73 6.425 -4.345 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 73 8.961 -3.584 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.308 -4.724 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.682 -4.500 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 73 6.580 -2.228 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.218 -1.561 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.686 -3.122 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.689 -3.079 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.525 -0.842 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.082 -2.330 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.770 -1.855 -0.898 1.00 0.00 H new ATOM 961 N GLU A 74 9.369 -6.173 -3.465 1.00 0.00 N ATOM 962 CA GLU A 74 10.115 -7.393 -3.456 1.00 0.00 C ATOM 963 C GLU A 74 11.526 -7.145 -3.047 1.00 0.00 C ATOM 964 O GLU A 74 12.311 -6.506 -3.746 1.00 0.00 O ATOM 965 CB GLU A 74 10.098 -8.156 -4.790 1.00 0.00 C ATOM 966 CG GLU A 74 8.720 -8.708 -5.160 1.00 0.00 C ATOM 967 CD GLU A 74 8.763 -9.852 -6.162 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.858 -10.246 -6.645 1.00 0.00 O ATOM 969 OE2 GLU A 74 7.677 -10.419 -6.457 1.00 0.00 O ATOM 0 H GLU A 74 9.291 -5.744 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 74 9.612 -8.029 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.440 -7.492 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.809 -8.981 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.221 -9.051 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.114 -7.900 -5.571 1.00 0.00 H new ATOM 976 N GLY A 75 11.903 -7.631 -1.850 1.00 0.00 N ATOM 977 CA GLY A 75 13.190 -7.390 -1.275 1.00 0.00 C ATOM 978 C GLY A 75 13.239 -6.149 -0.452 1.00 0.00 C ATOM 979 O GLY A 75 14.310 -5.732 -0.017 1.00 0.00 O ATOM 0 H GLY A 75 11.296 -8.207 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.469 -8.242 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.930 -7.320 -2.072 1.00 0.00 H new ATOM 983 N ALA A 76 12.079 -5.518 -0.190 1.00 0.00 N ATOM 984 CA ALA A 76 11.962 -4.428 0.729 1.00 0.00 C ATOM 985 C ALA A 76 11.566 -4.933 2.073 1.00 0.00 C ATOM 986 O ALA A 76 10.999 -6.012 2.243 1.00 0.00 O ATOM 987 CB ALA A 76 11.003 -3.341 0.214 1.00 0.00 C ATOM 0 H ALA A 76 11.196 -5.774 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 76 12.938 -3.951 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.944 -2.533 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.373 -2.949 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.012 -3.770 0.067 1.00 0.00 H new ATOM 993 N THR A 77 11.913 -4.160 3.116 1.00 0.00 N ATOM 994 CA THR A 77 11.782 -4.493 4.500 1.00 0.00 C ATOM 995 C THR A 77 10.659 -3.702 5.078 1.00 0.00 C ATOM 996 O THR A 77 9.950 -2.986 4.373 1.00 0.00 O ATOM 997 CB THR A 77 13.017 -4.128 5.270 1.00 0.00 C ATOM 998 OG1 THR A 77 13.335 -2.748 5.163 1.00 0.00 O ATOM 999 CG2 THR A 77 14.242 -4.871 4.709 1.00 0.00 C ATOM 0 H THR A 77 12.315 -3.233 2.981 1.00 0.00 H new ATOM 0 HA THR A 77 11.610 -5.567 4.572 1.00 0.00 H new ATOM 0 HB THR A 77 12.803 -4.395 6.305 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.210 -2.646 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.128 -4.594 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.082 -5.946 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.385 -4.600 3.663 1.00 0.00 H new ATOM 1007 N HIS A 78 10.502 -3.724 6.413 1.00 0.00 N ATOM 1008 CA HIS A 78 9.744 -2.757 7.146 1.00 0.00 C ATOM 1009 C HIS A 78 10.223 -1.362 6.933 1.00 0.00 C ATOM 1010 O HIS A 78 9.425 -0.474 6.633 1.00 0.00 O ATOM 1011 CB HIS A 78 9.750 -3.074 8.652 1.00 0.00 C ATOM 1012 CG HIS A 78 9.294 -1.987 9.580 1.00 0.00 C ATOM 1013 ND1 HIS A 78 9.720 -1.977 10.882 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.603 -0.831 9.394 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.339 -0.851 11.456 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.654 -0.143 10.577 1.00 0.00 N ATOM 0 H HIS A 78 10.919 -4.442 7.005 1.00 0.00 H new ATOM 0 HA HIS A 78 8.726 -2.822 6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.118 -3.947 8.817 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.764 -3.357 8.934 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.248 -2.722 11.336 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.109 -0.516 8.487 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.552 -0.558 12.474 1.00 0.00 H new ATOM 1025 N LYS A 79 11.534 -1.098 7.071 1.00 0.00 N ATOM 1026 CA LYS A 79 12.085 0.216 6.966 1.00 0.00 C ATOM 1027 C LYS A 79 12.038 0.737 5.570 1.00 0.00 C ATOM 1028 O LYS A 79 11.616 1.863 5.314 1.00 0.00 O ATOM 1029 CB LYS A 79 13.514 0.256 7.531 1.00 0.00 C ATOM 1030 CG LYS A 79 13.880 1.576 8.212 1.00 0.00 C ATOM 1031 CD LYS A 79 13.268 1.699 9.609 1.00 0.00 C ATOM 1032 CE LYS A 79 13.353 3.082 10.258 1.00 0.00 C ATOM 1033 NZ LYS A 79 14.752 3.492 10.516 1.00 0.00 N ATOM 0 H LYS A 79 12.230 -1.819 7.261 1.00 0.00 H new ATOM 0 HA LYS A 79 11.462 0.877 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.632 -0.556 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.219 0.070 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.965 1.656 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.540 2.407 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.219 1.410 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.760 0.981 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.874 3.816 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.799 3.076 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.762 4.434 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.202 2.807 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.276 3.524 9.618 1.00 0.00 H new ATOM 1047 N GLN A 80 12.394 -0.103 4.581 1.00 0.00 N ATOM 1048 CA GLN A 80 12.299 0.235 3.195 1.00 0.00 C ATOM 1049 C GLN A 80 10.892 0.390 2.730 1.00 0.00 C ATOM 1050 O GLN A 80 10.621 1.245 1.889 1.00 0.00 O ATOM 1051 CB GLN A 80 13.050 -0.769 2.304 1.00 0.00 C ATOM 1052 CG GLN A 80 14.554 -0.522 2.185 1.00 0.00 C ATOM 1053 CD GLN A 80 15.288 -0.529 3.518 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.557 -1.578 4.102 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.603 0.682 4.050 1.00 0.00 N ATOM 0 H GLN A 80 12.757 -1.041 4.750 1.00 0.00 H new ATOM 0 HA GLN A 80 12.782 1.208 3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.891 -1.773 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.612 -0.746 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.987 -1.285 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.717 0.439 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.369 1.537 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.073 0.735 4.954 1.00 0.00 H new ATOM 1064 N ALA A 81 9.915 -0.377 3.245 1.00 0.00 N ATOM 1065 CA ALA A 81 8.536 -0.146 2.942 1.00 0.00 C ATOM 1066 C ALA A 81 8.028 1.191 3.359 1.00 0.00 C ATOM 1067 O ALA A 81 7.296 1.835 2.609 1.00 0.00 O ATOM 1068 CB ALA A 81 7.637 -1.223 3.572 1.00 0.00 C ATOM 0 H ALA A 81 10.081 -1.162 3.875 1.00 0.00 H new ATOM 0 HA ALA A 81 8.490 -0.189 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.596 -1.019 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.917 -2.203 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.760 -1.212 4.655 1.00 0.00 H new ATOM 1074 N VAL A 82 8.450 1.698 4.531 1.00 0.00 N ATOM 1075 CA VAL A 82 8.168 3.030 4.968 1.00 0.00 C ATOM 1076 C VAL A 82 8.656 4.049 3.997 1.00 0.00 C ATOM 1077 O VAL A 82 7.900 4.915 3.559 1.00 0.00 O ATOM 1078 CB VAL A 82 8.730 3.321 6.328 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.598 4.796 6.743 1.00 0.00 C ATOM 1080 CG2 VAL A 82 7.993 2.458 7.366 1.00 0.00 C ATOM 0 H VAL A 82 9.007 1.162 5.197 1.00 0.00 H new ATOM 0 HA VAL A 82 7.082 3.095 5.029 1.00 0.00 H new ATOM 0 HB VAL A 82 9.794 3.090 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.025 4.934 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.131 5.424 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.545 5.077 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.394 2.662 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.930 2.696 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.133 1.404 7.128 1.00 0.00 H new ATOM 1090 N GLU A 83 9.917 3.963 3.539 1.00 0.00 N ATOM 1091 CA GLU A 83 10.446 4.836 2.537 1.00 0.00 C ATOM 1092 C GLU A 83 9.759 4.765 1.217 1.00 0.00 C ATOM 1093 O GLU A 83 9.654 5.746 0.482 1.00 0.00 O ATOM 1094 CB GLU A 83 11.945 4.588 2.302 1.00 0.00 C ATOM 1095 CG GLU A 83 12.775 4.658 3.586 1.00 0.00 C ATOM 1096 CD GLU A 83 14.271 4.740 3.317 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.736 5.826 2.878 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.003 3.754 3.599 1.00 0.00 O ATOM 0 H GLU A 83 10.586 3.269 3.873 1.00 0.00 H new ATOM 0 HA GLU A 83 10.271 5.830 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.077 3.608 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.322 5.325 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.466 5.528 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.568 3.779 4.196 1.00 0.00 H new ATOM 1105 N THR A 84 9.231 3.581 0.856 1.00 0.00 N ATOM 1106 CA THR A 84 8.552 3.289 -0.368 1.00 0.00 C ATOM 1107 C THR A 84 7.174 3.853 -0.410 1.00 0.00 C ATOM 1108 O THR A 84 6.694 4.246 -1.473 1.00 0.00 O ATOM 1109 CB THR A 84 8.579 1.812 -0.627 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.928 1.368 -0.668 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.002 1.373 -1.983 1.00 0.00 C ATOM 0 H THR A 84 9.284 2.767 1.468 1.00 0.00 H new ATOM 0 HA THR A 84 9.086 3.786 -1.178 1.00 0.00 H new ATOM 0 HB THR A 84 7.974 1.391 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.175 0.991 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.068 0.289 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.958 1.680 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.570 1.839 -2.788 1.00 0.00 H new ATOM 1119 N LEU A 85 6.523 4.026 0.754 1.00 0.00 N ATOM 1120 CA LEU A 85 5.248 4.649 0.926 1.00 0.00 C ATOM 1121 C LEU A 85 5.347 6.118 1.157 1.00 0.00 C ATOM 1122 O LEU A 85 4.593 6.904 0.584 1.00 0.00 O ATOM 1123 CB LEU A 85 4.555 4.043 2.159 1.00 0.00 C ATOM 1124 CG LEU A 85 4.101 2.584 1.982 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.879 1.912 3.348 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.810 2.484 1.153 1.00 0.00 C ATOM 0 H LEU A 85 6.918 3.707 1.639 1.00 0.00 H new ATOM 0 HA LEU A 85 4.689 4.477 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.237 4.098 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.687 4.653 2.409 1.00 0.00 H new ATOM 0 HG LEU A 85 4.897 2.068 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.558 0.881 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.810 1.924 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.111 2.454 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.523 1.437 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.012 3.032 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.978 2.912 0.165 1.00 0.00 H new ATOM 1138 N ARG A 86 6.285 6.577 2.005 1.00 0.00 N ATOM 1139 CA ARG A 86 6.372 7.943 2.418 1.00 0.00 C ATOM 1140 C ARG A 86 7.112 8.845 1.490 1.00 0.00 C ATOM 1141 O ARG A 86 6.716 9.999 1.332 1.00 0.00 O ATOM 1142 CB ARG A 86 6.740 8.019 3.909 1.00 0.00 C ATOM 1143 CG ARG A 86 7.651 9.148 4.394 1.00 0.00 C ATOM 1144 CD ARG A 86 9.115 8.802 4.112 1.00 0.00 C ATOM 1145 NE ARG A 86 9.885 10.075 4.027 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.157 10.096 3.532 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.907 8.956 3.480 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.678 11.259 3.043 1.00 0.00 N ATOM 0 H ARG A 86 7.004 5.980 2.415 1.00 0.00 H new ATOM 0 HA ARG A 86 5.380 8.386 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.810 8.082 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.214 7.075 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.387 10.079 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.507 9.308 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.515 8.168 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.201 8.243 3.180 1.00 0.00 H new ATOM 0 HE ARG A 86 9.455 10.944 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.518 8.074 3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.856 8.986 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.117 12.111 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.628 11.276 2.673 1.00 0.00 H new ATOM 1162 N ASN A 87 8.170 8.406 0.787 1.00 0.00 N ATOM 1163 CA ASN A 87 8.966 9.244 -0.055 1.00 0.00 C ATOM 1164 C ASN A 87 8.402 9.364 -1.430 1.00 0.00 C ATOM 1165 O ASN A 87 9.104 9.443 -2.436 1.00 0.00 O ATOM 1166 CB ASN A 87 10.414 8.725 -0.076 1.00 0.00 C ATOM 1167 CG ASN A 87 11.410 9.724 -0.648 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.494 10.873 -0.217 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.197 9.280 -1.665 1.00 0.00 N ATOM 0 H ASN A 87 8.482 7.435 0.805 1.00 0.00 H new ATOM 0 HA ASN A 87 8.958 10.252 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.714 8.467 0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.454 7.808 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.880 9.906 -2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.104 8.321 -2.001 1.00 0.00 H new ATOM 1176 N THR A 88 7.060 9.376 -1.529 1.00 0.00 N ATOM 1177 CA THR A 88 6.263 9.415 -2.714 1.00 0.00 C ATOM 1178 C THR A 88 5.868 10.794 -3.119 1.00 0.00 C ATOM 1179 O THR A 88 5.920 11.737 -2.333 1.00 0.00 O ATOM 1180 CB THR A 88 5.017 8.615 -2.475 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.429 8.984 -1.237 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.431 7.139 -2.357 1.00 0.00 C ATOM 0 H THR A 88 6.478 9.356 -0.692 1.00 0.00 H new ATOM 0 HA THR A 88 6.869 9.004 -3.522 1.00 0.00 H new ATOM 0 HB THR A 88 4.311 8.787 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.580 8.274 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.547 6.526 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.916 6.822 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.125 7.021 -1.524 1.00 0.00 H new ATOM 1190 N GLY A 89 5.427 10.951 -4.381 1.00 0.00 N ATOM 1191 CA GLY A 89 5.066 12.201 -4.976 1.00 0.00 C ATOM 1192 C GLY A 89 3.665 12.629 -4.700 1.00 0.00 C ATOM 1193 O GLY A 89 2.865 12.822 -5.614 1.00 0.00 O ATOM 0 H GLY A 89 5.317 10.163 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.747 12.972 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.206 12.131 -6.055 1.00 0.00 H new ATOM 1197 N GLN A 90 3.342 12.791 -3.406 1.00 0.00 N ATOM 1198 CA GLN A 90 2.064 13.085 -2.835 1.00 0.00 C ATOM 1199 C GLN A 90 1.063 11.988 -2.955 1.00 0.00 C ATOM 1200 O GLN A 90 0.508 11.537 -1.954 1.00 0.00 O ATOM 1201 CB GLN A 90 1.534 14.470 -3.246 1.00 0.00 C ATOM 1202 CG GLN A 90 0.356 14.945 -2.393 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.025 16.380 -2.728 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.077 16.778 -3.891 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.320 17.198 -1.683 1.00 0.00 N ATOM 0 H GLN A 90 4.056 12.706 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 90 2.241 13.145 -1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.343 15.197 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.227 14.438 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.501 14.291 -2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.616 14.872 -1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.269 16.844 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.592 18.166 -1.854 1.00 0.00 H new ATOM 1214 N VAL A 91 0.829 11.487 -4.180 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.015 10.368 -4.465 1.00 0.00 C ATOM 1216 C VAL A 91 0.666 9.090 -4.111 1.00 0.00 C ATOM 1217 O VAL A 91 1.849 8.881 -4.373 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.486 10.333 -5.888 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.249 9.045 -6.241 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.403 11.550 -6.093 1.00 0.00 C ATOM 0 H VAL A 91 1.252 11.885 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.903 10.487 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 91 0.384 10.358 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.563 9.082 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.599 8.184 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.127 8.955 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.768 11.561 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.248 11.488 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.843 12.464 -5.897 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.097 8.190 -3.466 1.00 0.00 N ATOM 1231 CA VAL A 92 0.253 6.838 -3.159 1.00 0.00 C ATOM 1232 C VAL A 92 -0.792 5.965 -3.764 1.00 0.00 C ATOM 1233 O VAL A 92 -1.902 5.816 -3.255 1.00 0.00 O ATOM 1234 CB VAL A 92 0.361 6.639 -1.676 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.750 5.196 -1.314 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.483 7.568 -1.181 1.00 0.00 C ATOM 0 H VAL A 92 -1.032 8.428 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 92 1.230 6.584 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.605 6.853 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.817 5.098 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.006 4.509 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.715 4.957 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.598 7.457 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.418 7.304 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.229 8.602 -1.414 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.466 5.360 -4.921 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.193 4.343 -5.613 1.00 0.00 C ATOM 1248 C HIS A 93 -0.869 3.025 -4.997 1.00 0.00 C ATOM 1249 O HIS A 93 0.160 2.417 -5.286 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.826 4.380 -7.107 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.136 3.192 -7.967 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.139 2.727 -8.800 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.289 2.505 -8.186 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.697 1.768 -9.514 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.004 1.589 -9.177 1.00 0.00 N ATOM 0 H HIS A 93 0.390 5.610 -5.417 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.267 4.508 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.327 5.242 -7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.246 4.564 -7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.235 2.648 -7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.181 1.196 -10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.648 0.909 -9.580 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.741 2.549 -4.091 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.544 1.323 -3.379 1.00 0.00 C ATOM 1265 C LEU A 94 -2.050 0.155 -4.154 1.00 0.00 C ATOM 1266 O LEU A 94 -3.251 -0.028 -4.344 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.199 1.265 -1.989 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.644 2.300 -0.996 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.675 2.644 0.093 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.292 1.830 -0.432 1.00 0.00 C ATOM 0 H LEU A 94 -2.607 3.029 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.463 1.281 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.273 1.419 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.060 0.267 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.456 3.234 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.250 3.378 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.571 3.057 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.936 1.741 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.088 2.573 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.424 0.879 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.419 1.705 -1.249 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.118 -0.714 -4.583 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.429 -2.038 -5.027 1.00 0.00 C ATOM 1284 C LEU A 95 -1.498 -2.906 -3.817 1.00 0.00 C ATOM 1285 O LEU A 95 -0.477 -3.249 -3.224 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.352 -2.561 -5.993 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.880 -3.204 -7.287 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.215 -4.124 -7.854 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.208 -3.964 -7.136 1.00 0.00 C ATOM 0 H LEU A 95 -0.123 -0.491 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.377 -2.041 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.304 -1.733 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.259 -3.294 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.111 -2.391 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.141 -4.590 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.109 -3.537 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.454 -4.898 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.500 -4.382 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.086 -4.770 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.982 -3.279 -6.788 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.726 -3.232 -3.377 1.00 0.00 N ATOM 1302 CA LEU A 96 -2.998 -4.051 -2.236 1.00 0.00 C ATOM 1303 C LEU A 96 -3.532 -5.354 -2.720 1.00 0.00 C ATOM 1304 O LEU A 96 -4.135 -5.421 -3.790 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.038 -3.429 -1.290 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.577 -2.123 -0.621 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.717 -1.096 -0.512 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -2.985 -2.405 0.769 1.00 0.00 C ATOM 0 H LEU A 96 -3.574 -2.907 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.068 -4.163 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.952 -3.234 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.287 -4.153 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.804 -1.693 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.346 -0.190 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.086 -0.855 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.528 -1.515 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.665 -1.468 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.741 -2.875 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.128 -3.072 0.671 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.340 -6.439 -1.947 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.952 -7.707 -2.193 1.00 0.00 C ATOM 1322 C GLU A 97 -4.643 -8.140 -0.945 1.00 0.00 C ATOM 1323 O GLU A 97 -4.052 -8.236 0.129 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.940 -8.807 -2.558 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.537 -10.190 -2.832 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.443 -11.228 -3.034 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.611 -11.421 -2.107 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.407 -11.868 -4.119 1.00 0.00 O ATOM 0 H GLU A 97 -2.738 -6.432 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.631 -7.578 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.387 -8.488 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.219 -8.897 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.174 -10.486 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.170 -10.147 -3.718 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.945 -8.447 -1.085 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.809 -8.847 -0.019 1.00 0.00 C ATOM 1337 C LYS A 98 -6.415 -10.162 0.560 1.00 0.00 C ATOM 1338 O LYS A 98 -6.330 -11.168 -0.142 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.268 -8.910 -0.503 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.309 -9.055 0.608 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.456 -7.762 1.413 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.781 -7.966 2.894 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.523 -6.709 3.633 1.00 0.00 N ATOM 0 H LYS A 98 -6.418 -8.414 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.716 -8.096 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.487 -8.005 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.372 -9.750 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.271 -9.325 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.021 -9.868 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.530 -7.193 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.242 -7.156 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.823 -8.262 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.173 -8.773 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.261 -6.931 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.746 -6.191 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.381 -6.121 3.629 1.00 0.00 H new ATOM 1434 N LEU B 206 9.150 -2.757 15.006 1.00 0.00 N ATOM 1435 CA LEU B 206 8.136 -2.961 14.018 1.00 0.00 C ATOM 1436 C LEU B 206 7.233 -1.777 13.991 1.00 0.00 C ATOM 1437 O LEU B 206 7.250 -0.970 14.919 1.00 0.00 O ATOM 1438 CB LEU B 206 7.302 -4.202 14.378 1.00 0.00 C ATOM 1439 CG LEU B 206 6.397 -4.795 13.285 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.240 -5.313 12.107 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.629 -5.948 13.954 1.00 0.00 C ATOM 0 HA LEU B 206 8.608 -3.101 13.045 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.987 -4.983 14.707 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.674 -3.948 15.232 1.00 0.00 H new ATOM 0 HG LEU B 206 5.716 -4.047 12.879 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.582 -5.729 11.344 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.815 -4.490 11.682 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.921 -6.087 12.460 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.965 -6.413 13.226 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.337 -6.689 14.325 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.041 -5.559 14.785 1.00 0.00 H new ATOM 1453 N VAL B 207 6.401 -1.616 12.946 1.00 0.00 N ATOM 1454 CA VAL B 207 5.288 -0.717 12.955 1.00 0.00 C ATOM 1455 C VAL B 207 5.632 0.731 12.881 1.00 0.00 C ATOM 1456 O VAL B 207 6.276 1.343 13.731 1.00 0.00 O ATOM 1457 CB VAL B 207 4.212 -1.096 13.928 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.370 0.098 14.406 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.332 -2.194 13.307 1.00 0.00 C ATOM 0 H VAL B 207 6.505 -2.126 12.069 1.00 0.00 H new ATOM 0 HA VAL B 207 4.812 -0.865 11.986 1.00 0.00 H new ATOM 0 HB VAL B 207 4.699 -1.478 14.825 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.611 -0.249 15.107 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.016 0.824 14.900 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.885 0.567 13.550 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.548 -2.473 14.011 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.879 -1.821 12.388 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.945 -3.067 13.081 1.00 0.00 H new ATOM 1469 N THR B 208 5.198 1.358 11.772 1.00 0.00 N ATOM 1470 CA THR B 208 5.403 2.753 11.537 1.00 0.00 C ATOM 1471 C THR B 208 4.132 3.191 10.897 1.00 0.00 C ATOM 1472 O THR B 208 3.750 2.603 9.886 1.00 0.00 O ATOM 1473 CB THR B 208 6.527 3.060 10.591 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.745 2.494 11.050 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.757 4.575 10.454 1.00 0.00 C ATOM 0 H THR B 208 4.694 0.884 11.023 1.00 0.00 H new ATOM 0 HA THR B 208 5.662 3.251 12.471 1.00 0.00 H new ATOM 0 HB THR B 208 6.239 2.636 9.629 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.878 1.619 10.629 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.578 4.757 9.761 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.851 5.048 10.075 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.005 4.995 11.429 1.00 0.00 H new ATOM 1483 N SER B 209 3.433 4.189 11.466 1.00 0.00 N ATOM 1484 CA SER B 209 2.323 4.835 10.837 1.00 0.00 C ATOM 1485 C SER B 209 2.844 5.784 9.813 1.00 0.00 C ATOM 1486 O SER B 209 3.679 6.634 10.120 1.00 0.00 O ATOM 1487 CB SER B 209 1.367 5.582 11.781 1.00 0.00 C ATOM 1488 OG SER B 209 2.043 6.475 12.653 1.00 0.00 O ATOM 0 H SER B 209 3.647 4.558 12.393 1.00 0.00 H new ATOM 0 HA SER B 209 1.723 4.036 10.400 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.641 6.139 11.189 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.808 4.857 12.373 1.00 0.00 H new ATOM 0 HG SER B 209 2.833 6.839 12.201 1.00 0.00 H new ATOM 1494 N VAL B 210 2.393 5.623 8.557 1.00 0.00 N ATOM 1495 CA VAL B 210 3.010 6.170 7.388 1.00 0.00 C ATOM 1496 C VAL B 210 1.863 6.258 6.391 1.00 0.00 C ATOM 1497 O VAL B 210 0.768 5.694 6.655 1.00 0.00 O ATOM 1498 CB VAL B 210 4.147 5.309 6.926 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.676 3.923 6.455 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.957 6.027 5.834 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.015 6.981 5.371 1.00 0.00 O ATOM 0 H VAL B 210 1.554 5.083 8.345 1.00 0.00 H new ATOM 0 HA VAL B 210 3.472 7.144 7.546 1.00 0.00 H new ATOM 0 HB VAL B 210 4.798 5.140 7.784 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.536 3.337 6.130 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.177 3.410 7.277 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.981 4.038 5.623 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.778 5.388 5.510 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.310 6.244 4.984 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.358 6.959 6.232 1.00 0.00 H new