USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 MET CE :methyl 160:sc= -0.125 (180deg=-0.59) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0333 (180deg=-0.401) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 16 HIS : no HE2:sc= -0.344 K(o=-0.34,f=-1.6) USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.964 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -2 (180deg=-4.14!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 34 GLN : amide:sc= -0.908 K(o=-0.91,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 102:sc= 0.19 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0553 USER MOD Single : A 51 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-3.8!) USER MOD Single : A 54 GLN : amide:sc= -0.0485 K(o=-0.048,f=-0.65) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 63 THR OG1 : rot -18:sc= 0.531 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0136) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 70 GLN : amide:sc= -2.66 K(o=-2.7,f=-0.99) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.45) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.73) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= -2.13! (180deg=-4.01!) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0212) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0506 (180deg=-0.428) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0547 (180deg=-0.41) USER MOD Single : A 93 MET CE :methyl 163:sc= -0.0868 (180deg=-0.509) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.92 K(o=-0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.270 -1.527 14.451 1.00 0.00 N ATOM 2 CA MET A 1 -7.936 -0.877 14.379 1.00 0.00 C ATOM 3 C MET A 1 -7.637 -0.412 12.958 1.00 0.00 C ATOM 4 O MET A 1 -7.446 -1.226 12.054 1.00 0.00 O ATOM 5 CB MET A 1 -6.850 -1.851 14.845 1.00 0.00 C ATOM 6 CG MET A 1 -7.086 -2.400 16.244 1.00 0.00 C ATOM 7 SD MET A 1 -5.819 -3.580 16.748 1.00 0.00 S ATOM 8 CE MET A 1 -4.362 -2.539 16.746 1.00 0.00 C ATOM 0 H1 MET A 1 -9.572 -1.591 15.444 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.960 -0.963 13.915 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.213 -2.483 14.045 1.00 0.00 H new ATOM 0 HA MET A 1 -7.944 -0.007 15.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.793 -2.682 14.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.885 -1.345 14.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.112 -1.574 16.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.062 -2.883 16.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.586 -2.999 17.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.999 -2.424 15.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.614 -1.560 17.154 1.00 0.00 H new ATOM 20 N GLU A 2 -7.599 0.904 12.766 1.00 0.00 N ATOM 21 CA GLU A 2 -7.327 1.478 11.453 1.00 0.00 C ATOM 22 C GLU A 2 -5.903 1.168 11.001 1.00 0.00 C ATOM 23 O GLU A 2 -5.647 0.992 9.811 1.00 0.00 O ATOM 24 CB GLU A 2 -7.545 2.993 11.475 1.00 0.00 C ATOM 25 CG GLU A 2 -6.700 3.716 12.511 1.00 0.00 C ATOM 26 CD GLU A 2 -6.924 5.215 12.503 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.860 5.679 13.187 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.162 5.927 11.813 1.00 0.00 O ATOM 0 H GLU A 2 -7.753 1.592 13.503 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.021 1.027 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.320 3.398 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.598 3.197 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.931 3.323 13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.646 3.509 12.324 1.00 0.00 H new ATOM 35 N SER A 3 -4.984 1.102 11.958 1.00 0.00 N ATOM 36 CA SER A 3 -3.584 0.820 11.658 1.00 0.00 C ATOM 37 C SER A 3 -3.424 -0.536 10.979 1.00 0.00 C ATOM 38 O SER A 3 -2.460 -0.763 10.248 1.00 0.00 O ATOM 39 CB SER A 3 -2.749 0.861 12.940 1.00 0.00 C ATOM 40 OG SER A 3 -3.186 -0.117 13.867 1.00 0.00 O ATOM 0 H SER A 3 -5.183 1.240 12.949 1.00 0.00 H new ATOM 0 HA SER A 3 -3.229 1.589 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.699 0.694 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.819 1.851 13.391 1.00 0.00 H new ATOM 0 HG SER A 3 -2.635 -0.070 14.676 1.00 0.00 H new ATOM 46 N GLU A 4 -4.373 -1.435 11.223 1.00 0.00 N ATOM 47 CA GLU A 4 -4.331 -2.770 10.637 1.00 0.00 C ATOM 48 C GLU A 4 -4.709 -2.736 9.158 1.00 0.00 C ATOM 49 O GLU A 4 -4.042 -3.345 8.323 1.00 0.00 O ATOM 50 CB GLU A 4 -5.272 -3.713 11.393 1.00 0.00 C ATOM 51 CG GLU A 4 -5.253 -5.142 10.873 1.00 0.00 C ATOM 52 CD GLU A 4 -6.175 -6.059 11.652 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.370 -6.142 11.295 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.703 -6.694 12.619 1.00 0.00 O ATOM 0 H GLU A 4 -5.180 -1.263 11.822 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.309 -3.139 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.998 -3.716 12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.289 -3.326 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.545 -5.146 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.235 -5.529 10.922 1.00 0.00 H new ATOM 61 N TYR A 5 -5.779 -2.016 8.842 1.00 0.00 N ATOM 62 CA TYR A 5 -6.253 -1.907 7.466 1.00 0.00 C ATOM 63 C TYR A 5 -5.183 -1.307 6.555 1.00 0.00 C ATOM 64 O TYR A 5 -5.131 -1.607 5.365 1.00 0.00 O ATOM 65 CB TYR A 5 -7.522 -1.054 7.416 1.00 0.00 C ATOM 66 CG TYR A 5 -8.051 -0.813 6.017 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.587 -1.853 5.267 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.015 0.455 5.451 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.074 -1.636 3.992 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.500 0.680 4.176 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.027 -0.368 3.451 1.00 0.00 C ATOM 72 OH TYR A 5 -9.512 -0.146 2.182 1.00 0.00 O ATOM 0 H TYR A 5 -6.336 -1.498 9.521 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.477 -2.911 7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.298 -1.541 8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.319 -0.092 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.624 -2.847 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.602 1.278 6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.489 -2.454 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.466 1.672 3.750 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.405 0.801 1.952 1.00 0.00 H new ATOM 82 N ARG A 6 -4.334 -0.459 7.122 1.00 0.00 N ATOM 83 CA ARG A 6 -3.274 0.190 6.357 1.00 0.00 C ATOM 84 C ARG A 6 -2.048 -0.710 6.204 1.00 0.00 C ATOM 85 O ARG A 6 -1.612 -1.000 5.091 1.00 0.00 O ATOM 86 CB ARG A 6 -2.874 1.501 7.037 1.00 0.00 C ATOM 87 CG ARG A 6 -4.061 2.380 7.397 1.00 0.00 C ATOM 88 CD ARG A 6 -3.637 3.577 8.230 1.00 0.00 C ATOM 89 NE ARG A 6 -2.854 3.181 9.396 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.545 4.005 10.392 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.965 5.262 10.373 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.816 3.571 11.411 1.00 0.00 N ATOM 0 H ARG A 6 -4.358 -0.204 8.109 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.662 0.393 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.311 1.275 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.207 2.056 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.549 2.725 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.795 1.793 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.050 4.258 7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.522 4.124 8.556 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.525 2.217 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.527 5.600 9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.726 5.891 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.492 2.604 11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.579 4.204 12.175 1.00 0.00 H new ATOM 106 N GLU A 7 -1.501 -1.146 7.333 1.00 0.00 N ATOM 107 CA GLU A 7 -0.309 -1.991 7.343 1.00 0.00 C ATOM 108 C GLU A 7 -0.498 -3.280 6.542 1.00 0.00 C ATOM 109 O GLU A 7 0.299 -3.588 5.656 1.00 0.00 O ATOM 110 CB GLU A 7 0.066 -2.337 8.786 1.00 0.00 C ATOM 111 CG GLU A 7 1.284 -3.239 8.904 1.00 0.00 C ATOM 112 CD GLU A 7 1.651 -3.538 10.345 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.052 -4.465 10.930 1.00 0.00 O ATOM 114 OE2 GLU A 7 2.537 -2.845 10.889 1.00 0.00 O ATOM 0 H GLU A 7 -1.866 -0.927 8.260 1.00 0.00 H new ATOM 0 HA GLU A 7 0.492 -1.425 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.255 -1.414 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.783 -2.824 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.090 -4.175 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.131 -2.766 8.408 1.00 0.00 H new ATOM 121 N MET A 8 -1.554 -4.025 6.851 1.00 0.00 N ATOM 122 CA MET A 8 -1.822 -5.296 6.177 1.00 0.00 C ATOM 123 C MET A 8 -2.061 -5.118 4.682 1.00 0.00 C ATOM 124 O MET A 8 -1.449 -5.799 3.862 1.00 0.00 O ATOM 125 CB MET A 8 -3.040 -5.974 6.801 1.00 0.00 C ATOM 126 CG MET A 8 -2.955 -6.114 8.309 1.00 0.00 C ATOM 127 SD MET A 8 -1.608 -7.193 8.832 1.00 0.00 S ATOM 128 CE MET A 8 -1.824 -7.165 10.609 1.00 0.00 C ATOM 0 H MET A 8 -2.240 -3.773 7.563 1.00 0.00 H new ATOM 0 HA MET A 8 -0.936 -5.918 6.305 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.933 -5.402 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.160 -6.963 6.359 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.820 -5.128 8.754 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.898 -6.508 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.063 -7.788 11.078 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.728 -6.141 10.971 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.813 -7.548 10.861 1.00 0.00 H new ATOM 138 N LEU A 9 -2.949 -4.197 4.337 1.00 0.00 N ATOM 139 CA LEU A 9 -3.296 -3.946 2.942 1.00 0.00 C ATOM 140 C LEU A 9 -2.074 -3.575 2.104 1.00 0.00 C ATOM 141 O LEU A 9 -2.008 -3.902 0.918 1.00 0.00 O ATOM 142 CB LEU A 9 -4.347 -2.840 2.865 1.00 0.00 C ATOM 143 CG LEU A 9 -4.926 -2.575 1.471 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.367 -2.103 1.575 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.081 -1.548 0.730 1.00 0.00 C ATOM 0 H LEU A 9 -3.445 -3.608 5.006 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.702 -4.869 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.166 -3.094 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.905 -1.916 3.237 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.908 -3.508 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.763 -1.919 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.966 -2.869 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.407 -1.182 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.506 -1.372 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.068 -0.614 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.063 -1.922 0.625 1.00 0.00 H new ATOM 157 N LEU A 10 -1.110 -2.899 2.717 1.00 0.00 N ATOM 158 CA LEU A 10 0.093 -2.477 2.004 1.00 0.00 C ATOM 159 C LEU A 10 1.116 -3.606 1.874 1.00 0.00 C ATOM 160 O LEU A 10 1.538 -3.940 0.767 1.00 0.00 O ATOM 161 CB LEU A 10 0.731 -1.274 2.703 1.00 0.00 C ATOM 162 CG LEU A 10 0.307 0.097 2.165 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.747 0.264 0.717 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.199 0.284 2.288 1.00 0.00 C ATOM 0 H LEU A 10 -1.135 -2.632 3.701 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.214 -2.194 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.488 -1.320 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.815 -1.359 2.620 1.00 0.00 H new ATOM 0 HG LEU A 10 0.797 0.863 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.437 1.244 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.832 0.181 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.288 -0.512 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.477 1.264 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.710 -0.491 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.490 0.213 3.336 1.00 0.00 H new ATOM 176 N LEU A 11 1.512 -4.188 3.002 1.00 0.00 N ATOM 177 CA LEU A 11 2.504 -5.263 3.001 1.00 0.00 C ATOM 178 C LEU A 11 2.093 -6.420 2.091 1.00 0.00 C ATOM 179 O LEU A 11 2.942 -7.182 1.627 1.00 0.00 O ATOM 180 CB LEU A 11 2.750 -5.767 4.429 1.00 0.00 C ATOM 181 CG LEU A 11 1.534 -6.362 5.143 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.363 -7.834 4.791 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.667 -6.188 6.647 1.00 0.00 C ATOM 0 H LEU A 11 1.164 -3.936 3.927 1.00 0.00 H new ATOM 0 HA LEU A 11 3.432 -4.850 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.535 -6.523 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.129 -4.938 5.027 1.00 0.00 H new ATOM 0 HG LEU A 11 0.646 -5.828 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.492 -8.234 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.222 -7.937 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.252 -8.386 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.795 -6.616 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.567 -6.696 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.735 -5.127 6.886 1.00 0.00 H new ATOM 195 N THR A 12 0.792 -6.552 1.841 1.00 0.00 N ATOM 196 CA THR A 12 0.284 -7.623 0.986 1.00 0.00 C ATOM 197 C THR A 12 0.903 -7.561 -0.410 1.00 0.00 C ATOM 198 O THR A 12 0.947 -8.563 -1.125 1.00 0.00 O ATOM 199 CB THR A 12 -1.253 -7.561 0.859 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.857 -7.634 2.155 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.779 -8.698 -0.007 1.00 0.00 C ATOM 0 H THR A 12 0.073 -5.934 2.216 1.00 0.00 H new ATOM 0 HA THR A 12 0.565 -8.563 1.461 1.00 0.00 H new ATOM 0 HB THR A 12 -1.511 -6.614 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.928 -6.733 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.864 -8.629 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.344 -8.627 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.505 -9.653 0.441 1.00 0.00 H new ATOM 209 N GLY A 13 1.386 -6.382 -0.792 1.00 0.00 N ATOM 210 CA GLY A 13 1.990 -6.219 -2.103 1.00 0.00 C ATOM 211 C GLY A 13 3.503 -6.088 -2.047 1.00 0.00 C ATOM 212 O GLY A 13 4.206 -6.629 -2.900 1.00 0.00 O ATOM 0 H GLY A 13 1.370 -5.538 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.728 -7.074 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.572 -5.334 -2.582 1.00 0.00 H new ATOM 216 N LEU A 14 4.007 -5.370 -1.044 1.00 0.00 N ATOM 217 CA LEU A 14 5.449 -5.175 -0.894 1.00 0.00 C ATOM 218 C LEU A 14 6.178 -6.512 -0.774 1.00 0.00 C ATOM 219 O LEU A 14 7.176 -6.749 -1.452 1.00 0.00 O ATOM 220 CB LEU A 14 5.761 -4.316 0.340 1.00 0.00 C ATOM 221 CG LEU A 14 5.555 -2.803 0.183 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.318 -2.269 -1.021 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.076 -2.472 0.069 1.00 0.00 C ATOM 0 H LEU A 14 3.442 -4.916 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 14 5.799 -4.660 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.138 -4.663 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.798 -4.493 0.627 1.00 0.00 H new ATOM 0 HG LEU A 14 5.949 -2.316 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.154 -1.195 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.383 -2.465 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.964 -2.765 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.952 -1.395 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.656 -2.977 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.558 -2.807 0.968 1.00 0.00 H new ATOM 235 N ASP A 15 5.672 -7.380 0.098 1.00 0.00 N ATOM 236 CA ASP A 15 6.282 -8.688 0.320 1.00 0.00 C ATOM 237 C ASP A 15 5.865 -9.691 -0.755 1.00 0.00 C ATOM 238 O ASP A 15 6.229 -10.866 -0.693 1.00 0.00 O ATOM 239 CB ASP A 15 5.900 -9.214 1.706 1.00 0.00 C ATOM 240 CG ASP A 15 6.652 -10.476 2.079 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.815 -10.366 2.519 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.078 -11.576 1.931 1.00 0.00 O ATOM 0 H ASP A 15 4.841 -7.201 0.662 1.00 0.00 H new ATOM 0 HA ASP A 15 7.364 -8.568 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.100 -8.443 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.829 -9.413 1.732 1.00 0.00 H new ATOM 247 N HIS A 16 5.107 -9.226 -1.745 1.00 0.00 N ATOM 248 CA HIS A 16 4.646 -10.098 -2.824 1.00 0.00 C ATOM 249 C HIS A 16 5.175 -9.636 -4.179 1.00 0.00 C ATOM 250 O HIS A 16 4.589 -9.939 -5.219 1.00 0.00 O ATOM 251 CB HIS A 16 3.118 -10.153 -2.848 1.00 0.00 C ATOM 252 CG HIS A 16 2.544 -11.191 -1.935 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.171 -10.949 -0.632 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.281 -12.504 -2.162 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.704 -12.094 -0.119 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.748 -13.069 -1.007 1.00 0.00 N ATOM 0 H HIS A 16 4.800 -8.256 -1.823 1.00 0.00 H new ATOM 0 HA HIS A 16 5.037 -11.097 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.723 -9.176 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.785 -10.352 -3.867 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.238 -10.056 -0.144 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.457 -13.026 -3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.338 -12.205 0.891 1.00 0.00 H new ATOM 264 N ILE A 17 6.289 -8.911 -4.165 1.00 0.00 N ATOM 265 CA ILE A 17 6.894 -8.418 -5.397 1.00 0.00 C ATOM 266 C ILE A 17 8.409 -8.593 -5.377 1.00 0.00 C ATOM 267 O ILE A 17 9.038 -8.526 -4.320 1.00 0.00 O ATOM 268 CB ILE A 17 6.558 -6.933 -5.634 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.973 -6.093 -4.422 1.00 0.00 C ATOM 270 CG2 ILE A 17 5.073 -6.771 -5.923 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.738 -4.607 -4.597 1.00 0.00 C ATOM 0 H ILE A 17 6.790 -8.652 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 17 6.477 -9.009 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 17 7.117 -6.579 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.422 -6.438 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.031 -6.262 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.847 -5.718 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.811 -7.343 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.495 -7.137 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.056 -4.080 -3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.311 -4.246 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.677 -4.424 -4.768 1.00 0.00 H new ATOM 283 N THR A 18 8.988 -8.820 -6.552 1.00 0.00 N ATOM 284 CA THR A 18 10.430 -9.008 -6.672 1.00 0.00 C ATOM 285 C THR A 18 11.186 -7.747 -6.270 1.00 0.00 C ATOM 286 O THR A 18 10.583 -6.741 -5.896 1.00 0.00 O ATOM 287 CB THR A 18 10.828 -9.399 -8.107 1.00 0.00 C ATOM 288 OG1 THR A 18 10.474 -8.352 -9.017 1.00 0.00 O ATOM 289 CG2 THR A 18 10.145 -10.693 -8.526 1.00 0.00 C ATOM 0 H THR A 18 8.481 -8.878 -7.435 1.00 0.00 H new ATOM 0 HA THR A 18 10.700 -9.819 -5.995 1.00 0.00 H new ATOM 0 HB THR A 18 11.907 -9.552 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.583 -8.668 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.442 -10.948 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.440 -11.495 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.064 -10.563 -8.485 1.00 0.00 H new ATOM 297 N GLU A 19 12.512 -7.808 -6.347 1.00 0.00 N ATOM 298 CA GLU A 19 13.356 -6.674 -5.986 1.00 0.00 C ATOM 299 C GLU A 19 13.210 -5.529 -6.988 1.00 0.00 C ATOM 300 O GLU A 19 13.077 -4.369 -6.599 1.00 0.00 O ATOM 301 CB GLU A 19 14.820 -7.109 -5.905 1.00 0.00 C ATOM 302 CG GLU A 19 15.070 -8.212 -4.889 1.00 0.00 C ATOM 303 CD GLU A 19 14.727 -7.788 -3.473 1.00 0.00 C ATOM 304 OE1 GLU A 19 15.594 -7.181 -2.810 1.00 0.00 O ATOM 305 OE2 GLU A 19 13.593 -8.063 -3.029 1.00 0.00 O ATOM 0 H GLU A 19 13.026 -8.633 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 19 13.031 -6.315 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.144 -7.451 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.434 -6.245 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.478 -9.088 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.118 -8.510 -4.932 1.00 0.00 H new ATOM 312 N GLU A 20 13.236 -5.862 -8.275 1.00 0.00 N ATOM 313 CA GLU A 20 13.117 -4.859 -9.330 1.00 0.00 C ATOM 314 C GLU A 20 11.781 -4.124 -9.250 1.00 0.00 C ATOM 315 O GLU A 20 11.730 -2.899 -9.364 1.00 0.00 O ATOM 316 CB GLU A 20 13.277 -5.512 -10.706 1.00 0.00 C ATOM 317 CG GLU A 20 12.292 -6.640 -10.969 1.00 0.00 C ATOM 318 CD GLU A 20 12.455 -7.247 -12.348 1.00 0.00 C ATOM 319 OE1 GLU A 20 11.859 -6.713 -13.307 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.180 -8.259 -12.471 1.00 0.00 O ATOM 0 H GLU A 20 13.338 -6.819 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 20 13.913 -4.129 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.156 -4.750 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.292 -5.900 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.426 -7.417 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.275 -6.262 -10.860 1.00 0.00 H new ATOM 327 N GLU A 21 10.704 -4.877 -9.054 1.00 0.00 N ATOM 328 CA GLU A 21 9.371 -4.295 -8.956 1.00 0.00 C ATOM 329 C GLU A 21 9.227 -3.491 -7.667 1.00 0.00 C ATOM 330 O GLU A 21 8.448 -2.540 -7.598 1.00 0.00 O ATOM 331 CB GLU A 21 8.307 -5.394 -9.007 1.00 0.00 C ATOM 332 CG GLU A 21 8.421 -6.295 -10.226 1.00 0.00 C ATOM 333 CD GLU A 21 8.245 -5.542 -11.530 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.258 -5.053 -12.075 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.096 -5.441 -12.008 1.00 0.00 O ATOM 0 H GLU A 21 10.728 -5.892 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 21 9.229 -3.623 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.383 -6.004 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.319 -4.933 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.396 -6.783 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.670 -7.082 -10.162 1.00 0.00 H new ATOM 342 N LEU A 22 9.985 -3.885 -6.648 1.00 0.00 N ATOM 343 CA LEU A 22 9.951 -3.210 -5.354 1.00 0.00 C ATOM 344 C LEU A 22 10.467 -1.778 -5.468 1.00 0.00 C ATOM 345 O LEU A 22 9.955 -0.869 -4.814 1.00 0.00 O ATOM 346 CB LEU A 22 10.788 -3.991 -4.337 1.00 0.00 C ATOM 347 CG LEU A 22 10.746 -3.458 -2.904 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.343 -3.576 -2.329 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.744 -4.203 -2.032 1.00 0.00 C ATOM 0 H LEU A 22 10.633 -4.671 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 22 8.916 -3.171 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.448 -5.027 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.825 -3.998 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 22 11.021 -2.403 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.334 -3.192 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.649 -2.999 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.038 -4.623 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.702 -3.812 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.498 -5.265 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.749 -4.067 -2.432 1.00 0.00 H new ATOM 361 N LYS A 23 11.484 -1.585 -6.302 1.00 0.00 N ATOM 362 CA LYS A 23 12.071 -0.263 -6.505 1.00 0.00 C ATOM 363 C LYS A 23 11.170 0.615 -7.366 1.00 0.00 C ATOM 364 O LYS A 23 11.154 1.838 -7.217 1.00 0.00 O ATOM 365 CB LYS A 23 13.446 -0.391 -7.162 1.00 0.00 C ATOM 366 CG LYS A 23 14.453 -1.170 -6.330 1.00 0.00 C ATOM 367 CD LYS A 23 15.784 -1.315 -7.052 1.00 0.00 C ATOM 368 CE LYS A 23 16.463 0.031 -7.258 1.00 0.00 C ATOM 369 NZ LYS A 23 17.790 -0.109 -7.917 1.00 0.00 N ATOM 0 H LYS A 23 11.920 -2.327 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 23 12.178 0.208 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.332 -0.880 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.841 0.607 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.608 -0.663 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.052 -2.158 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.440 -1.969 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.623 -1.793 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.823 0.671 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.587 0.526 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.218 0.831 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.411 -0.698 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.670 -0.558 -8.848 1.00 0.00 H new ATOM 383 N ARG A 24 10.422 -0.013 -8.268 1.00 0.00 N ATOM 384 CA ARG A 24 9.523 0.716 -9.158 1.00 0.00 C ATOM 385 C ARG A 24 8.391 1.383 -8.381 1.00 0.00 C ATOM 386 O ARG A 24 8.156 2.583 -8.522 1.00 0.00 O ATOM 387 CB ARG A 24 8.946 -0.225 -10.218 1.00 0.00 C ATOM 388 CG ARG A 24 9.964 -0.668 -11.257 1.00 0.00 C ATOM 389 CD ARG A 24 9.346 -1.616 -12.274 1.00 0.00 C ATOM 390 NE ARG A 24 8.158 -1.046 -12.903 1.00 0.00 N ATOM 391 CZ ARG A 24 7.508 -1.618 -13.913 1.00 0.00 C ATOM 392 NH1 ARG A 24 7.933 -2.772 -14.412 1.00 0.00 N ATOM 393 NH2 ARG A 24 6.432 -1.038 -14.424 1.00 0.00 N ATOM 0 H ARG A 24 10.420 -1.024 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 24 10.103 1.497 -9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.535 -1.106 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.118 0.273 -10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.366 0.206 -11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.801 -1.160 -10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.083 -1.855 -13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.082 -2.552 -11.783 1.00 0.00 H new ATOM 0 HE ARG A 24 7.806 -0.157 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.760 -3.223 -14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.432 -3.208 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.101 -0.152 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.935 -1.478 -15.198 1.00 0.00 H new ATOM 407 N PHE A 25 7.697 0.600 -7.559 1.00 0.00 N ATOM 408 CA PHE A 25 6.587 1.118 -6.764 1.00 0.00 C ATOM 409 C PHE A 25 7.026 2.312 -5.920 1.00 0.00 C ATOM 410 O PHE A 25 6.272 3.269 -5.745 1.00 0.00 O ATOM 411 CB PHE A 25 6.024 0.018 -5.861 1.00 0.00 C ATOM 412 CG PHE A 25 4.937 0.492 -4.937 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.649 0.703 -5.407 1.00 0.00 C ATOM 414 CD2 PHE A 25 5.205 0.729 -3.598 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.650 1.140 -4.558 1.00 0.00 C ATOM 416 CE2 PHE A 25 4.209 1.166 -2.744 1.00 0.00 C ATOM 417 CZ PHE A 25 2.930 1.372 -3.225 1.00 0.00 C ATOM 0 H PHE A 25 7.883 -0.394 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 25 5.808 1.452 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.634 -0.787 -6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.835 -0.403 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.424 0.524 -6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.203 0.571 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.651 1.300 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.430 1.346 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.151 1.714 -2.560 1.00 0.00 H new ATOM 427 N LYS A 26 8.247 2.251 -5.402 1.00 0.00 N ATOM 428 CA LYS A 26 8.782 3.324 -4.570 1.00 0.00 C ATOM 429 C LYS A 26 8.988 4.604 -5.377 1.00 0.00 C ATOM 430 O LYS A 26 8.870 5.708 -4.845 1.00 0.00 O ATOM 431 CB LYS A 26 10.104 2.887 -3.935 1.00 0.00 C ATOM 432 CG LYS A 26 9.932 1.946 -2.752 1.00 0.00 C ATOM 433 CD LYS A 26 9.482 2.693 -1.509 1.00 0.00 C ATOM 434 CE LYS A 26 9.291 1.751 -0.331 1.00 0.00 C ATOM 435 NZ LYS A 26 9.003 2.488 0.929 1.00 0.00 N ATOM 0 H LYS A 26 8.887 1.469 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 26 8.056 3.534 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.716 2.397 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.650 3.772 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.201 1.177 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.874 1.437 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.220 3.453 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.547 3.214 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.472 1.064 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.189 1.146 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.407 1.900 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.896 2.706 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.504 3.373 0.707 1.00 0.00 H new ATOM 449 N TYR A 27 9.296 4.451 -6.661 1.00 0.00 N ATOM 450 CA TYR A 27 9.529 5.598 -7.535 1.00 0.00 C ATOM 451 C TYR A 27 8.226 6.322 -7.874 1.00 0.00 C ATOM 452 O TYR A 27 8.130 7.541 -7.726 1.00 0.00 O ATOM 453 CB TYR A 27 10.222 5.144 -8.822 1.00 0.00 C ATOM 454 CG TYR A 27 10.627 6.282 -9.735 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.871 6.886 -9.611 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.767 6.747 -10.721 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.247 7.923 -10.445 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.134 7.783 -11.559 1.00 0.00 C ATOM 459 CZ TYR A 27 11.375 8.368 -11.416 1.00 0.00 C ATOM 460 OH TYR A 27 11.747 9.400 -12.248 1.00 0.00 O ATOM 0 H TYR A 27 9.390 3.545 -7.120 1.00 0.00 H new ATOM 0 HA TYR A 27 10.172 6.298 -7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.109 4.567 -8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.555 4.475 -9.366 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.556 6.540 -8.851 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.795 6.291 -10.835 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.219 8.382 -10.336 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.453 8.132 -12.321 1.00 0.00 H new ATOM 0 HH TYR A 27 11.020 9.592 -12.877 1.00 0.00 H new ATOM 470 N PHE A 28 7.229 5.568 -8.328 1.00 0.00 N ATOM 471 CA PHE A 28 5.942 6.147 -8.707 1.00 0.00 C ATOM 472 C PHE A 28 5.168 6.665 -7.497 1.00 0.00 C ATOM 473 O PHE A 28 4.766 7.828 -7.464 1.00 0.00 O ATOM 474 CB PHE A 28 5.099 5.119 -9.464 1.00 0.00 C ATOM 475 CG PHE A 28 5.636 4.791 -10.829 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.298 5.569 -11.925 1.00 0.00 C ATOM 477 CD2 PHE A 28 6.481 3.708 -11.014 1.00 0.00 C ATOM 478 CE1 PHE A 28 5.792 5.272 -13.182 1.00 0.00 C ATOM 479 CE2 PHE A 28 6.978 3.406 -12.268 1.00 0.00 C ATOM 480 CZ PHE A 28 6.633 4.189 -13.354 1.00 0.00 C ATOM 0 H PHE A 28 7.286 4.556 -8.443 1.00 0.00 H new ATOM 0 HA PHE A 28 6.149 6.997 -9.357 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.042 4.203 -8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.082 5.498 -9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.641 6.417 -11.796 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.754 3.093 -10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.521 5.886 -14.028 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.635 2.559 -12.399 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.020 3.955 -14.335 1.00 0.00 H new ATOM 490 N ALA A 29 4.955 5.803 -6.507 1.00 0.00 N ATOM 491 CA ALA A 29 4.213 6.190 -5.310 1.00 0.00 C ATOM 492 C ALA A 29 4.879 7.359 -4.592 1.00 0.00 C ATOM 493 O ALA A 29 4.237 8.371 -4.308 1.00 0.00 O ATOM 494 CB ALA A 29 4.081 5.006 -4.366 1.00 0.00 C ATOM 0 H ALA A 29 5.283 4.837 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 29 3.220 6.511 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.526 5.309 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.549 4.198 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.073 4.661 -4.074 1.00 0.00 H new ATOM 500 N LEU A 30 6.167 7.214 -4.296 1.00 0.00 N ATOM 501 CA LEU A 30 6.912 8.261 -3.606 1.00 0.00 C ATOM 502 C LEU A 30 7.717 9.109 -4.586 1.00 0.00 C ATOM 503 O LEU A 30 8.866 8.792 -4.895 1.00 0.00 O ATOM 504 CB LEU A 30 7.842 7.638 -2.564 1.00 0.00 C ATOM 505 CG LEU A 30 7.166 6.654 -1.612 1.00 0.00 C ATOM 506 CD1 LEU A 30 8.197 5.739 -0.976 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.381 7.401 -0.545 1.00 0.00 C ATOM 0 H LEU A 30 6.715 6.384 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 30 6.195 8.914 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.652 7.124 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.295 8.437 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 30 6.469 6.041 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.699 5.044 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.716 5.180 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.917 6.336 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.905 6.685 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.057 8.038 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.617 8.017 -1.020 1.00 0.00 H new ATOM 519 N THR A 31 7.107 10.183 -5.079 1.00 0.00 N ATOM 520 CA THR A 31 7.778 11.073 -6.018 1.00 0.00 C ATOM 521 C THR A 31 8.484 12.216 -5.297 1.00 0.00 C ATOM 522 O THR A 31 9.665 12.477 -5.533 1.00 0.00 O ATOM 523 CB THR A 31 6.784 11.665 -7.034 1.00 0.00 C ATOM 524 OG1 THR A 31 5.788 12.437 -6.354 1.00 0.00 O ATOM 525 CG2 THR A 31 6.116 10.562 -7.838 1.00 0.00 C ATOM 0 H THR A 31 6.153 10.456 -4.844 1.00 0.00 H new ATOM 0 HA THR A 31 8.518 10.470 -6.544 1.00 0.00 H new ATOM 0 HB THR A 31 7.337 12.310 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.161 12.811 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.418 11.002 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.874 9.995 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.576 9.897 -7.164 1.00 0.00 H new ATOM 533 N GLU A 32 7.753 12.891 -4.416 1.00 0.00 N ATOM 534 CA GLU A 32 8.300 14.017 -3.666 1.00 0.00 C ATOM 535 C GLU A 32 8.780 13.597 -2.279 1.00 0.00 C ATOM 536 O GLU A 32 9.415 14.382 -1.575 1.00 0.00 O ATOM 537 CB GLU A 32 7.252 15.124 -3.537 1.00 0.00 C ATOM 538 CG GLU A 32 6.775 15.668 -4.874 1.00 0.00 C ATOM 539 CD GLU A 32 5.766 16.789 -4.722 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.555 16.492 -4.641 1.00 0.00 O ATOM 541 OE2 GLU A 32 6.186 17.965 -4.683 1.00 0.00 O ATOM 0 H GLU A 32 6.779 12.678 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 32 9.162 14.390 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.395 14.739 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.669 15.942 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.632 16.031 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.329 14.859 -5.453 1.00 0.00 H new ATOM 548 N PHE A 33 8.477 12.363 -1.885 1.00 0.00 N ATOM 549 CA PHE A 33 8.879 11.873 -0.569 1.00 0.00 C ATOM 550 C PHE A 33 10.346 11.454 -0.556 1.00 0.00 C ATOM 551 O PHE A 33 10.987 11.455 0.495 1.00 0.00 O ATOM 552 CB PHE A 33 7.985 10.707 -0.146 1.00 0.00 C ATOM 553 CG PHE A 33 6.538 11.089 -0.019 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.094 11.806 1.080 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.624 10.739 -1.001 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.766 12.165 1.199 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.294 11.096 -0.888 1.00 0.00 C ATOM 558 CZ PHE A 33 3.865 11.810 0.214 1.00 0.00 C ATOM 0 H PHE A 33 7.960 11.690 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 33 8.761 12.688 0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.079 9.902 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.336 10.316 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.794 12.087 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.955 10.181 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.432 12.723 2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.591 10.817 -1.659 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.826 12.090 0.305 1.00 0.00 H new ATOM 568 N GLN A 34 10.871 11.109 -1.730 1.00 0.00 N ATOM 569 CA GLN A 34 12.270 10.703 -1.869 1.00 0.00 C ATOM 570 C GLN A 34 12.715 9.777 -0.736 1.00 0.00 C ATOM 571 O GLN A 34 13.849 9.865 -0.264 1.00 0.00 O ATOM 572 CB GLN A 34 13.168 11.942 -1.905 1.00 0.00 C ATOM 573 CG GLN A 34 12.863 12.881 -3.063 1.00 0.00 C ATOM 574 CD GLN A 34 13.693 14.152 -3.023 1.00 0.00 C ATOM 575 OE1 GLN A 34 13.250 15.208 -3.474 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.904 14.055 -2.486 1.00 0.00 N ATOM 0 H GLN A 34 10.346 11.102 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 34 12.360 10.149 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.059 12.487 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.209 11.625 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.046 12.362 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.805 13.142 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.231 13.159 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.507 14.876 -2.436 1.00 0.00 H new ATOM 585 N ILE A 35 11.826 8.884 -0.306 1.00 0.00 N ATOM 586 CA ILE A 35 12.146 7.951 0.771 1.00 0.00 C ATOM 587 C ILE A 35 13.389 7.128 0.434 1.00 0.00 C ATOM 588 O ILE A 35 13.554 6.661 -0.693 1.00 0.00 O ATOM 589 CB ILE A 35 10.958 7.009 1.079 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.901 7.758 1.899 1.00 0.00 C ATOM 591 CG2 ILE A 35 11.433 5.760 1.813 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.710 6.910 2.306 1.00 0.00 C ATOM 0 H ILE A 35 10.884 8.787 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 35 12.350 8.547 1.661 1.00 0.00 H new ATOM 0 HB ILE A 35 10.509 6.689 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.371 8.158 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.545 8.610 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.581 5.113 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.153 5.226 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.905 6.048 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.011 7.517 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.211 6.531 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.051 6.072 2.915 1.00 0.00 H new ATOM 604 N ALA A 36 14.261 6.959 1.425 1.00 0.00 N ATOM 605 CA ALA A 36 15.498 6.204 1.249 1.00 0.00 C ATOM 606 C ALA A 36 15.225 4.750 0.875 1.00 0.00 C ATOM 607 O ALA A 36 14.247 4.153 1.324 1.00 0.00 O ATOM 608 CB ALA A 36 16.338 6.272 2.516 1.00 0.00 C ATOM 0 H ALA A 36 14.132 7.337 2.363 1.00 0.00 H new ATOM 0 HA ALA A 36 16.049 6.659 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.258 5.705 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.582 7.311 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.776 5.848 3.348 1.00 0.00 H new ATOM 614 N ARG A 37 16.103 4.189 0.047 1.00 0.00 N ATOM 615 CA ARG A 37 15.976 2.804 -0.395 1.00 0.00 C ATOM 616 C ARG A 37 16.173 1.835 0.770 1.00 0.00 C ATOM 617 O ARG A 37 15.593 0.750 0.794 1.00 0.00 O ATOM 618 CB ARG A 37 16.992 2.511 -1.502 1.00 0.00 C ATOM 619 CG ARG A 37 16.988 1.067 -1.981 1.00 0.00 C ATOM 620 CD ARG A 37 15.652 0.684 -2.600 1.00 0.00 C ATOM 621 NE ARG A 37 15.384 1.423 -3.831 1.00 0.00 N ATOM 622 CZ ARG A 37 14.161 1.688 -4.282 1.00 0.00 C ATOM 623 NH1 ARG A 37 13.097 1.297 -3.591 1.00 0.00 N ATOM 624 NH2 ARG A 37 14.000 2.347 -5.422 1.00 0.00 N ATOM 0 H ARG A 37 16.915 4.676 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 37 14.969 2.663 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.788 3.165 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.990 2.760 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.783 0.924 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.204 0.405 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.644 -0.385 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.853 0.873 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 37 16.180 1.755 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.217 0.792 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.160 1.501 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.815 2.652 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.061 2.549 -5.766 1.00 0.00 H new ATOM 638 N SER A 38 16.997 2.233 1.733 1.00 0.00 N ATOM 639 CA SER A 38 17.270 1.400 2.900 1.00 0.00 C ATOM 640 C SER A 38 15.999 1.161 3.709 1.00 0.00 C ATOM 641 O SER A 38 15.860 0.138 4.380 1.00 0.00 O ATOM 642 CB SER A 38 18.334 2.055 3.783 1.00 0.00 C ATOM 643 OG SER A 38 17.897 3.317 4.255 1.00 0.00 O ATOM 0 H SER A 38 17.488 3.127 1.729 1.00 0.00 H new ATOM 0 HA SER A 38 17.641 0.437 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.560 1.405 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.258 2.175 3.217 1.00 0.00 H new ATOM 0 HG SER A 38 18.593 3.715 4.818 1.00 0.00 H new ATOM 649 N THR A 39 15.076 2.116 3.639 1.00 0.00 N ATOM 650 CA THR A 39 13.815 2.027 4.366 1.00 0.00 C ATOM 651 C THR A 39 13.048 0.753 4.014 1.00 0.00 C ATOM 652 O THR A 39 12.189 0.307 4.775 1.00 0.00 O ATOM 653 CB THR A 39 12.921 3.246 4.071 1.00 0.00 C ATOM 654 OG1 THR A 39 13.672 4.455 4.234 1.00 0.00 O ATOM 655 CG2 THR A 39 11.712 3.273 4.995 1.00 0.00 C ATOM 0 H THR A 39 15.180 2.965 3.083 1.00 0.00 H new ATOM 0 HA THR A 39 14.066 2.005 5.427 1.00 0.00 H new ATOM 0 HB THR A 39 12.571 3.167 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.936 4.797 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.098 4.144 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.124 2.366 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.047 3.328 6.031 1.00 0.00 H new ATOM 663 N LEU A 40 13.369 0.164 2.864 1.00 0.00 N ATOM 664 CA LEU A 40 12.702 -1.057 2.410 1.00 0.00 C ATOM 665 C LEU A 40 12.827 -2.193 3.427 1.00 0.00 C ATOM 666 O LEU A 40 12.192 -3.236 3.275 1.00 0.00 O ATOM 667 CB LEU A 40 13.274 -1.507 1.060 1.00 0.00 C ATOM 668 CG LEU A 40 12.587 -0.922 -0.181 1.00 0.00 C ATOM 669 CD1 LEU A 40 11.120 -1.317 -0.223 1.00 0.00 C ATOM 670 CD2 LEU A 40 12.732 0.593 -0.218 1.00 0.00 C ATOM 0 H LEU A 40 14.087 0.512 2.228 1.00 0.00 H new ATOM 0 HA LEU A 40 11.643 -0.822 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.331 -1.241 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.217 -2.594 1.006 1.00 0.00 H new ATOM 0 HG LEU A 40 13.079 -1.334 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.654 -0.891 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.036 -2.403 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.616 -0.940 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.237 0.984 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.274 1.024 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.789 0.857 -0.246 1.00 0.00 H new ATOM 682 N ASP A 41 13.646 -1.992 4.458 1.00 0.00 N ATOM 683 CA ASP A 41 13.841 -3.008 5.490 1.00 0.00 C ATOM 684 C ASP A 41 12.502 -3.471 6.059 1.00 0.00 C ATOM 685 O ASP A 41 12.173 -4.657 6.013 1.00 0.00 O ATOM 686 CB ASP A 41 14.725 -2.462 6.614 1.00 0.00 C ATOM 687 CG ASP A 41 15.036 -3.508 7.667 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.959 -4.319 7.443 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.359 -3.512 8.717 1.00 0.00 O ATOM 0 H ASP A 41 14.184 -1.137 4.601 1.00 0.00 H new ATOM 0 HA ASP A 41 14.336 -3.864 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.657 -2.089 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.227 -1.614 7.084 1.00 0.00 H new ATOM 694 N VAL A 42 11.736 -2.527 6.595 1.00 0.00 N ATOM 695 CA VAL A 42 10.427 -2.827 7.169 1.00 0.00 C ATOM 696 C VAL A 42 9.369 -1.877 6.628 1.00 0.00 C ATOM 697 O VAL A 42 8.268 -1.779 7.170 1.00 0.00 O ATOM 698 CB VAL A 42 10.444 -2.727 8.704 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.182 -3.909 9.313 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.069 -1.415 9.147 1.00 0.00 C ATOM 0 H VAL A 42 12.000 -1.543 6.644 1.00 0.00 H new ATOM 0 HA VAL A 42 10.185 -3.851 6.884 1.00 0.00 H new ATOM 0 HB VAL A 42 9.414 -2.752 9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.182 -3.818 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.684 -4.835 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.210 -3.922 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.072 -1.363 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.093 -1.357 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.491 -0.583 8.745 1.00 0.00 H new ATOM 710 N ALA A 43 9.720 -1.178 5.553 1.00 0.00 N ATOM 711 CA ALA A 43 8.825 -0.218 4.920 1.00 0.00 C ATOM 712 C ALA A 43 7.421 -0.769 4.734 1.00 0.00 C ATOM 713 O ALA A 43 6.437 -0.087 4.998 1.00 0.00 O ATOM 714 CB ALA A 43 9.390 0.216 3.577 1.00 0.00 C ATOM 0 H ALA A 43 10.629 -1.261 5.098 1.00 0.00 H new ATOM 0 HA ALA A 43 8.753 0.641 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.714 0.933 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.365 0.680 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.497 -0.654 2.929 1.00 0.00 H new ATOM 720 N ASP A 44 7.322 -2.021 4.344 1.00 0.00 N ATOM 721 CA ASP A 44 6.019 -2.608 4.080 1.00 0.00 C ATOM 722 C ASP A 44 5.082 -2.516 5.282 1.00 0.00 C ATOM 723 O ASP A 44 3.961 -2.023 5.152 1.00 0.00 O ATOM 724 CB ASP A 44 6.183 -4.070 3.661 1.00 0.00 C ATOM 725 CG ASP A 44 6.927 -4.895 4.692 1.00 0.00 C ATOM 726 OD1 ASP A 44 8.082 -4.544 5.013 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.356 -5.895 5.176 1.00 0.00 O ATOM 0 H ASP A 44 8.114 -2.648 4.203 1.00 0.00 H new ATOM 0 HA ASP A 44 5.565 -2.036 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.199 -4.508 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.718 -4.114 2.712 1.00 0.00 H new ATOM 732 N ARG A 45 5.522 -2.979 6.446 1.00 0.00 N ATOM 733 CA ARG A 45 4.661 -2.940 7.625 1.00 0.00 C ATOM 734 C ARG A 45 4.584 -1.573 8.323 1.00 0.00 C ATOM 735 O ARG A 45 3.522 -0.949 8.372 1.00 0.00 O ATOM 736 CB ARG A 45 5.129 -3.987 8.640 1.00 0.00 C ATOM 737 CG ARG A 45 5.714 -5.238 8.005 1.00 0.00 C ATOM 738 CD ARG A 45 5.992 -6.312 9.044 1.00 0.00 C ATOM 739 NE ARG A 45 6.655 -7.477 8.462 1.00 0.00 N ATOM 740 CZ ARG A 45 6.958 -8.574 9.151 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.657 -8.655 10.440 1.00 0.00 N ATOM 742 NH2 ARG A 45 7.562 -9.589 8.549 1.00 0.00 N ATOM 0 H ARG A 45 6.448 -3.378 6.600 1.00 0.00 H new ATOM 0 HA ARG A 45 3.657 -3.153 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.878 -3.538 9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.286 -4.271 9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.023 -5.625 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.638 -4.985 7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.616 -5.898 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.054 -6.621 9.506 1.00 0.00 H new ATOM 0 HE ARG A 45 6.899 -7.447 7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.192 -7.875 10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.890 -9.497 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.794 -9.529 7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.794 -10.430 9.077 1.00 0.00 H new ATOM 756 N THR A 46 5.719 -1.116 8.858 1.00 0.00 N ATOM 757 CA THR A 46 5.770 0.133 9.634 1.00 0.00 C ATOM 758 C THR A 46 5.921 1.453 8.862 1.00 0.00 C ATOM 759 O THR A 46 5.077 2.342 8.976 1.00 0.00 O ATOM 760 CB THR A 46 6.903 0.063 10.673 1.00 0.00 C ATOM 761 OG1 THR A 46 8.153 -0.195 10.023 1.00 0.00 O ATOM 762 CG2 THR A 46 6.627 -1.023 11.703 1.00 0.00 C ATOM 0 H THR A 46 6.618 -1.590 8.770 1.00 0.00 H new ATOM 0 HA THR A 46 4.774 0.177 10.075 1.00 0.00 H new ATOM 0 HB THR A 46 6.954 1.024 11.185 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.867 -0.236 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.441 -1.053 12.427 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.691 -0.806 12.218 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.550 -1.988 11.202 1.00 0.00 H new ATOM 770 N GLU A 47 6.993 1.577 8.083 1.00 0.00 N ATOM 771 CA GLU A 47 7.312 2.842 7.404 1.00 0.00 C ATOM 772 C GLU A 47 6.386 3.247 6.255 1.00 0.00 C ATOM 773 O GLU A 47 5.756 4.302 6.318 1.00 0.00 O ATOM 774 CB GLU A 47 8.755 2.791 6.909 1.00 0.00 C ATOM 775 CG GLU A 47 9.739 3.484 7.840 1.00 0.00 C ATOM 776 CD GLU A 47 9.801 2.837 9.210 1.00 0.00 C ATOM 777 OE1 GLU A 47 8.977 3.200 10.077 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.673 1.967 9.415 1.00 0.00 O ATOM 0 H GLU A 47 7.656 0.823 7.903 1.00 0.00 H new ATOM 0 HA GLU A 47 7.160 3.615 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.053 1.750 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.810 3.255 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.732 3.469 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.455 4.531 7.949 1.00 0.00 H new ATOM 785 N LEU A 48 6.298 2.432 5.216 1.00 0.00 N ATOM 786 CA LEU A 48 5.469 2.771 4.057 1.00 0.00 C ATOM 787 C LEU A 48 4.013 3.021 4.439 1.00 0.00 C ATOM 788 O LEU A 48 3.452 4.061 4.100 1.00 0.00 O ATOM 789 CB LEU A 48 5.549 1.673 2.990 1.00 0.00 C ATOM 790 CG LEU A 48 5.805 2.166 1.563 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.962 0.987 0.617 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.680 3.076 1.092 1.00 0.00 C ATOM 0 H LEU A 48 6.783 1.538 5.145 1.00 0.00 H new ATOM 0 HA LEU A 48 5.867 3.699 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.343 0.979 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.616 1.110 3.001 1.00 0.00 H new ATOM 0 HG LEU A 48 6.730 2.742 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.143 1.353 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.804 0.373 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.051 0.388 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.886 3.413 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.738 2.528 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.610 3.940 1.753 1.00 0.00 H new ATOM 804 N ALA A 49 3.410 2.075 5.150 1.00 0.00 N ATOM 805 CA ALA A 49 2.009 2.193 5.551 1.00 0.00 C ATOM 806 C ALA A 49 1.712 3.511 6.268 1.00 0.00 C ATOM 807 O ALA A 49 0.821 4.255 5.864 1.00 0.00 O ATOM 808 CB ALA A 49 1.622 1.019 6.438 1.00 0.00 C ATOM 0 H ALA A 49 3.867 1.218 5.461 1.00 0.00 H new ATOM 0 HA ALA A 49 1.411 2.182 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.577 1.114 6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.761 0.087 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.251 1.013 7.328 1.00 0.00 H new ATOM 814 N ASP A 50 2.461 3.794 7.328 1.00 0.00 N ATOM 815 CA ASP A 50 2.255 5.012 8.113 1.00 0.00 C ATOM 816 C ASP A 50 2.621 6.280 7.340 1.00 0.00 C ATOM 817 O ASP A 50 1.926 7.292 7.432 1.00 0.00 O ATOM 818 CB ASP A 50 3.073 4.944 9.405 1.00 0.00 C ATOM 819 CG ASP A 50 2.836 6.141 10.304 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.567 7.144 10.162 1.00 0.00 O ATOM 821 OD2 ASP A 50 1.920 6.076 11.149 1.00 0.00 O ATOM 0 H ASP A 50 3.217 3.198 7.666 1.00 0.00 H new ATOM 0 HA ASP A 50 1.191 5.067 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.819 4.032 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.133 4.883 9.158 1.00 0.00 H new ATOM 826 N HIS A 51 3.710 6.221 6.583 1.00 0.00 N ATOM 827 CA HIS A 51 4.187 7.378 5.825 1.00 0.00 C ATOM 828 C HIS A 51 3.203 7.812 4.738 1.00 0.00 C ATOM 829 O HIS A 51 2.777 8.967 4.708 1.00 0.00 O ATOM 830 CB HIS A 51 5.547 7.072 5.197 1.00 0.00 C ATOM 831 CG HIS A 51 6.267 8.289 4.706 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.416 8.786 5.282 1.00 0.00 N ATOM 833 CD2 HIS A 51 5.985 9.114 3.664 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.786 9.871 4.590 1.00 0.00 C ATOM 835 NE2 HIS A 51 6.952 10.112 3.598 1.00 0.00 N ATOM 0 H HIS A 51 4.283 5.384 6.476 1.00 0.00 H new ATOM 0 HA HIS A 51 4.280 8.204 6.530 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.171 6.563 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.407 6.382 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.144 9.011 2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.655 10.471 4.815 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.005 10.873 2.921 1.00 0.00 H new ATOM 843 N LEU A 52 2.853 6.890 3.846 1.00 0.00 N ATOM 844 CA LEU A 52 1.942 7.195 2.745 1.00 0.00 C ATOM 845 C LEU A 52 0.661 7.879 3.231 1.00 0.00 C ATOM 846 O LEU A 52 0.083 8.696 2.515 1.00 0.00 O ATOM 847 CB LEU A 52 1.616 5.926 1.944 1.00 0.00 C ATOM 848 CG LEU A 52 0.906 4.810 2.715 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.600 4.987 2.651 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.300 3.450 2.161 1.00 0.00 C ATOM 0 H LEU A 52 3.186 5.926 3.863 1.00 0.00 H new ATOM 0 HA LEU A 52 2.451 7.899 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.994 6.206 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.546 5.526 1.540 1.00 0.00 H new ATOM 0 HG LEU A 52 1.215 4.866 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.085 4.183 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.873 5.947 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.926 4.958 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.787 2.667 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.018 3.390 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.378 3.317 2.256 1.00 0.00 H new ATOM 862 N ILE A 53 0.218 7.545 4.443 1.00 0.00 N ATOM 863 CA ILE A 53 -0.993 8.147 5.004 1.00 0.00 C ATOM 864 C ILE A 53 -0.893 9.671 5.035 1.00 0.00 C ATOM 865 O ILE A 53 -1.862 10.371 4.747 1.00 0.00 O ATOM 866 CB ILE A 53 -1.278 7.636 6.441 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.686 6.156 6.439 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.355 8.474 7.115 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.621 5.764 5.314 1.00 0.00 C ATOM 0 H ILE A 53 0.675 6.866 5.052 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.814 7.849 4.352 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.353 7.735 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.786 5.544 6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.165 5.923 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.535 8.094 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.026 9.512 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.276 8.417 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.857 4.702 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.540 6.346 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.140 5.961 4.356 1.00 0.00 H new ATOM 881 N GLN A 54 0.284 10.176 5.384 1.00 0.00 N ATOM 882 CA GLN A 54 0.510 11.616 5.466 1.00 0.00 C ATOM 883 C GLN A 54 0.234 12.308 4.132 1.00 0.00 C ATOM 884 O GLN A 54 -0.110 13.489 4.101 1.00 0.00 O ATOM 885 CB GLN A 54 1.947 11.901 5.912 1.00 0.00 C ATOM 886 CG GLN A 54 2.248 13.380 6.097 1.00 0.00 C ATOM 887 CD GLN A 54 1.394 14.019 7.175 1.00 0.00 C ATOM 888 OE1 GLN A 54 0.995 13.363 8.136 1.00 0.00 O ATOM 889 NE2 GLN A 54 1.110 15.306 7.017 1.00 0.00 N ATOM 0 H GLN A 54 1.100 9.609 5.616 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.186 12.017 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.137 11.381 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.635 11.489 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.301 13.504 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.085 13.901 5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.463 15.810 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.539 15.791 7.709 1.00 0.00 H new ATOM 898 N SER A 55 0.388 11.573 3.034 1.00 0.00 N ATOM 899 CA SER A 55 0.173 12.137 1.704 1.00 0.00 C ATOM 900 C SER A 55 -1.226 12.735 1.552 1.00 0.00 C ATOM 901 O SER A 55 -1.368 13.924 1.265 1.00 0.00 O ATOM 902 CB SER A 55 0.393 11.065 0.634 1.00 0.00 C ATOM 903 OG SER A 55 0.186 11.589 -0.666 1.00 0.00 O ATOM 0 H SER A 55 0.660 10.590 3.038 1.00 0.00 H new ATOM 0 HA SER A 55 0.896 12.943 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.406 10.671 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.288 10.231 0.806 1.00 0.00 H new ATOM 0 HG SER A 55 0.335 10.884 -1.330 1.00 0.00 H new ATOM 909 N ALA A 56 -2.257 11.913 1.742 1.00 0.00 N ATOM 910 CA ALA A 56 -3.634 12.385 1.612 1.00 0.00 C ATOM 911 C ALA A 56 -4.454 12.107 2.869 1.00 0.00 C ATOM 912 O ALA A 56 -5.312 12.903 3.250 1.00 0.00 O ATOM 913 CB ALA A 56 -4.296 11.741 0.402 1.00 0.00 C ATOM 0 H ALA A 56 -2.167 10.926 1.984 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.599 13.466 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.322 12.100 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.742 12.004 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.300 10.658 0.523 1.00 0.00 H new ATOM 919 N GLY A 57 -4.182 10.975 3.507 1.00 0.00 N ATOM 920 CA GLY A 57 -4.909 10.602 4.708 1.00 0.00 C ATOM 921 C GLY A 57 -4.866 9.109 4.960 1.00 0.00 C ATOM 922 O GLY A 57 -4.163 8.380 4.263 1.00 0.00 O ATOM 0 H GLY A 57 -3.469 10.307 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.486 11.126 5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.946 10.924 4.618 1.00 0.00 H new ATOM 926 N ALA A 58 -5.613 8.649 5.958 1.00 0.00 N ATOM 927 CA ALA A 58 -5.641 7.231 6.292 1.00 0.00 C ATOM 928 C ALA A 58 -6.290 6.401 5.188 1.00 0.00 C ATOM 929 O ALA A 58 -5.617 5.637 4.498 1.00 0.00 O ATOM 930 CB ALA A 58 -6.359 7.012 7.614 1.00 0.00 C ATOM 0 H ALA A 58 -6.205 9.235 6.547 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.608 6.896 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.371 5.948 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.838 7.552 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.383 7.379 7.537 1.00 0.00 H new ATOM 936 N ALA A 59 -7.599 6.558 5.021 1.00 0.00 N ATOM 937 CA ALA A 59 -8.338 5.809 4.007 1.00 0.00 C ATOM 938 C ALA A 59 -7.956 6.227 2.589 1.00 0.00 C ATOM 939 O ALA A 59 -7.758 5.380 1.718 1.00 0.00 O ATOM 940 CB ALA A 59 -9.835 5.978 4.222 1.00 0.00 C ATOM 0 H ALA A 59 -8.171 7.196 5.574 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.071 4.758 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.377 5.416 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.105 5.605 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.096 7.034 4.149 1.00 0.00 H new ATOM 946 N SER A 60 -7.848 7.532 2.363 1.00 0.00 N ATOM 947 CA SER A 60 -7.513 8.063 1.042 1.00 0.00 C ATOM 948 C SER A 60 -6.207 7.483 0.496 1.00 0.00 C ATOM 949 O SER A 60 -6.169 6.971 -0.623 1.00 0.00 O ATOM 950 CB SER A 60 -7.415 9.588 1.097 1.00 0.00 C ATOM 951 OG SER A 60 -7.175 10.131 -0.190 1.00 0.00 O ATOM 0 H SER A 60 -7.988 8.245 3.079 1.00 0.00 H new ATOM 0 HA SER A 60 -8.314 7.766 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.339 10.000 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.612 9.880 1.774 1.00 0.00 H new ATOM 0 HG SER A 60 -7.276 11.105 -0.158 1.00 0.00 H new ATOM 957 N ALA A 61 -5.140 7.572 1.281 1.00 0.00 N ATOM 958 CA ALA A 61 -3.833 7.075 0.856 1.00 0.00 C ATOM 959 C ALA A 61 -3.836 5.565 0.622 1.00 0.00 C ATOM 960 O ALA A 61 -3.213 5.077 -0.321 1.00 0.00 O ATOM 961 CB ALA A 61 -2.771 7.449 1.876 1.00 0.00 C ATOM 0 H ALA A 61 -5.152 7.983 2.215 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.600 7.549 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.802 7.073 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.725 8.534 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.023 7.009 2.841 1.00 0.00 H new ATOM 967 N VAL A 62 -4.532 4.828 1.481 1.00 0.00 N ATOM 968 CA VAL A 62 -4.595 3.374 1.361 1.00 0.00 C ATOM 969 C VAL A 62 -5.394 2.943 0.131 1.00 0.00 C ATOM 970 O VAL A 62 -5.092 1.921 -0.486 1.00 0.00 O ATOM 971 CB VAL A 62 -5.207 2.730 2.623 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.391 1.233 2.433 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.334 3.008 3.837 1.00 0.00 C ATOM 0 H VAL A 62 -5.059 5.211 2.266 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.568 3.026 1.249 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.188 3.174 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.824 0.802 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.057 1.052 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.424 0.770 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.779 2.547 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.340 2.592 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.256 4.084 3.990 1.00 0.00 H new ATOM 983 N THR A 63 -6.407 3.726 -0.228 1.00 0.00 N ATOM 984 CA THR A 63 -7.242 3.406 -1.382 1.00 0.00 C ATOM 985 C THR A 63 -6.516 3.676 -2.698 1.00 0.00 C ATOM 986 O THR A 63 -6.433 2.800 -3.559 1.00 0.00 O ATOM 987 CB THR A 63 -8.560 4.203 -1.367 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.289 5.601 -1.223 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.461 3.736 -0.235 1.00 0.00 C ATOM 0 H THR A 63 -6.669 4.582 0.260 1.00 0.00 H new ATOM 0 HA THR A 63 -7.465 2.342 -1.310 1.00 0.00 H new ATOM 0 HB THR A 63 -9.072 4.031 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.381 5.724 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.386 4.313 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.692 2.679 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.952 3.881 0.718 1.00 0.00 H new ATOM 997 N LYS A 64 -5.990 4.889 -2.849 1.00 0.00 N ATOM 998 CA LYS A 64 -5.279 5.266 -4.068 1.00 0.00 C ATOM 999 C LYS A 64 -4.093 4.341 -4.322 1.00 0.00 C ATOM 1000 O LYS A 64 -3.754 4.055 -5.471 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.807 6.723 -3.986 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.727 6.973 -2.941 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.331 6.795 -3.521 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.255 6.964 -2.462 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.158 8.373 -1.988 1.00 0.00 N ATOM 0 H LYS A 64 -6.042 5.625 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.972 5.167 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.429 7.026 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.664 7.359 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.831 7.983 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.864 6.287 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.247 5.805 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.173 7.521 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.472 6.311 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.293 6.651 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.368 8.460 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.993 9.002 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.045 8.642 -1.516 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.466 3.879 -3.244 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.314 2.990 -3.348 1.00 0.00 C ATOM 1021 C ALA A 65 -2.645 1.751 -4.170 1.00 0.00 C ATOM 1022 O ALA A 65 -1.784 1.199 -4.855 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.829 2.591 -1.963 1.00 0.00 C ATOM 0 H ALA A 65 -3.737 4.106 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.518 3.530 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.969 1.928 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.541 3.483 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.629 2.076 -1.432 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.900 1.318 -4.098 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.348 0.142 -4.832 1.00 0.00 C ATOM 1031 C ILE A 66 -4.310 0.379 -6.339 1.00 0.00 C ATOM 1032 O ILE A 66 -3.843 -0.472 -7.094 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.782 -0.260 -4.422 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.821 -0.677 -2.947 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.302 -1.384 -5.309 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.001 -1.913 -2.638 1.00 0.00 C ATOM 0 H ILE A 66 -4.625 1.766 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.662 -0.667 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.431 0.606 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.459 0.150 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.856 -0.858 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.313 -1.651 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.313 -1.053 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.652 -2.254 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.078 -2.145 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.376 -2.754 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.957 -1.731 -2.894 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.793 1.541 -6.768 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.829 1.880 -8.188 1.00 0.00 C ATOM 1050 C ASN A 67 -3.426 1.969 -8.786 1.00 0.00 C ATOM 1051 O ASN A 67 -3.211 1.585 -9.936 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.565 3.204 -8.398 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.579 3.633 -9.853 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -4.690 4.352 -10.308 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -6.590 3.190 -10.591 1.00 0.00 N ATOM 0 H ASN A 67 -5.165 2.265 -6.153 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.363 1.080 -8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.590 3.107 -8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.090 3.980 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.651 3.444 -11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.305 2.596 -10.172 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.477 2.473 -8.007 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.102 2.616 -8.474 1.00 0.00 C ATOM 1064 C ILE A 68 -0.391 1.266 -8.552 1.00 0.00 C ATOM 1065 O ILE A 68 0.174 0.914 -9.583 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.290 3.556 -7.558 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.939 4.940 -7.495 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.148 3.665 -8.047 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.372 5.824 -6.405 1.00 0.00 C ATOM 0 H ILE A 68 -2.633 2.789 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.159 3.048 -9.473 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.283 3.134 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.812 5.436 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.011 4.823 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.706 4.332 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.610 2.678 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.158 4.064 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.879 6.789 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.523 5.349 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.695 5.972 -6.574 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.435 0.516 -7.456 1.00 0.00 N ATOM 1082 CA PHE A 69 0.221 -0.788 -7.384 1.00 0.00 C ATOM 1083 C PHE A 69 -0.338 -1.772 -8.411 1.00 0.00 C ATOM 1084 O PHE A 69 0.405 -2.574 -8.976 1.00 0.00 O ATOM 1085 CB PHE A 69 0.075 -1.375 -5.978 1.00 0.00 C ATOM 1086 CG PHE A 69 0.747 -2.708 -5.808 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.125 -2.821 -5.897 1.00 0.00 C ATOM 1088 CD2 PHE A 69 0.000 -3.850 -5.561 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.746 -4.046 -5.742 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.615 -5.077 -5.406 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.990 -5.175 -5.496 1.00 0.00 C ATOM 0 H PHE A 69 -0.920 0.789 -6.601 1.00 0.00 H new ATOM 0 HA PHE A 69 1.275 -0.631 -7.613 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.492 -0.673 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.985 -1.480 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.721 -1.941 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.075 -3.779 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.821 -4.120 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.022 -5.959 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.473 -6.133 -5.374 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.643 -1.711 -8.651 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.282 -2.620 -9.598 1.00 0.00 C ATOM 1103 C GLN A 70 -1.870 -2.315 -11.038 1.00 0.00 C ATOM 1104 O GLN A 70 -1.358 -3.181 -11.746 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.812 -2.559 -9.450 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.441 -1.246 -9.893 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.945 -1.217 -9.681 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.674 -0.567 -10.431 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.417 -1.917 -8.656 1.00 0.00 N ATOM 0 H GLN A 70 -2.277 -1.047 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.945 -3.631 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.252 -3.371 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.070 -2.736 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.984 -0.424 -9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.223 -1.081 -10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.778 -2.442 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.419 -1.930 -8.465 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.070 -1.077 -11.454 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.753 -0.652 -12.809 1.00 0.00 C ATOM 1120 C LYS A 71 -0.253 -0.672 -13.091 1.00 0.00 C ATOM 1121 O LYS A 71 0.163 -0.468 -14.232 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.302 0.754 -13.058 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.820 0.829 -13.018 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.327 2.225 -13.346 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.056 2.593 -14.797 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.607 3.932 -15.144 1.00 0.00 N ATOM 0 H LYS A 71 -2.456 -0.339 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.224 -1.364 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.893 1.433 -12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.954 1.104 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.238 0.115 -13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.172 0.538 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.398 2.279 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.846 2.951 -12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.981 2.585 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.495 1.839 -15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.401 4.144 -16.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.636 3.933 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.169 4.655 -14.538 1.00 0.00 H new ATOM 1140 N LEU A 72 0.564 -0.912 -12.068 1.00 0.00 N ATOM 1141 CA LEU A 72 2.010 -0.886 -12.263 1.00 0.00 C ATOM 1142 C LEU A 72 2.696 -2.246 -12.201 1.00 0.00 C ATOM 1143 O LEU A 72 3.598 -2.515 -12.994 1.00 0.00 O ATOM 1144 CB LEU A 72 2.625 -0.023 -11.173 1.00 0.00 C ATOM 1145 CG LEU A 72 3.052 1.381 -11.592 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.186 1.317 -12.603 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.872 2.159 -12.157 1.00 0.00 C ATOM 0 H LEU A 72 0.259 -1.122 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 72 2.164 -0.499 -13.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.906 0.065 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.496 -0.542 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 72 3.412 1.905 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.476 2.328 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.041 0.806 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.855 0.771 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.200 3.157 -12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.476 1.638 -13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.093 2.241 -11.399 1.00 0.00 H new ATOM 1159 N ASN A 73 2.288 -3.104 -11.277 1.00 0.00 N ATOM 1160 CA ASN A 73 2.954 -4.399 -11.141 1.00 0.00 C ATOM 1161 C ASN A 73 2.028 -5.608 -11.248 1.00 0.00 C ATOM 1162 O ASN A 73 2.293 -6.532 -12.017 1.00 0.00 O ATOM 1163 CB ASN A 73 3.695 -4.449 -9.806 1.00 0.00 C ATOM 1164 CG ASN A 73 4.581 -3.238 -9.591 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.157 -2.241 -9.006 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.818 -3.316 -10.067 1.00 0.00 N ATOM 0 H ASN A 73 1.521 -2.938 -10.625 1.00 0.00 H new ATOM 0 HA ASN A 73 3.639 -4.471 -11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.971 -4.515 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.303 -5.353 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.458 -2.530 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.128 -4.162 -10.545 1.00 0.00 H new ATOM 1173 N TYR A 74 0.947 -5.602 -10.480 1.00 0.00 N ATOM 1174 CA TYR A 74 0.040 -6.754 -10.447 1.00 0.00 C ATOM 1175 C TYR A 74 -1.438 -6.374 -10.447 1.00 0.00 C ATOM 1176 O TYR A 74 -2.148 -6.641 -9.477 1.00 0.00 O ATOM 1177 CB TYR A 74 0.354 -7.636 -9.239 1.00 0.00 C ATOM 1178 CG TYR A 74 1.649 -8.407 -9.379 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.703 -9.578 -10.126 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.814 -7.965 -8.766 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.884 -10.286 -10.257 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.998 -8.668 -8.894 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.027 -9.827 -9.640 1.00 0.00 C ATOM 1184 OH TYR A 74 5.204 -10.530 -9.768 1.00 0.00 O ATOM 0 H TYR A 74 0.674 -4.826 -9.877 1.00 0.00 H new ATOM 0 HA TYR A 74 0.214 -7.305 -11.371 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.406 -7.012 -8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.465 -8.340 -9.089 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.809 -9.941 -10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.795 -7.058 -8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.910 -11.195 -10.840 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.896 -8.311 -8.412 1.00 0.00 H new ATOM 0 HH TYR A 74 5.915 -10.071 -9.273 1.00 0.00 H new ATOM 1194 N MET A 75 -1.898 -5.742 -11.518 1.00 0.00 N ATOM 1195 CA MET A 75 -3.299 -5.340 -11.621 1.00 0.00 C ATOM 1196 C MET A 75 -4.237 -6.509 -11.321 1.00 0.00 C ATOM 1197 O MET A 75 -5.400 -6.307 -10.975 1.00 0.00 O ATOM 1198 CB MET A 75 -3.590 -4.799 -13.022 1.00 0.00 C ATOM 1199 CG MET A 75 -3.337 -5.813 -14.127 1.00 0.00 C ATOM 1200 SD MET A 75 -3.821 -5.207 -15.754 1.00 0.00 S ATOM 1201 CE MET A 75 -3.400 -6.615 -16.778 1.00 0.00 C ATOM 0 H MET A 75 -1.326 -5.496 -12.326 1.00 0.00 H new ATOM 0 HA MET A 75 -3.475 -4.559 -10.882 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.629 -4.474 -13.069 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.972 -3.919 -13.199 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.278 -6.072 -14.141 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.886 -6.728 -13.907 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.642 -6.394 -17.818 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.334 -6.823 -16.690 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.968 -7.486 -16.451 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.726 -7.729 -11.454 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.522 -8.926 -11.197 1.00 0.00 C ATOM 1213 C HIS A 76 -4.601 -9.233 -9.699 1.00 0.00 C ATOM 1214 O HIS A 76 -5.687 -9.430 -9.155 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.935 -10.123 -11.946 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.843 -11.314 -11.979 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -5.758 -11.553 -12.981 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.966 -12.346 -11.107 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -6.395 -12.695 -12.692 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.951 -13.217 -11.566 1.00 0.00 N ATOM 0 H HIS A 76 -2.764 -7.916 -11.738 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.533 -8.737 -11.557 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.705 -9.824 -12.969 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.993 -10.408 -11.477 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.392 -12.472 -10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.172 -13.132 -13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.264 -14.080 -11.122 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.443 -9.276 -9.044 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.376 -9.568 -7.612 1.00 0.00 C ATOM 1230 C ILE A 77 -4.102 -8.510 -6.785 1.00 0.00 C ATOM 1231 O ILE A 77 -4.870 -8.837 -5.879 1.00 0.00 O ATOM 1232 CB ILE A 77 -1.910 -9.668 -7.130 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.233 -10.898 -7.742 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.844 -9.718 -5.606 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.225 -11.044 -7.360 1.00 0.00 C ATOM 0 H ILE A 77 -2.536 -9.112 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.871 -10.528 -7.467 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.376 -8.778 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.773 -11.792 -7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.311 -10.842 -8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.803 -9.788 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.289 -8.813 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.392 -10.589 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.637 -11.937 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.779 -10.168 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.310 -11.133 -6.277 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.850 -7.244 -7.099 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.465 -6.133 -6.381 1.00 0.00 C ATOM 1249 C ALA A 78 -5.988 -6.245 -6.352 1.00 0.00 C ATOM 1250 O ALA A 78 -6.630 -5.786 -5.408 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.039 -4.810 -6.994 1.00 0.00 C ATOM 0 H ALA A 78 -3.221 -6.960 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.118 -6.175 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.505 -3.989 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.955 -4.715 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.351 -4.775 -8.038 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.563 -6.850 -7.390 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.013 -7.013 -7.476 1.00 0.00 C ATOM 1259 C ASN A 79 -8.574 -7.658 -6.211 1.00 0.00 C ATOM 1260 O ASN A 79 -9.700 -7.376 -5.807 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.386 -7.855 -8.699 1.00 0.00 C ATOM 1262 CG ASN A 79 -8.097 -7.139 -10.003 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -8.140 -5.911 -10.075 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -7.800 -7.907 -11.045 1.00 0.00 N ATOM 0 H ASN A 79 -6.048 -7.235 -8.182 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.452 -6.021 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.833 -8.794 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.445 -8.108 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.596 -7.482 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.776 -8.921 -10.940 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.788 -8.534 -5.596 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.207 -9.208 -4.374 1.00 0.00 C ATOM 1273 C ALA A 80 -8.198 -8.250 -3.186 1.00 0.00 C ATOM 1274 O ALA A 80 -9.047 -8.335 -2.298 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.303 -10.400 -4.095 1.00 0.00 C ATOM 0 H ALA A 80 -6.858 -8.794 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.228 -9.561 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.626 -10.895 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.360 -11.102 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.275 -10.057 -3.979 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.230 -7.338 -3.181 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.088 -6.365 -2.100 1.00 0.00 C ATOM 1283 C LEU A 81 -8.175 -5.292 -2.147 1.00 0.00 C ATOM 1284 O LEU A 81 -8.767 -4.958 -1.121 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.707 -5.705 -2.160 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.530 -6.610 -1.783 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.260 -7.633 -2.877 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -3.287 -5.776 -1.512 1.00 0.00 C ATOM 0 H LEU A 81 -6.529 -7.252 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.196 -6.907 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.546 -5.330 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.707 -4.841 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.792 -7.150 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.420 -8.264 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.145 -8.252 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.021 -7.117 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.459 -6.433 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.027 -5.209 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.483 -5.087 -0.690 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.431 -4.751 -3.335 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.438 -3.705 -3.500 1.00 0.00 C ATOM 1302 C GLU A 82 -10.797 -4.153 -2.968 1.00 0.00 C ATOM 1303 O GLU A 82 -11.574 -3.339 -2.467 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.558 -3.298 -4.971 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.000 -4.428 -5.886 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.179 -3.979 -7.323 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.175 -3.947 -8.065 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.323 -3.656 -7.706 1.00 0.00 O ATOM 0 H GLU A 82 -7.956 -5.019 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.113 -2.841 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.269 -2.476 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.594 -2.921 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.263 -5.230 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.939 -4.842 -5.519 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.078 -5.448 -3.076 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.345 -5.998 -2.603 1.00 0.00 C ATOM 1317 C GLU A 83 -12.476 -5.842 -1.092 1.00 0.00 C ATOM 1318 O GLU A 83 -13.575 -5.657 -0.571 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.465 -7.472 -2.996 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.582 -7.688 -4.496 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.628 -9.156 -4.874 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -13.741 -9.721 -4.925 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -11.552 -9.738 -5.120 1.00 0.00 O ATOM 0 H GLU A 83 -10.447 -6.136 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.154 -5.441 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.593 -8.012 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.338 -7.902 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.483 -7.195 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.736 -7.215 -4.994 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.347 -5.919 -0.394 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.331 -5.781 1.059 1.00 0.00 C ATOM 1332 C LYS A 84 -11.886 -4.426 1.485 1.00 0.00 C ATOM 1333 O LYS A 84 -12.460 -4.295 2.567 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.907 -5.951 1.593 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.821 -5.936 3.111 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.389 -6.111 3.596 1.00 0.00 C ATOM 1337 CE LYS A 84 -7.960 -7.571 3.573 1.00 0.00 C ATOM 1338 NZ LYS A 84 -7.877 -8.112 2.188 1.00 0.00 N ATOM 0 H LYS A 84 -10.430 -6.076 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.966 -6.561 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.499 -6.892 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.280 -5.153 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.221 -4.995 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.443 -6.733 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.718 -5.525 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.298 -5.721 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.989 -7.670 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.668 -8.165 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.082 -8.780 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.763 -8.604 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.728 -7.330 1.518 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.709 -3.421 0.632 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.190 -2.074 0.923 1.00 0.00 C ATOM 1354 C LYS A 85 -13.685 -2.087 1.228 1.00 0.00 C ATOM 1355 O LYS A 85 -14.160 -1.323 2.070 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.900 -1.138 -0.256 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.076 0.338 0.072 1.00 0.00 C ATOM 1358 CD LYS A 85 -13.509 0.802 -0.150 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.690 2.260 0.248 1.00 0.00 C ATOM 1360 NZ LYS A 85 -15.089 2.724 0.041 1.00 0.00 N ATOM 0 H LYS A 85 -11.236 -3.514 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.662 -1.707 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.878 -1.305 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.559 -1.397 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.794 0.515 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.403 0.930 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.776 0.674 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.189 0.178 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.417 2.387 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.011 2.882 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.199 3.681 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.302 2.740 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.745 2.076 0.522 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.419 -2.960 0.543 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.860 -3.072 0.747 1.00 0.00 C ATOM 1376 C LYS A 86 -16.184 -3.312 2.218 1.00 0.00 C ATOM 1377 O LYS A 86 -17.131 -2.739 2.756 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.435 -4.210 -0.102 1.00 0.00 C ATOM 1379 CG LYS A 86 -17.941 -4.367 0.038 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.452 -5.595 -0.702 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.955 -6.884 -0.063 1.00 0.00 C ATOM 1382 NZ LYS A 86 -18.336 -6.978 1.374 1.00 0.00 N ATOM 0 H LYS A 86 -14.041 -3.599 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.316 -2.131 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.192 -4.031 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.952 -5.145 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.202 -4.444 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.437 -3.477 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.542 -5.589 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.127 -5.555 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.364 -7.738 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.870 -6.939 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.226 -7.960 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.722 -6.356 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.327 -6.684 1.490 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.392 -4.164 2.862 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.594 -4.477 4.272 1.00 0.00 C ATOM 1398 C GLU A 87 -15.131 -3.319 5.152 1.00 0.00 C ATOM 1399 O GLU A 87 -15.666 -3.100 6.237 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.840 -5.758 4.645 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.000 -6.156 6.104 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.242 -7.422 6.449 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.049 -7.322 6.804 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -14.841 -8.516 6.365 1.00 0.00 O ATOM 0 H GLU A 87 -14.606 -4.649 2.430 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.660 -4.634 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.192 -6.574 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.780 -5.622 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.650 -5.343 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.058 -6.299 6.324 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.136 -2.580 4.672 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.600 -1.442 5.410 1.00 0.00 C ATOM 1413 C ALA A 88 -14.681 -0.399 5.681 1.00 0.00 C ATOM 1414 O ALA A 88 -14.616 0.334 6.669 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.442 -0.819 4.645 1.00 0.00 C ATOM 0 H ALA A 88 -13.684 -2.749 3.773 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.236 -1.804 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.050 0.030 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.654 -1.560 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.791 -0.479 3.670 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.671 -0.339 4.794 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.770 0.612 4.931 1.00 0.00 C ATOM 1423 C GLU A 89 -17.423 0.507 6.306 1.00 0.00 C ATOM 1424 O GLU A 89 -17.540 1.499 7.026 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.816 0.371 3.841 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.270 0.501 2.430 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.329 0.263 1.372 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -18.504 -0.902 0.960 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.986 1.242 0.957 1.00 0.00 O ATOM 0 H GLU A 89 -15.734 -0.939 3.972 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.360 1.616 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.236 -0.627 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.633 1.080 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.847 1.497 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.457 -0.211 2.292 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.849 -0.701 6.664 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.492 -0.933 7.952 1.00 0.00 C ATOM 1438 C ARG A 90 -17.476 -0.892 9.091 1.00 0.00 C ATOM 1439 O ARG A 90 -17.845 -0.749 10.257 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.223 -2.278 7.948 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.326 -3.460 7.615 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.107 -4.764 7.598 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.669 -5.085 8.907 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.239 -6.251 9.200 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.318 -7.204 8.281 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.726 -6.464 10.415 1.00 0.00 N ATOM 0 H ARG A 90 -17.760 -1.533 6.081 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.217 -0.135 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.673 -2.440 8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -20.038 -2.237 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.859 -3.301 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.522 -3.526 8.348 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.911 -4.695 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.452 -5.574 7.277 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.622 -4.375 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.941 -7.044 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.756 -8.097 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -20.664 -5.734 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.163 -7.358 10.640 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.197 -1.017 8.747 1.00 0.00 N ATOM 1461 CA LYS A 91 -15.133 -0.987 9.745 1.00 0.00 C ATOM 1462 C LYS A 91 -14.900 0.434 10.247 1.00 0.00 C ATOM 1463 O LYS A 91 -14.413 0.639 11.360 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.834 -1.553 9.165 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.897 -3.042 8.869 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.573 -3.564 8.330 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.491 -3.551 9.398 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.861 -4.385 10.575 1.00 0.00 N ATOM 0 H LYS A 91 -15.873 -1.140 7.788 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.445 -1.607 10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.593 -1.018 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.021 -1.365 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.159 -3.583 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.687 -3.236 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.706 -4.580 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.258 -2.953 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.557 -3.918 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.313 -2.525 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.011 -4.587 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.551 -3.872 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.281 -5.279 10.249 1.00 0.00 H new ATOM 1482 N LEU A 92 -15.252 1.413 9.420 1.00 0.00 N ATOM 1483 CA LEU A 92 -15.084 2.816 9.779 1.00 0.00 C ATOM 1484 C LEU A 92 -16.387 3.404 10.309 1.00 0.00 C ATOM 1485 O LEU A 92 -16.475 4.603 10.574 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.603 3.624 8.569 1.00 0.00 C ATOM 1487 CG LEU A 92 -13.215 3.247 8.044 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.882 4.050 6.796 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.157 3.467 9.116 1.00 0.00 C ATOM 0 H LEU A 92 -15.656 1.260 8.496 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.333 2.873 10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.325 3.503 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.598 4.681 8.836 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.224 2.189 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.892 3.769 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.621 3.843 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.894 5.114 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.178 3.193 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.149 4.517 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.385 2.849 9.984 1.00 0.00 H new ATOM 1501 N MET A 93 -17.397 2.554 10.461 1.00 0.00 N ATOM 1502 CA MET A 93 -18.694 2.992 10.963 1.00 0.00 C ATOM 1503 C MET A 93 -18.686 3.066 12.487 1.00 0.00 C ATOM 1504 O MET A 93 -19.522 3.738 13.091 1.00 0.00 O ATOM 1505 CB MET A 93 -19.796 2.041 10.490 1.00 0.00 C ATOM 1506 CG MET A 93 -21.203 2.548 10.771 1.00 0.00 C ATOM 1507 SD MET A 93 -22.480 1.462 10.107 1.00 0.00 S ATOM 1508 CE MET A 93 -22.181 -0.029 11.051 1.00 0.00 C ATOM 0 H MET A 93 -17.342 1.559 10.244 1.00 0.00 H new ATOM 0 HA MET A 93 -18.893 3.988 10.569 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.686 1.876 9.418 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.663 1.075 10.977 1.00 0.00 H new ATOM 0 HG2 MET A 93 -21.340 2.648 11.848 1.00 0.00 H new ATOM 0 HG3 MET A 93 -21.319 3.543 10.341 1.00 0.00 H new ATOM 0 HE1 MET A 93 -23.052 -0.682 10.986 1.00 0.00 H new ATOM 0 HE2 MET A 93 -21.309 -0.545 10.649 1.00 0.00 H new ATOM 0 HE3 MET A 93 -22.000 0.231 12.094 1.00 0.00 H new ATOM 1518 N THR A 94 -17.731 2.373 13.101 1.00 0.00 N ATOM 1519 CA THR A 94 -17.607 2.360 14.554 1.00 0.00 C ATOM 1520 C THR A 94 -16.143 2.308 14.979 1.00 0.00 C ATOM 1521 O THR A 94 -15.301 1.754 14.270 1.00 0.00 O ATOM 1522 CB THR A 94 -18.352 1.162 15.173 1.00 0.00 C ATOM 1523 OG1 THR A 94 -18.213 1.183 16.599 1.00 0.00 O ATOM 1524 CG2 THR A 94 -17.817 -0.152 14.626 1.00 0.00 C ATOM 0 H THR A 94 -17.032 1.813 12.614 1.00 0.00 H new ATOM 0 HA THR A 94 -18.057 3.284 14.918 1.00 0.00 H new ATOM 0 HB THR A 94 -19.406 1.243 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.691 0.420 16.986 1.00 0.00 H new ATOM 0 HG21 THR A 94 -18.359 -0.982 15.079 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.951 -0.177 13.545 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.757 -0.240 14.862 1.00 0.00 H new ATOM 1532 N ASN A 95 -15.845 2.888 16.136 1.00 0.00 N ATOM 1533 CA ASN A 95 -14.482 2.908 16.655 1.00 0.00 C ATOM 1534 C ASN A 95 -14.214 1.686 17.530 1.00 0.00 C ATOM 1535 O ASN A 95 -13.721 0.672 16.992 1.00 0.00 O ATOM 1536 CB ASN A 95 -14.239 4.188 17.457 1.00 0.00 C ATOM 1537 CG ASN A 95 -14.453 5.442 16.630 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -14.868 6.477 17.151 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -14.171 5.356 15.335 1.00 0.00 N ATOM 1540 OXT ASN A 95 -14.499 1.753 18.744 1.00 0.00 O ATOM 0 H ASN A 95 -16.530 3.351 16.733 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.797 2.882 15.808 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.908 4.206 18.318 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -13.220 4.182 17.845 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.296 6.168 14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.829 4.478 14.945 1.00 0.00 H new TER 1547 ASN A 95