USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 98 SER OG : rot 180:sc= 0.0432 USER MOD Set 1.2: A 100 SER OG : rot 85:sc= 0.419 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.85 K(o=2.9,f=-4.2) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -149:sc= 1.1 (180deg=0) USER MOD Set 3.1: A 34 MET CE :methyl 149:sc= -0.79 (180deg=-2.02!) USER MOD Set 3.2: A 43 MET CE :methyl -161:sc=-0.00148 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A -2 GLY N :NH3+ -114:sc= 0.0391 (180deg=0) USER MOD Single : A 41 SER OG : rot 87:sc= 1.3 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.16) USER MOD Single : A 50 SER OG : rot 76:sc= 0.0442 USER MOD Single : A 51 HIS : no HD1:sc= 0.894 K(o=0.89,f=-4!) USER MOD Single : A 53 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.073) USER MOD Single : A 61 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.31) USER MOD Single : A 64 TYR OH : rot 50:sc= -0.19 USER MOD Single : A 66 SER OG : rot 68:sc= 0.879 USER MOD Single : A 68 THR OG1 : rot -165:sc= 0.51 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.713 K(o=-0.71,f=-9.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.165 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 88:sc= 1.3 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.48! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.279 -0.338 -5.465 1.00 0.00 N ATOM 2 CA GLY A -2 2.618 -1.139 -4.407 1.00 0.00 C ATOM 3 C GLY A -2 3.628 -1.813 -3.480 1.00 0.00 C ATOM 4 O GLY A -2 4.784 -2.030 -3.854 1.00 0.00 O ATOM 0 H1 GLY A -2 3.064 0.670 -5.323 1.00 0.00 H new ATOM 0 H2 GLY A -2 4.308 -0.483 -5.418 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.929 -0.638 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.963 -0.494 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A -2 1.987 -1.899 -4.869 1.00 0.00 H new ATOM 10 N HIS A -1 3.195 -2.167 -2.261 1.00 0.00 N ATOM 11 CA HIS A -1 4.057 -2.727 -1.206 1.00 0.00 C ATOM 12 C HIS A -1 3.460 -3.964 -0.514 1.00 0.00 C ATOM 13 O HIS A -1 4.099 -4.528 0.379 1.00 0.00 O ATOM 14 CB HIS A -1 4.388 -1.631 -0.180 1.00 0.00 C ATOM 15 CG HIS A -1 3.177 -1.094 0.556 1.00 0.00 C ATOM 16 ND1 HIS A -1 2.564 -1.680 1.669 1.00 0.00 N ATOM 17 CD2 HIS A -1 2.503 0.049 0.229 1.00 0.00 C ATOM 18 CE1 HIS A -1 1.534 -0.872 1.984 1.00 0.00 C ATOM 19 NE2 HIS A -1 1.475 0.171 1.136 1.00 0.00 N ATOM 0 H HIS A -1 2.221 -2.071 -1.975 1.00 0.00 H new ATOM 0 HA HIS A -1 4.970 -3.075 -1.689 1.00 0.00 H new ATOM 0 HB2 HIS A -1 5.096 -2.029 0.547 1.00 0.00 H new ATOM 0 HB3 HIS A -1 4.886 -0.807 -0.691 1.00 0.00 H new ATOM 0 HD2 HIS A -1 2.732 0.724 -0.582 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.850 -1.038 2.803 1.00 0.00 H new ATOM 0 HE2 HIS A -1 0.786 0.923 1.161 1.00 0.00 H new ATOM 27 N MET A 34 2.256 -4.406 -0.913 1.00 0.00 N ATOM 28 CA MET A 34 1.624 -5.591 -0.328 1.00 0.00 C ATOM 29 C MET A 34 2.468 -6.835 -0.661 1.00 0.00 C ATOM 30 O MET A 34 2.951 -6.975 -1.791 1.00 0.00 O ATOM 31 CB MET A 34 0.195 -5.757 -0.878 1.00 0.00 C ATOM 32 CG MET A 34 -0.779 -4.635 -0.473 1.00 0.00 C ATOM 33 SD MET A 34 -1.758 -3.901 -1.829 1.00 0.00 S ATOM 34 CE MET A 34 -3.368 -4.736 -1.696 1.00 0.00 C ATOM 0 H MET A 34 1.702 -3.956 -1.642 1.00 0.00 H new ATOM 0 HA MET A 34 1.566 -5.472 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.241 -5.806 -1.966 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.205 -6.710 -0.533 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.468 -5.030 0.274 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.208 -3.841 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.156 -4.062 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.367 -5.630 -2.320 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.547 -5.018 -0.658 1.00 0.00 H new ATOM 44 N LEU A 35 2.636 -7.741 0.311 1.00 0.00 N ATOM 45 CA LEU A 35 3.216 -9.074 0.079 1.00 0.00 C ATOM 46 C LEU A 35 2.155 -9.901 -0.656 1.00 0.00 C ATOM 47 O LEU A 35 0.998 -9.492 -0.679 1.00 0.00 O ATOM 48 CB LEU A 35 3.602 -9.757 1.413 1.00 0.00 C ATOM 49 CG LEU A 35 4.893 -9.268 2.113 1.00 0.00 C ATOM 50 CD1 LEU A 35 6.132 -9.413 1.222 1.00 0.00 C ATOM 51 CD2 LEU A 35 4.802 -7.828 2.633 1.00 0.00 C ATOM 0 H LEU A 35 2.374 -7.572 1.282 1.00 0.00 H new ATOM 0 HA LEU A 35 4.129 -8.992 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.773 -9.631 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.703 -10.826 1.228 1.00 0.00 H new ATOM 0 HG LEU A 35 4.999 -9.925 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.011 -9.056 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.269 -10.462 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.998 -8.825 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.742 -7.554 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.608 -7.152 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.991 -7.753 3.358 1.00 0.00 H new ATOM 63 N GLU A 36 2.477 -11.075 -1.215 1.00 0.00 N ATOM 64 CA GLU A 36 1.513 -11.815 -2.046 1.00 0.00 C ATOM 65 C GLU A 36 0.258 -12.163 -1.251 1.00 0.00 C ATOM 66 O GLU A 36 -0.849 -11.803 -1.646 1.00 0.00 O ATOM 67 CB GLU A 36 2.159 -13.065 -2.678 1.00 0.00 C ATOM 68 CG GLU A 36 1.193 -13.840 -3.582 1.00 0.00 C ATOM 69 CD GLU A 36 1.921 -14.975 -4.327 1.00 0.00 C ATOM 70 OE1 GLU A 36 1.996 -16.110 -3.795 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.427 -14.738 -5.452 1.00 0.00 O ATOM 0 H GLU A 36 3.384 -11.529 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 36 1.208 -11.165 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.031 -12.764 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.516 -13.724 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.383 -14.255 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.740 -13.160 -4.303 1.00 0.00 H new ATOM 78 N ALA A 37 0.429 -12.818 -0.104 1.00 0.00 N ATOM 79 CA ALA A 37 -0.711 -13.280 0.684 1.00 0.00 C ATOM 80 C ALA A 37 -1.483 -12.094 1.279 1.00 0.00 C ATOM 81 O ALA A 37 -2.704 -12.154 1.416 1.00 0.00 O ATOM 82 CB ALA A 37 -0.278 -14.272 1.763 1.00 0.00 C ATOM 0 H ALA A 37 1.340 -13.039 0.298 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.388 -13.811 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.150 -14.596 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.192 -15.137 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.434 -13.792 2.434 1.00 0.00 H new ATOM 88 N ASP A 38 -0.784 -11.003 1.605 1.00 0.00 N ATOM 89 CA ASP A 38 -1.409 -9.778 2.098 1.00 0.00 C ATOM 90 C ASP A 38 -2.232 -9.101 0.995 1.00 0.00 C ATOM 91 O ASP A 38 -3.362 -8.681 1.244 1.00 0.00 O ATOM 92 CB ASP A 38 -0.324 -8.825 2.613 1.00 0.00 C ATOM 93 CG ASP A 38 -0.934 -7.518 3.121 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.677 -7.557 4.129 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.666 -6.452 2.519 1.00 0.00 O ATOM 0 H ASP A 38 0.232 -10.947 1.534 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.086 -10.032 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.235 -9.305 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.386 -8.612 1.814 1.00 0.00 H new ATOM 100 N LEU A 39 -1.701 -9.048 -0.235 1.00 0.00 N ATOM 101 CA LEU A 39 -2.334 -8.436 -1.397 1.00 0.00 C ATOM 102 C LEU A 39 -3.651 -9.131 -1.664 1.00 0.00 C ATOM 103 O LEU A 39 -4.693 -8.478 -1.707 1.00 0.00 O ATOM 104 CB LEU A 39 -1.412 -8.522 -2.638 1.00 0.00 C ATOM 105 CG LEU A 39 -1.991 -7.894 -3.929 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.853 -7.375 -4.817 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.836 -8.865 -4.769 1.00 0.00 C ATOM 0 H LEU A 39 -0.786 -9.446 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.514 -7.380 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.468 -8.030 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.186 -9.571 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.644 -7.088 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.270 -6.935 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.284 -6.619 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.195 -8.201 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.206 -8.351 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.222 -9.714 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.680 -9.219 -4.177 1.00 0.00 H new ATOM 119 N VAL A 40 -3.596 -10.450 -1.827 1.00 0.00 N ATOM 120 CA VAL A 40 -4.760 -11.221 -2.208 1.00 0.00 C ATOM 121 C VAL A 40 -5.809 -11.129 -1.098 1.00 0.00 C ATOM 122 O VAL A 40 -6.973 -10.905 -1.414 1.00 0.00 O ATOM 123 CB VAL A 40 -4.358 -12.661 -2.617 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.356 -12.612 -3.783 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.778 -13.461 -1.448 1.00 0.00 C ATOM 0 H VAL A 40 -2.749 -11.004 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.226 -10.806 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.265 -13.176 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.077 -13.627 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.814 -12.110 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.466 -12.064 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.513 -14.462 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.888 -12.959 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.520 -13.533 -0.653 1.00 0.00 H new ATOM 135 N SER A 41 -5.413 -11.171 0.180 1.00 0.00 N ATOM 136 CA SER A 41 -6.344 -11.063 1.299 1.00 0.00 C ATOM 137 C SER A 41 -7.016 -9.689 1.353 1.00 0.00 C ATOM 138 O SER A 41 -8.242 -9.628 1.420 1.00 0.00 O ATOM 139 CB SER A 41 -5.637 -11.384 2.624 1.00 0.00 C ATOM 140 OG SER A 41 -5.073 -12.686 2.598 1.00 0.00 O ATOM 0 H SER A 41 -4.439 -11.281 0.462 1.00 0.00 H new ATOM 0 HA SER A 41 -7.133 -11.799 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.854 -10.649 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.348 -11.308 3.447 1.00 0.00 H new ATOM 0 HG SER A 41 -4.173 -12.645 2.212 1.00 0.00 H new ATOM 146 N LYS A 42 -6.269 -8.578 1.302 1.00 0.00 N ATOM 147 CA LYS A 42 -6.871 -7.236 1.377 1.00 0.00 C ATOM 148 C LYS A 42 -7.725 -6.954 0.149 1.00 0.00 C ATOM 149 O LYS A 42 -8.807 -6.400 0.302 1.00 0.00 O ATOM 150 CB LYS A 42 -5.776 -6.163 1.535 1.00 0.00 C ATOM 151 CG LYS A 42 -5.301 -6.082 2.993 1.00 0.00 C ATOM 152 CD LYS A 42 -4.205 -5.019 3.163 1.00 0.00 C ATOM 153 CE LYS A 42 -3.878 -4.697 4.633 1.00 0.00 C ATOM 154 NZ LYS A 42 -3.429 -5.878 5.415 1.00 0.00 N ATOM 0 H LYS A 42 -5.253 -8.579 1.210 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.519 -7.201 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.933 -6.398 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.161 -5.194 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.145 -5.844 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.921 -7.054 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.298 -5.362 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.518 -4.104 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.100 -3.934 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.762 -4.272 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.146 -5.575 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.208 -6.564 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.619 -6.323 4.938 1.00 0.00 H new ATOM 168 N MET A 43 -7.301 -7.342 -1.055 1.00 0.00 N ATOM 169 CA MET A 43 -8.094 -7.086 -2.257 1.00 0.00 C ATOM 170 C MET A 43 -9.354 -7.956 -2.253 1.00 0.00 C ATOM 171 O MET A 43 -10.437 -7.435 -2.495 1.00 0.00 O ATOM 172 CB MET A 43 -7.247 -7.280 -3.522 1.00 0.00 C ATOM 173 CG MET A 43 -6.199 -6.162 -3.664 1.00 0.00 C ATOM 174 SD MET A 43 -5.411 -6.083 -5.296 1.00 0.00 S ATOM 175 CE MET A 43 -4.270 -4.688 -5.100 1.00 0.00 C ATOM 0 H MET A 43 -6.421 -7.830 -1.223 1.00 0.00 H new ATOM 0 HA MET A 43 -8.419 -6.045 -2.257 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.748 -8.248 -3.484 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.894 -7.289 -4.399 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.676 -5.204 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.428 -6.304 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.979 -4.315 -6.082 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.761 -3.892 -4.541 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.383 -5.017 -4.559 1.00 0.00 H new ATOM 185 N LEU A 44 -9.256 -9.241 -1.884 1.00 0.00 N ATOM 186 CA LEU A 44 -10.402 -10.124 -1.636 1.00 0.00 C ATOM 187 C LEU A 44 -11.391 -9.426 -0.712 1.00 0.00 C ATOM 188 O LEU A 44 -12.551 -9.214 -1.061 1.00 0.00 O ATOM 189 CB LEU A 44 -9.873 -11.436 -1.009 1.00 0.00 C ATOM 190 CG LEU A 44 -10.916 -12.371 -0.390 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.742 -13.033 -1.484 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.237 -13.437 0.471 1.00 0.00 C ATOM 0 H LEU A 44 -8.358 -9.704 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.923 -10.358 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.335 -11.989 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.148 -11.176 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.576 -11.780 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.480 -13.695 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.252 -12.267 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.087 -13.611 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.994 -14.092 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.557 -14.025 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.675 -12.955 1.271 1.00 0.00 H new ATOM 204 N ARG A 45 -10.907 -9.030 0.461 1.00 0.00 N ATOM 205 CA ARG A 45 -11.659 -8.305 1.469 1.00 0.00 C ATOM 206 C ARG A 45 -12.321 -7.064 0.885 1.00 0.00 C ATOM 207 O ARG A 45 -13.495 -6.841 1.153 1.00 0.00 O ATOM 208 CB ARG A 45 -10.689 -8.025 2.624 1.00 0.00 C ATOM 209 CG ARG A 45 -11.101 -6.933 3.609 1.00 0.00 C ATOM 210 CD ARG A 45 -10.551 -5.538 3.262 1.00 0.00 C ATOM 211 NE ARG A 45 -10.402 -4.785 4.508 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.181 -3.486 4.699 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.947 -2.663 3.678 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.205 -3.047 5.951 1.00 0.00 N ATOM 0 H ARG A 45 -9.944 -9.214 0.742 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.497 -8.888 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.545 -8.951 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.722 -7.755 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.189 -6.884 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.759 -7.210 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.592 -5.623 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.228 -5.020 2.583 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.479 -5.340 5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.934 -3.024 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.780 -1.671 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.387 -3.697 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.041 -2.060 6.148 1.00 0.00 H new ATOM 228 N ALA A 46 -11.614 -6.266 0.090 1.00 0.00 N ATOM 229 CA ALA A 46 -12.171 -5.026 -0.418 1.00 0.00 C ATOM 230 C ALA A 46 -13.326 -5.299 -1.376 1.00 0.00 C ATOM 231 O ALA A 46 -14.361 -4.641 -1.266 1.00 0.00 O ATOM 232 CB ALA A 46 -11.078 -4.192 -1.093 1.00 0.00 C ATOM 0 H ALA A 46 -10.659 -6.458 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.568 -4.455 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.509 -3.264 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.297 -3.961 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.650 -4.756 -1.922 1.00 0.00 H new ATOM 238 N VAL A 47 -13.197 -6.295 -2.263 1.00 0.00 N ATOM 239 CA VAL A 47 -14.298 -6.685 -3.146 1.00 0.00 C ATOM 240 C VAL A 47 -15.495 -7.096 -2.282 1.00 0.00 C ATOM 241 O VAL A 47 -16.612 -6.644 -2.514 1.00 0.00 O ATOM 242 CB VAL A 47 -13.841 -7.812 -4.094 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.983 -8.346 -4.960 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.743 -7.319 -5.046 1.00 0.00 C ATOM 0 H VAL A 47 -12.344 -6.841 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.603 -5.849 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.470 -8.607 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.608 -9.137 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.770 -8.744 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.386 -7.537 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.439 -8.133 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.125 -6.492 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.884 -6.981 -4.467 1.00 0.00 H new ATOM 254 N LEU A 48 -15.263 -7.914 -1.254 1.00 0.00 N ATOM 255 CA LEU A 48 -16.322 -8.404 -0.379 1.00 0.00 C ATOM 256 C LEU A 48 -17.008 -7.266 0.382 1.00 0.00 C ATOM 257 O LEU A 48 -18.222 -7.326 0.573 1.00 0.00 O ATOM 258 CB LEU A 48 -15.728 -9.412 0.614 1.00 0.00 C ATOM 259 CG LEU A 48 -15.217 -10.696 -0.050 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.248 -11.380 0.907 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.362 -11.653 -0.338 1.00 0.00 C ATOM 0 H LEU A 48 -14.334 -8.254 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.079 -8.885 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.907 -8.939 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.486 -9.671 1.353 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.731 -10.436 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.873 -12.297 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.413 -10.712 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.764 -11.621 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.972 -12.555 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.859 -11.917 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.077 -11.174 -1.007 1.00 0.00 H new ATOM 273 N GLN A 49 -16.263 -6.244 0.820 1.00 0.00 N ATOM 274 CA GLN A 49 -16.837 -5.092 1.516 1.00 0.00 C ATOM 275 C GLN A 49 -17.733 -4.277 0.579 1.00 0.00 C ATOM 276 O GLN A 49 -18.803 -3.839 1.005 1.00 0.00 O ATOM 277 CB GLN A 49 -15.737 -4.202 2.137 1.00 0.00 C ATOM 278 CG GLN A 49 -15.055 -4.787 3.393 1.00 0.00 C ATOM 279 CD GLN A 49 -15.962 -4.896 4.626 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.155 -4.595 4.594 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.422 -5.335 5.751 1.00 0.00 N ATOM 0 H GLN A 49 -15.251 -6.194 0.702 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.453 -5.473 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.974 -4.014 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.174 -3.237 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.672 -5.779 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.196 -4.166 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.433 -5.585 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.994 -5.424 6.591 1.00 0.00 H new ATOM 290 N SER A 50 -17.345 -4.101 -0.691 1.00 0.00 N ATOM 291 CA SER A 50 -18.201 -3.460 -1.685 1.00 0.00 C ATOM 292 C SER A 50 -19.450 -4.305 -1.972 1.00 0.00 C ATOM 293 O SER A 50 -20.542 -3.757 -2.148 1.00 0.00 O ATOM 294 CB SER A 50 -17.413 -3.238 -2.981 1.00 0.00 C ATOM 295 OG SER A 50 -16.260 -2.445 -2.729 1.00 0.00 O ATOM 0 H SER A 50 -16.438 -4.397 -1.051 1.00 0.00 H new ATOM 0 HA SER A 50 -18.527 -2.500 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.117 -4.198 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.046 -2.747 -3.720 1.00 0.00 H new ATOM 0 HG SER A 50 -15.576 -2.993 -2.291 1.00 0.00 H new ATOM 301 N HIS A 51 -19.309 -5.634 -1.975 1.00 0.00 N ATOM 302 CA HIS A 51 -20.328 -6.566 -2.436 1.00 0.00 C ATOM 303 C HIS A 51 -21.065 -7.167 -1.239 1.00 0.00 C ATOM 304 O HIS A 51 -20.993 -8.369 -0.990 1.00 0.00 O ATOM 305 CB HIS A 51 -19.686 -7.617 -3.360 1.00 0.00 C ATOM 306 CG HIS A 51 -19.131 -7.066 -4.661 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.923 -5.719 -4.993 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.748 -7.834 -5.718 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.410 -5.725 -6.234 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.309 -6.978 -6.701 1.00 0.00 N ATOM 0 H HIS A 51 -18.461 -6.097 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.082 -6.049 -3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.880 -8.113 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.430 -8.379 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.782 -8.912 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.118 -4.841 -6.782 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.967 -7.249 -7.623 1.00 0.00 H new ATOM 318 N LYS A 52 -21.788 -6.332 -0.483 1.00 0.00 N ATOM 319 CA LYS A 52 -22.500 -6.743 0.740 1.00 0.00 C ATOM 320 C LYS A 52 -23.522 -7.858 0.522 1.00 0.00 C ATOM 321 O LYS A 52 -23.815 -8.596 1.461 1.00 0.00 O ATOM 322 CB LYS A 52 -23.206 -5.528 1.369 1.00 0.00 C ATOM 323 CG LYS A 52 -22.254 -4.473 1.950 1.00 0.00 C ATOM 324 CD LYS A 52 -21.395 -5.009 3.107 1.00 0.00 C ATOM 325 CE LYS A 52 -20.774 -3.800 3.833 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.936 -4.179 5.003 1.00 0.00 N ATOM 0 H LYS A 52 -21.898 -5.342 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.737 -7.144 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.834 -5.056 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.868 -5.878 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.600 -4.107 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.836 -3.621 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.004 -5.596 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.615 -5.670 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.165 -3.235 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.572 -3.137 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.982 -3.428 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.289 -5.069 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.950 -4.306 4.697 1.00 0.00 H new ATOM 340 N ASN A 53 -24.052 -8.009 -0.697 1.00 0.00 N ATOM 341 CA ASN A 53 -24.950 -9.111 -1.053 1.00 0.00 C ATOM 342 C ASN A 53 -24.251 -10.480 -0.996 1.00 0.00 C ATOM 343 O ASN A 53 -24.916 -11.516 -1.024 1.00 0.00 O ATOM 344 CB ASN A 53 -25.537 -8.856 -2.450 1.00 0.00 C ATOM 345 CG ASN A 53 -26.584 -9.896 -2.850 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.354 -10.737 -3.718 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.761 -9.869 -2.232 1.00 0.00 N ATOM 0 H ASN A 53 -23.868 -7.366 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.753 -9.144 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.989 -7.864 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.731 -8.857 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.481 -10.549 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.944 -9.169 -1.513 1.00 0.00 H new ATOM 354 N GLY A 54 -22.919 -10.498 -0.897 1.00 0.00 N ATOM 355 CA GLY A 54 -22.099 -11.686 -0.974 1.00 0.00 C ATOM 356 C GLY A 54 -21.867 -12.083 -2.428 1.00 0.00 C ATOM 357 O GLY A 54 -22.503 -11.560 -3.346 1.00 0.00 O ATOM 0 H GLY A 54 -22.372 -9.648 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.142 -11.507 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.583 -12.504 -0.441 1.00 0.00 H new ATOM 361 N ILE A 55 -20.930 -13.007 -2.642 1.00 0.00 N ATOM 362 CA ILE A 55 -20.535 -13.478 -3.966 1.00 0.00 C ATOM 363 C ILE A 55 -20.279 -14.972 -3.849 1.00 0.00 C ATOM 364 O ILE A 55 -19.502 -15.399 -3.005 1.00 0.00 O ATOM 365 CB ILE A 55 -19.321 -12.665 -4.510 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.343 -12.130 -3.431 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.799 -11.476 -5.350 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.199 -11.253 -3.972 1.00 0.00 C ATOM 0 H ILE A 55 -20.416 -13.456 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.321 -13.317 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.766 -13.388 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.910 -11.552 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.911 -12.978 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.936 -10.922 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.386 -11.839 -6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.415 -10.820 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.569 -10.926 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.601 -11.829 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.616 -10.381 -4.476 1.00 0.00 H new ATOM 380 N VAL A 56 -20.991 -15.766 -4.646 1.00 0.00 N ATOM 381 CA VAL A 56 -20.854 -17.223 -4.700 1.00 0.00 C ATOM 382 C VAL A 56 -19.424 -17.584 -5.106 1.00 0.00 C ATOM 383 O VAL A 56 -18.836 -16.839 -5.882 1.00 0.00 O ATOM 384 CB VAL A 56 -21.916 -17.811 -5.655 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.325 -17.677 -5.062 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.908 -17.170 -7.055 1.00 0.00 C ATOM 0 H VAL A 56 -21.697 -15.407 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.032 -17.662 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.648 -18.861 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.053 -18.099 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.373 -18.213 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.551 -16.624 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.679 -17.632 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.105 -16.102 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.934 -17.322 -7.519 1.00 0.00 H new ATOM 396 N LEU A 57 -18.859 -18.704 -4.648 1.00 0.00 N ATOM 397 CA LEU A 57 -17.440 -19.033 -4.884 1.00 0.00 C ATOM 398 C LEU A 57 -16.901 -18.876 -6.336 1.00 0.00 C ATOM 399 O LEU A 57 -15.752 -18.457 -6.452 1.00 0.00 O ATOM 400 CB LEU A 57 -16.980 -20.347 -4.215 1.00 0.00 C ATOM 401 CG LEU A 57 -17.377 -21.667 -4.914 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.632 -22.838 -4.271 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.879 -21.977 -4.856 1.00 0.00 C ATOM 0 H LEU A 57 -19.362 -19.407 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.947 -18.216 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.894 -20.322 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.378 -20.368 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.107 -21.536 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.915 -23.766 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.558 -22.686 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.891 -22.898 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.076 -22.919 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.194 -22.057 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.435 -21.176 -5.343 1.00 0.00 H new ATOM 415 N PRO A 58 -17.627 -19.126 -7.453 1.00 0.00 N ATOM 416 CA PRO A 58 -17.089 -18.805 -8.785 1.00 0.00 C ATOM 417 C PRO A 58 -17.156 -17.298 -9.085 1.00 0.00 C ATOM 418 O PRO A 58 -16.215 -16.715 -9.623 1.00 0.00 O ATOM 419 CB PRO A 58 -17.938 -19.621 -9.770 1.00 0.00 C ATOM 420 CG PRO A 58 -19.281 -19.789 -9.063 1.00 0.00 C ATOM 421 CD PRO A 58 -18.875 -19.877 -7.593 1.00 0.00 C ATOM 0 HA PRO A 58 -16.031 -19.058 -8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.052 -19.102 -10.722 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.479 -20.586 -9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.946 -18.946 -9.250 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.804 -20.687 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.651 -19.459 -6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.737 -20.915 -7.292 1.00 0.00 H new ATOM 429 N ARG A 59 -18.241 -16.630 -8.677 1.00 0.00 N ATOM 430 CA ARG A 59 -18.391 -15.173 -8.781 1.00 0.00 C ATOM 431 C ARG A 59 -17.333 -14.476 -7.928 1.00 0.00 C ATOM 432 O ARG A 59 -16.847 -13.416 -8.312 1.00 0.00 O ATOM 433 CB ARG A 59 -19.826 -14.784 -8.370 1.00 0.00 C ATOM 434 CG ARG A 59 -20.169 -13.338 -8.745 1.00 0.00 C ATOM 435 CD ARG A 59 -21.637 -12.990 -8.463 1.00 0.00 C ATOM 436 NE ARG A 59 -21.940 -11.621 -8.927 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.425 -11.255 -10.122 1.00 0.00 C ATOM 438 NH1 ARG A 59 -22.669 -12.155 -11.071 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.668 -9.972 -10.369 1.00 0.00 N ATOM 0 H ARG A 59 -19.050 -17.091 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.236 -14.847 -9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.534 -15.459 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.941 -14.915 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.524 -12.659 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.958 -13.181 -9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.290 -13.704 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.838 -13.072 -7.395 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.760 -10.868 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.487 -13.143 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.038 -11.857 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.485 -9.271 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.037 -9.688 -11.277 1.00 0.00 H new ATOM 453 N LEU A 60 -16.945 -15.089 -6.805 1.00 0.00 N ATOM 454 CA LEU A 60 -15.856 -14.625 -5.963 1.00 0.00 C ATOM 455 C LEU A 60 -14.610 -14.483 -6.826 1.00 0.00 C ATOM 456 O LEU A 60 -14.079 -13.384 -6.884 1.00 0.00 O ATOM 457 CB LEU A 60 -15.642 -15.569 -4.755 1.00 0.00 C ATOM 458 CG LEU A 60 -14.597 -15.136 -3.708 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.146 -15.321 -4.163 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.818 -13.698 -3.251 1.00 0.00 C ATOM 0 H LEU A 60 -17.392 -15.937 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.097 -13.651 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.599 -15.693 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.354 -16.548 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.752 -15.810 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.472 -14.994 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.965 -16.373 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.967 -14.728 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.062 -13.430 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.742 -13.028 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.808 -13.606 -2.805 1.00 0.00 H new ATOM 472 N GLN A 61 -14.186 -15.540 -7.540 1.00 0.00 N ATOM 473 CA GLN A 61 -13.014 -15.479 -8.416 1.00 0.00 C ATOM 474 C GLN A 61 -13.142 -14.351 -9.440 1.00 0.00 C ATOM 475 O GLN A 61 -12.183 -13.609 -9.619 1.00 0.00 O ATOM 476 CB GLN A 61 -12.759 -16.809 -9.158 1.00 0.00 C ATOM 477 CG GLN A 61 -11.954 -17.832 -8.349 1.00 0.00 C ATOM 478 CD GLN A 61 -11.552 -19.040 -9.214 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.398 -19.855 -9.573 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.274 -19.192 -9.566 1.00 0.00 N ATOM 0 H GLN A 61 -14.645 -16.451 -7.524 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.164 -15.284 -7.763 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.718 -17.250 -9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.229 -16.599 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.059 -17.357 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.545 -18.172 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.577 -18.511 -9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.994 -19.989 -10.137 1.00 0.00 H new ATOM 489 N GLY A 62 -14.296 -14.201 -10.098 1.00 0.00 N ATOM 490 CA GLY A 62 -14.474 -13.186 -11.135 1.00 0.00 C ATOM 491 C GLY A 62 -14.301 -11.770 -10.588 1.00 0.00 C ATOM 492 O GLY A 62 -13.529 -10.983 -11.135 1.00 0.00 O ATOM 0 H GLY A 62 -15.123 -14.774 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.754 -13.356 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.467 -13.286 -11.573 1.00 0.00 H new ATOM 496 N GLU A 63 -14.978 -11.437 -9.488 1.00 0.00 N ATOM 497 CA GLU A 63 -14.947 -10.080 -8.940 1.00 0.00 C ATOM 498 C GLU A 63 -13.592 -9.801 -8.275 1.00 0.00 C ATOM 499 O GLU A 63 -12.998 -8.735 -8.478 1.00 0.00 O ATOM 500 CB GLU A 63 -16.113 -9.893 -7.960 1.00 0.00 C ATOM 501 CG GLU A 63 -17.485 -9.973 -8.644 1.00 0.00 C ATOM 502 CD GLU A 63 -17.664 -8.878 -9.711 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.621 -7.679 -9.351 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.847 -9.212 -10.908 1.00 0.00 O ATOM 0 H GLU A 63 -15.556 -12.090 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.065 -9.358 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.054 -10.656 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.015 -8.927 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.602 -10.953 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.270 -9.879 -7.894 1.00 0.00 H new ATOM 511 N TYR A 64 -13.062 -10.791 -7.547 1.00 0.00 N ATOM 512 CA TYR A 64 -11.706 -10.778 -7.011 1.00 0.00 C ATOM 513 C TYR A 64 -10.727 -10.422 -8.126 1.00 0.00 C ATOM 514 O TYR A 64 -9.996 -9.443 -8.006 1.00 0.00 O ATOM 515 CB TYR A 64 -11.390 -12.148 -6.394 1.00 0.00 C ATOM 516 CG TYR A 64 -9.928 -12.398 -6.117 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.124 -12.959 -7.122 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.372 -12.075 -4.869 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.765 -13.183 -6.887 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.010 -12.318 -4.624 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.203 -12.878 -5.638 1.00 0.00 C ATOM 522 OH TYR A 64 -5.885 -13.121 -5.429 1.00 0.00 O ATOM 0 H TYR A 64 -13.579 -11.639 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.613 -10.026 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.944 -12.246 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.756 -12.925 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.556 -13.218 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.991 -11.640 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.144 -13.593 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.582 -12.077 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.361 -12.737 -6.163 1.00 0.00 H new ATOM 532 N ARG A 65 -10.768 -11.169 -9.233 1.00 0.00 N ATOM 533 CA ARG A 65 -9.849 -10.990 -10.344 1.00 0.00 C ATOM 534 C ARG A 65 -10.027 -9.627 -10.985 1.00 0.00 C ATOM 535 O ARG A 65 -9.036 -9.025 -11.398 1.00 0.00 O ATOM 536 CB ARG A 65 -10.029 -12.121 -11.362 1.00 0.00 C ATOM 537 CG ARG A 65 -9.035 -11.948 -12.520 1.00 0.00 C ATOM 538 CD ARG A 65 -8.796 -13.271 -13.231 1.00 0.00 C ATOM 539 NE ARG A 65 -7.567 -13.208 -14.033 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.460 -13.147 -15.369 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.546 -13.139 -16.143 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.255 -13.095 -15.928 1.00 0.00 N ATOM 0 H ARG A 65 -11.446 -11.917 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.828 -11.034 -9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.872 -13.085 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.050 -12.118 -11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.419 -11.214 -13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.091 -11.559 -12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.719 -14.075 -12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.645 -13.504 -13.873 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.690 -13.211 -13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.474 -13.180 -15.721 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.449 -13.092 -17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.420 -13.102 -15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.165 -13.048 -16.943 1.00 0.00 H new ATOM 556 N SER A 66 -11.258 -9.127 -11.061 1.00 0.00 N ATOM 557 CA SER A 66 -11.504 -7.798 -11.591 1.00 0.00 C ATOM 558 C SER A 66 -10.741 -6.735 -10.776 1.00 0.00 C ATOM 559 O SER A 66 -10.277 -5.757 -11.372 1.00 0.00 O ATOM 560 CB SER A 66 -13.011 -7.517 -11.655 1.00 0.00 C ATOM 561 OG SER A 66 -13.677 -8.466 -12.480 1.00 0.00 O ATOM 0 H SER A 66 -12.096 -9.625 -10.762 1.00 0.00 H new ATOM 0 HA SER A 66 -11.124 -7.747 -12.611 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.432 -7.546 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.180 -6.512 -12.042 1.00 0.00 H new ATOM 0 HG SER A 66 -13.647 -9.348 -12.054 1.00 0.00 H new ATOM 567 N LEU A 67 -10.556 -6.920 -9.455 1.00 0.00 N ATOM 568 CA LEU A 67 -9.692 -6.029 -8.674 1.00 0.00 C ATOM 569 C LEU A 67 -8.195 -6.398 -8.753 1.00 0.00 C ATOM 570 O LEU A 67 -7.380 -5.512 -9.018 1.00 0.00 O ATOM 571 CB LEU A 67 -10.162 -5.966 -7.208 1.00 0.00 C ATOM 572 CG LEU A 67 -9.358 -4.950 -6.359 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.405 -3.517 -6.905 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.905 -4.926 -4.929 1.00 0.00 C ATOM 0 H LEU A 67 -10.989 -7.670 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.784 -5.041 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.218 -5.698 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.073 -6.956 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.322 -5.286 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.820 -2.862 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.990 -3.498 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.438 -3.171 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.337 -4.210 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.955 -4.632 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.813 -5.918 -4.488 1.00 0.00 H new ATOM 586 N THR A 68 -7.807 -7.655 -8.512 1.00 0.00 N ATOM 587 CA THR A 68 -6.395 -8.031 -8.351 1.00 0.00 C ATOM 588 C THR A 68 -5.639 -8.122 -9.680 1.00 0.00 C ATOM 589 O THR A 68 -4.428 -7.864 -9.726 1.00 0.00 O ATOM 590 CB THR A 68 -6.302 -9.421 -7.704 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.152 -10.308 -8.403 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.714 -9.391 -6.238 1.00 0.00 C ATOM 0 H THR A 68 -8.456 -8.437 -8.423 1.00 0.00 H new ATOM 0 HA THR A 68 -5.947 -7.249 -7.738 1.00 0.00 H new ATOM 0 HB THR A 68 -5.265 -9.752 -7.756 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.285 -11.120 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.634 -10.393 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.059 -8.714 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.744 -9.044 -6.157 1.00 0.00 H new ATOM 600 N GLY A 69 -6.334 -8.487 -10.759 1.00 0.00 N ATOM 601 CA GLY A 69 -5.712 -8.849 -12.019 1.00 0.00 C ATOM 602 C GLY A 69 -5.095 -10.257 -11.927 1.00 0.00 C ATOM 603 O GLY A 69 -4.185 -10.563 -12.702 1.00 0.00 O ATOM 0 H GLY A 69 -7.353 -8.538 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.452 -8.821 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.940 -8.122 -12.273 1.00 0.00 H new ATOM 607 N ASP A 70 -5.542 -11.108 -10.986 1.00 0.00 N ATOM 608 CA ASP A 70 -5.001 -12.451 -10.741 1.00 0.00 C ATOM 609 C ASP A 70 -6.143 -13.409 -10.406 1.00 0.00 C ATOM 610 O ASP A 70 -7.237 -12.967 -10.061 1.00 0.00 O ATOM 611 CB ASP A 70 -3.991 -12.424 -9.576 1.00 0.00 C ATOM 612 CG ASP A 70 -3.104 -13.687 -9.502 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.075 -14.503 -10.457 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.413 -13.866 -8.469 1.00 0.00 O ATOM 0 H ASP A 70 -6.311 -10.871 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.488 -12.791 -11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.353 -11.547 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.534 -12.315 -8.637 1.00 0.00 H new ATOM 619 N TRP A 71 -5.919 -14.716 -10.496 1.00 0.00 N ATOM 620 CA TRP A 71 -6.841 -15.723 -9.997 1.00 0.00 C ATOM 621 C TRP A 71 -6.557 -15.939 -8.506 1.00 0.00 C ATOM 622 O TRP A 71 -5.462 -15.649 -8.018 1.00 0.00 O ATOM 623 CB TRP A 71 -6.645 -17.032 -10.771 1.00 0.00 C ATOM 624 CG TRP A 71 -7.056 -16.976 -12.211 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.239 -17.177 -13.266 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.371 -16.697 -12.779 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.949 -17.047 -14.442 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.270 -16.728 -14.200 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.631 -16.359 -12.235 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.367 -16.464 -15.037 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.723 -16.049 -13.065 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.602 -16.118 -14.464 1.00 0.00 C ATOM 0 H TRP A 71 -5.080 -15.108 -10.924 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.872 -15.395 -10.132 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.594 -17.315 -10.718 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.213 -17.820 -10.276 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.186 -17.406 -13.200 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.549 -17.171 -15.372 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.757 -16.338 -11.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.262 -16.526 -16.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.664 -15.755 -12.623 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.453 -15.906 -15.094 1.00 0.00 H new ATOM 643 N ILE A 72 -7.555 -16.448 -7.773 1.00 0.00 N ATOM 644 CA ILE A 72 -7.399 -16.804 -6.361 1.00 0.00 C ATOM 645 C ILE A 72 -6.221 -17.790 -6.266 1.00 0.00 C ATOM 646 O ILE A 72 -6.218 -18.785 -6.998 1.00 0.00 O ATOM 647 CB ILE A 72 -8.716 -17.419 -5.835 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.823 -16.354 -5.682 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.513 -18.216 -4.534 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.749 -15.501 -4.418 1.00 0.00 C ATOM 0 H ILE A 72 -8.489 -16.623 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.187 -15.931 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.049 -18.131 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.788 -15.692 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.790 -16.856 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.468 -18.627 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.809 -19.029 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.118 -17.557 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.573 -14.787 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.820 -16.144 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.802 -14.962 -4.398 1.00 0.00 H new ATOM 662 N PRO A 73 -5.246 -17.575 -5.366 1.00 0.00 N ATOM 663 CA PRO A 73 -4.056 -18.403 -5.276 1.00 0.00 C ATOM 664 C PRO A 73 -4.317 -19.641 -4.400 1.00 0.00 C ATOM 665 O PRO A 73 -3.478 -19.975 -3.568 1.00 0.00 O ATOM 666 CB PRO A 73 -2.983 -17.463 -4.712 1.00 0.00 C ATOM 667 CG PRO A 73 -3.802 -16.652 -3.718 1.00 0.00 C ATOM 668 CD PRO A 73 -5.120 -16.444 -4.455 1.00 0.00 C ATOM 0 HA PRO A 73 -3.739 -18.817 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.170 -18.007 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.535 -16.838 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.944 -17.187 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.321 -15.705 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.957 -16.408 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.119 -15.500 -5.000 1.00 0.00 H new ATOM 676 N PHE A 74 -5.488 -20.291 -4.498 1.00 0.00 N ATOM 677 CA PHE A 74 -5.878 -21.353 -3.570 1.00 0.00 C ATOM 678 C PHE A 74 -4.860 -22.486 -3.609 1.00 0.00 C ATOM 679 O PHE A 74 -4.136 -22.710 -2.641 1.00 0.00 O ATOM 680 CB PHE A 74 -7.323 -21.839 -3.801 1.00 0.00 C ATOM 681 CG PHE A 74 -7.620 -22.584 -5.096 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.801 -21.891 -6.309 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.711 -23.988 -5.076 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.090 -22.595 -7.488 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.021 -24.693 -6.254 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.211 -23.996 -7.461 1.00 0.00 C ATOM 0 H PHE A 74 -6.183 -20.094 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.875 -20.938 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.595 -22.489 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.980 -20.971 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.717 -20.815 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.543 -24.526 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.220 -22.060 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.113 -25.769 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.449 -24.536 -8.366 1.00 0.00 H new ATOM 696 N LYS A 75 -4.727 -23.150 -4.754 1.00 0.00 N ATOM 697 CA LYS A 75 -3.854 -24.305 -4.923 1.00 0.00 C ATOM 698 C LYS A 75 -2.382 -23.873 -4.895 1.00 0.00 C ATOM 699 O LYS A 75 -1.503 -24.647 -4.519 1.00 0.00 O ATOM 700 CB LYS A 75 -4.248 -24.964 -6.252 1.00 0.00 C ATOM 701 CG LYS A 75 -3.692 -26.390 -6.387 1.00 0.00 C ATOM 702 CD LYS A 75 -4.202 -27.057 -7.672 1.00 0.00 C ATOM 703 CE LYS A 75 -3.594 -28.461 -7.816 1.00 0.00 C ATOM 704 NZ LYS A 75 -4.066 -29.159 -9.044 1.00 0.00 N ATOM 0 H LYS A 75 -5.231 -22.896 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.969 -25.021 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.335 -24.992 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.883 -24.355 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.602 -26.361 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.988 -26.984 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.290 -27.124 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.938 -26.448 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.507 -28.383 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.851 -29.057 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.629 -30.101 -9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.101 -29.259 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.798 -28.605 -9.883 1.00 0.00 H new ATOM 718 N GLN A 76 -2.133 -22.620 -5.275 1.00 0.00 N ATOM 719 CA GLN A 76 -0.831 -22.000 -5.381 1.00 0.00 C ATOM 720 C GLN A 76 -0.259 -21.767 -3.967 1.00 0.00 C ATOM 721 O GLN A 76 0.933 -21.996 -3.747 1.00 0.00 O ATOM 722 CB GLN A 76 -0.973 -20.690 -6.191 1.00 0.00 C ATOM 723 CG GLN A 76 -1.590 -20.840 -7.612 1.00 0.00 C ATOM 724 CD GLN A 76 -3.124 -20.702 -7.687 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.861 -21.277 -6.899 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.678 -19.937 -8.616 1.00 0.00 N ATOM 0 H GLN A 76 -2.886 -21.981 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.128 -22.644 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.588 -19.995 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.013 -20.236 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.143 -20.090 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.310 -21.816 -8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.090 -19.444 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.693 -19.841 -8.659 1.00 0.00 H new ATOM 735 N LEU A 77 -1.099 -21.369 -3.000 1.00 0.00 N ATOM 736 CA LEU A 77 -0.747 -21.279 -1.578 1.00 0.00 C ATOM 737 C LEU A 77 -0.846 -22.645 -0.883 1.00 0.00 C ATOM 738 O LEU A 77 -0.138 -22.868 0.100 1.00 0.00 O ATOM 739 CB LEU A 77 -1.631 -20.242 -0.856 1.00 0.00 C ATOM 740 CG LEU A 77 -1.332 -18.776 -1.241 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.359 -17.829 -0.600 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.073 -18.315 -0.829 1.00 0.00 C ATOM 0 H LEU A 77 -2.063 -21.095 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 77 0.291 -20.950 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.677 -20.457 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.501 -20.357 0.220 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.394 -18.738 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.132 -16.801 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.359 -18.088 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.315 -17.925 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.218 -17.277 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.181 -18.399 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.819 -18.941 -1.318 1.00 0.00 H new ATOM 754 N GLY A 78 -1.664 -23.568 -1.402 1.00 0.00 N ATOM 755 CA GLY A 78 -1.713 -24.963 -0.965 1.00 0.00 C ATOM 756 C GLY A 78 -3.056 -25.370 -0.352 1.00 0.00 C ATOM 757 O GLY A 78 -3.159 -26.453 0.226 1.00 0.00 O ATOM 0 H GLY A 78 -2.323 -23.359 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.502 -25.609 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.923 -25.133 -0.233 1.00 0.00 H new ATOM 761 N TYR A 79 -4.088 -24.532 -0.483 1.00 0.00 N ATOM 762 CA TYR A 79 -5.456 -24.857 -0.096 1.00 0.00 C ATOM 763 C TYR A 79 -6.039 -25.728 -1.212 1.00 0.00 C ATOM 764 O TYR A 79 -5.817 -25.412 -2.386 1.00 0.00 O ATOM 765 CB TYR A 79 -6.266 -23.564 0.033 1.00 0.00 C ATOM 766 CG TYR A 79 -5.609 -22.570 0.967 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.686 -22.763 2.354 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.916 -21.466 0.448 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.053 -21.860 3.225 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.292 -20.553 1.309 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.355 -20.745 2.707 1.00 0.00 C ATOM 772 OH TYR A 79 -3.737 -19.853 3.538 1.00 0.00 O ATOM 0 H TYR A 79 -3.990 -23.593 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.486 -25.380 0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.385 -23.112 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.266 -23.798 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.232 -23.605 2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.863 -21.319 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.100 -22.018 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.763 -19.703 0.904 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.307 -19.152 3.004 1.00 0.00 H new ATOM 782 N PRO A 80 -6.794 -26.796 -0.911 1.00 0.00 N ATOM 783 CA PRO A 80 -7.239 -27.717 -1.946 1.00 0.00 C ATOM 784 C PRO A 80 -8.280 -27.105 -2.886 1.00 0.00 C ATOM 785 O PRO A 80 -8.360 -27.522 -4.044 1.00 0.00 O ATOM 786 CB PRO A 80 -7.798 -28.927 -1.192 1.00 0.00 C ATOM 787 CG PRO A 80 -8.233 -28.344 0.154 1.00 0.00 C ATOM 788 CD PRO A 80 -7.141 -27.304 0.408 1.00 0.00 C ATOM 0 HA PRO A 80 -6.413 -27.988 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.636 -29.378 -1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.044 -29.705 -1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.224 -27.893 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.267 -29.102 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.499 -26.505 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.277 -27.751 0.899 1.00 0.00 H new ATOM 796 N THR A 81 -9.068 -26.129 -2.419 1.00 0.00 N ATOM 797 CA THR A 81 -10.222 -25.620 -3.142 1.00 0.00 C ATOM 798 C THR A 81 -10.376 -24.120 -2.890 1.00 0.00 C ATOM 799 O THR A 81 -9.776 -23.566 -1.960 1.00 0.00 O ATOM 800 CB THR A 81 -11.462 -26.402 -2.658 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.472 -26.360 -1.242 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.472 -27.869 -3.097 1.00 0.00 C ATOM 0 H THR A 81 -8.915 -25.672 -1.520 1.00 0.00 H new ATOM 0 HA THR A 81 -10.101 -25.757 -4.217 1.00 0.00 H new ATOM 0 HB THR A 81 -12.340 -25.933 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.154 -26.976 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.372 -28.355 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.458 -27.923 -4.186 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.593 -28.374 -2.697 1.00 0.00 H new ATOM 810 N LEU A 82 -11.222 -23.466 -3.695 1.00 0.00 N ATOM 811 CA LEU A 82 -11.605 -22.072 -3.483 1.00 0.00 C ATOM 812 C LEU A 82 -12.250 -21.936 -2.115 1.00 0.00 C ATOM 813 O LEU A 82 -11.924 -21.009 -1.378 1.00 0.00 O ATOM 814 CB LEU A 82 -12.609 -21.591 -4.560 1.00 0.00 C ATOM 815 CG LEU A 82 -12.064 -21.301 -5.975 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.932 -20.274 -5.926 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.575 -22.554 -6.704 1.00 0.00 C ATOM 0 H LEU A 82 -11.659 -23.893 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.707 -21.458 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.390 -22.346 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.085 -20.682 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.907 -20.901 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.566 -20.088 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.303 -19.343 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.119 -20.658 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.205 -22.279 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.771 -23.018 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.400 -23.259 -6.808 1.00 0.00 H new ATOM 829 N GLU A 83 -13.138 -22.870 -1.758 1.00 0.00 N ATOM 830 CA GLU A 83 -13.781 -22.818 -0.457 1.00 0.00 C ATOM 831 C GLU A 83 -12.713 -22.903 0.628 1.00 0.00 C ATOM 832 O GLU A 83 -12.752 -22.075 1.523 1.00 0.00 O ATOM 833 CB GLU A 83 -14.910 -23.856 -0.306 1.00 0.00 C ATOM 834 CG GLU A 83 -14.464 -25.317 -0.203 1.00 0.00 C ATOM 835 CD GLU A 83 -15.654 -26.267 0.011 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.309 -26.670 -0.980 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.928 -26.618 1.187 1.00 0.00 O ATOM 0 H GLU A 83 -13.419 -23.655 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.294 -21.862 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.488 -23.609 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.582 -23.760 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.933 -25.599 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.761 -25.424 0.623 1.00 0.00 H new ATOM 844 N ALA A 84 -11.723 -23.799 0.541 1.00 0.00 N ATOM 845 CA ALA A 84 -10.712 -23.955 1.589 1.00 0.00 C ATOM 846 C ALA A 84 -9.872 -22.691 1.754 1.00 0.00 C ATOM 847 O ALA A 84 -9.611 -22.277 2.882 1.00 0.00 O ATOM 848 CB ALA A 84 -9.833 -25.166 1.287 1.00 0.00 C ATOM 0 H ALA A 84 -11.602 -24.430 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.225 -24.121 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.083 -25.276 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.451 -26.063 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.336 -25.025 0.327 1.00 0.00 H new ATOM 854 N TYR A 85 -9.498 -22.039 0.652 1.00 0.00 N ATOM 855 CA TYR A 85 -8.865 -20.726 0.699 1.00 0.00 C ATOM 856 C TYR A 85 -9.746 -19.737 1.473 1.00 0.00 C ATOM 857 O TYR A 85 -9.266 -19.068 2.388 1.00 0.00 O ATOM 858 CB TYR A 85 -8.562 -20.251 -0.727 1.00 0.00 C ATOM 859 CG TYR A 85 -8.142 -18.799 -0.814 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.820 -18.426 -0.512 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.080 -17.821 -1.191 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.423 -17.078 -0.583 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.696 -16.469 -1.249 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.359 -16.092 -0.970 1.00 0.00 C ATOM 865 OH TYR A 85 -6.964 -14.792 -1.071 1.00 0.00 O ATOM 0 H TYR A 85 -9.626 -22.406 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.917 -20.789 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.772 -20.873 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.447 -20.401 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.103 -19.181 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.092 -18.107 -1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.408 -16.798 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.424 -15.714 -1.508 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.725 -14.240 -1.348 1.00 0.00 H new ATOM 875 N LEU A 86 -11.047 -19.683 1.167 1.00 0.00 N ATOM 876 CA LEU A 86 -11.984 -18.768 1.818 1.00 0.00 C ATOM 877 C LEU A 86 -12.237 -19.135 3.293 1.00 0.00 C ATOM 878 O LEU A 86 -12.372 -18.238 4.123 1.00 0.00 O ATOM 879 CB LEU A 86 -13.292 -18.730 1.007 1.00 0.00 C ATOM 880 CG LEU A 86 -13.136 -18.131 -0.402 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.260 -18.623 -1.321 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.132 -16.603 -0.339 1.00 0.00 C ATOM 0 H LEU A 86 -11.479 -20.276 0.458 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.541 -17.772 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.683 -19.744 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.032 -18.150 1.558 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.182 -18.462 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.134 -18.190 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.222 -19.710 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.224 -18.319 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.021 -16.198 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.071 -16.254 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.301 -16.267 0.282 1.00 0.00 H new ATOM 894 N ARG A 87 -12.246 -20.428 3.654 1.00 0.00 N ATOM 895 CA ARG A 87 -12.283 -20.884 5.065 1.00 0.00 C ATOM 896 C ARG A 87 -11.079 -20.327 5.834 1.00 0.00 C ATOM 897 O ARG A 87 -11.210 -20.006 7.009 1.00 0.00 O ATOM 898 CB ARG A 87 -12.235 -22.426 5.225 1.00 0.00 C ATOM 899 CG ARG A 87 -13.553 -23.227 5.179 1.00 0.00 C ATOM 900 CD ARG A 87 -14.079 -23.439 3.757 1.00 0.00 C ATOM 901 NE ARG A 87 -14.987 -24.589 3.560 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.155 -24.881 4.152 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.615 -24.194 5.197 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.874 -25.885 3.671 1.00 0.00 N ATOM 0 H ARG A 87 -12.228 -21.193 2.979 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.233 -20.519 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.585 -22.817 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.752 -22.643 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.398 -24.197 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.309 -22.705 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.601 -22.534 3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.225 -23.559 3.090 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.677 -25.267 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.074 -23.416 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.508 -24.446 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.536 -26.416 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.766 -26.127 4.103 1.00 0.00 H new ATOM 918 N SER A 88 -9.920 -20.243 5.184 1.00 0.00 N ATOM 919 CA SER A 88 -8.632 -19.942 5.809 1.00 0.00 C ATOM 920 C SER A 88 -8.381 -18.447 6.082 1.00 0.00 C ATOM 921 O SER A 88 -7.255 -18.074 6.419 1.00 0.00 O ATOM 922 CB SER A 88 -7.531 -20.581 4.962 1.00 0.00 C ATOM 923 OG SER A 88 -7.773 -21.979 4.849 1.00 0.00 O ATOM 0 H SER A 88 -9.848 -20.387 4.177 1.00 0.00 H new ATOM 0 HA SER A 88 -8.635 -20.374 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.506 -20.124 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.557 -20.405 5.419 1.00 0.00 H new ATOM 0 HG SER A 88 -8.363 -22.148 4.085 1.00 0.00 H new ATOM 929 N VAL A 89 -9.397 -17.580 5.971 1.00 0.00 N ATOM 930 CA VAL A 89 -9.293 -16.138 6.247 1.00 0.00 C ATOM 931 C VAL A 89 -10.419 -15.667 7.211 1.00 0.00 C ATOM 932 O VAL A 89 -11.011 -14.605 7.006 1.00 0.00 O ATOM 933 CB VAL A 89 -9.147 -15.407 4.883 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.252 -15.771 3.879 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.979 -13.882 4.971 1.00 0.00 C ATOM 0 H VAL A 89 -10.332 -17.866 5.681 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.400 -15.875 6.814 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.200 -15.791 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.092 -15.227 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.226 -16.843 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.223 -15.502 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.885 -13.468 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.849 -13.448 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.083 -13.647 5.545 1.00 0.00 H new ATOM 945 N PRO A 90 -10.742 -16.398 8.300 1.00 0.00 N ATOM 946 CA PRO A 90 -11.927 -16.113 9.107 1.00 0.00 C ATOM 947 C PRO A 90 -11.835 -14.801 9.907 1.00 0.00 C ATOM 948 O PRO A 90 -12.858 -14.290 10.365 1.00 0.00 O ATOM 949 CB PRO A 90 -12.092 -17.325 10.026 1.00 0.00 C ATOM 950 CG PRO A 90 -10.657 -17.797 10.248 1.00 0.00 C ATOM 951 CD PRO A 90 -9.974 -17.480 8.919 1.00 0.00 C ATOM 0 HA PRO A 90 -12.792 -15.960 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.576 -17.055 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.703 -18.100 9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.185 -17.272 11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.615 -18.862 10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.939 -17.178 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.954 -18.359 8.274 1.00 0.00 H new ATOM 959 N ALA A 91 -10.625 -14.247 10.085 1.00 0.00 N ATOM 960 CA ALA A 91 -10.424 -12.996 10.819 1.00 0.00 C ATOM 961 C ALA A 91 -10.728 -11.758 9.963 1.00 0.00 C ATOM 962 O ALA A 91 -10.749 -10.648 10.499 1.00 0.00 O ATOM 963 CB ALA A 91 -8.984 -12.947 11.345 1.00 0.00 C ATOM 0 H ALA A 91 -9.763 -14.656 9.724 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.127 -12.977 11.652 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.828 -12.018 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.810 -13.793 12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.289 -12.995 10.507 1.00 0.00 H new ATOM 969 N VAL A 92 -10.937 -11.918 8.649 1.00 0.00 N ATOM 970 CA VAL A 92 -11.082 -10.803 7.704 1.00 0.00 C ATOM 971 C VAL A 92 -12.265 -11.041 6.755 1.00 0.00 C ATOM 972 O VAL A 92 -12.828 -10.086 6.207 1.00 0.00 O ATOM 973 CB VAL A 92 -9.746 -10.597 6.945 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.737 -9.288 6.149 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.507 -10.580 7.862 1.00 0.00 C ATOM 0 H VAL A 92 -11.011 -12.835 8.208 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.305 -9.886 8.249 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.685 -11.459 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.783 -9.183 5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.546 -9.301 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.876 -8.448 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.611 -10.432 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.599 -9.767 8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.434 -11.529 8.393 1.00 0.00 H new ATOM 985 N VAL A 93 -12.700 -12.287 6.582 1.00 0.00 N ATOM 986 CA VAL A 93 -13.689 -12.726 5.602 1.00 0.00 C ATOM 987 C VAL A 93 -14.637 -13.711 6.310 1.00 0.00 C ATOM 988 O VAL A 93 -14.340 -14.224 7.386 1.00 0.00 O ATOM 989 CB VAL A 93 -12.915 -13.311 4.395 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.697 -14.178 3.396 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.206 -12.182 3.619 1.00 0.00 C ATOM 0 H VAL A 93 -12.353 -13.058 7.152 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.316 -11.926 5.209 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.219 -14.003 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.027 -14.517 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.115 -15.042 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.505 -13.591 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.665 -12.606 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.947 -11.469 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.504 -11.672 4.279 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.804 -13.939 5.710 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.889 -14.768 6.231 1.00 0.00 C ATOM 1003 C ARG A 94 -17.430 -15.549 5.053 1.00 0.00 C ATOM 1004 O ARG A 94 -17.321 -15.090 3.919 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.939 -13.854 6.901 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.252 -14.559 7.295 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.234 -13.619 8.003 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.801 -12.605 7.085 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.044 -12.601 6.575 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.841 -13.660 6.691 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.489 -11.519 5.946 1.00 0.00 N ATOM 0 H ARG A 94 -16.029 -13.531 4.803 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.566 -15.472 6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.498 -13.412 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.173 -13.034 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.724 -14.966 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.026 -15.402 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.044 -14.204 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.724 -13.117 8.825 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.189 -11.835 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.512 -14.496 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.781 -13.636 6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.888 -10.700 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.431 -11.507 5.556 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.029 -16.702 5.296 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.670 -17.500 4.260 1.00 0.00 C ATOM 1027 C ILE A 95 -19.946 -18.113 4.839 1.00 0.00 C ATOM 1028 O ILE A 95 -20.031 -18.363 6.042 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.695 -18.568 3.715 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.178 -19.524 4.808 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.514 -17.923 2.970 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.212 -20.594 4.288 1.00 0.00 C ATOM 0 H ILE A 95 -18.086 -17.116 6.226 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.943 -16.873 3.411 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.272 -19.167 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.677 -18.941 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.029 -20.015 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.848 -18.702 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.889 -17.338 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -15.967 -17.271 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.892 -21.228 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.714 -21.204 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.342 -20.113 3.842 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.912 -18.384 3.966 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.148 -19.075 4.287 1.00 0.00 C ATOM 1046 C GLU A 96 -22.276 -20.181 3.238 1.00 0.00 C ATOM 1047 O GLU A 96 -22.605 -19.915 2.081 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.345 -18.098 4.260 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.215 -16.877 5.192 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.104 -17.191 6.695 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.549 -18.270 7.156 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -22.566 -16.326 7.434 1.00 0.00 O ATOM 0 H GLU A 96 -20.850 -18.118 2.983 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.140 -19.494 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.481 -17.743 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.248 -18.646 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.335 -16.307 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.080 -16.232 5.038 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.940 -21.418 3.613 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.188 -22.591 2.781 1.00 0.00 C ATOM 1061 C ALA A 97 -23.676 -22.929 2.899 1.00 0.00 C ATOM 1062 O ALA A 97 -24.188 -23.158 4.001 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.304 -23.758 3.233 1.00 0.00 C ATOM 0 H ALA A 97 -21.489 -21.631 4.502 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.939 -22.393 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.499 -24.627 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.255 -23.475 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.528 -24.004 4.271 1.00 0.00 H new ATOM 1069 N SER A 98 -24.377 -22.906 1.766 1.00 0.00 N ATOM 1070 CA SER A 98 -25.776 -23.267 1.681 1.00 0.00 C ATOM 1071 C SER A 98 -25.904 -24.785 1.828 1.00 0.00 C ATOM 1072 O SER A 98 -25.005 -25.545 1.448 1.00 0.00 O ATOM 1073 CB SER A 98 -26.327 -22.781 0.332 1.00 0.00 C ATOM 1074 OG SER A 98 -27.697 -23.122 0.193 1.00 0.00 O ATOM 0 H SER A 98 -23.974 -22.630 0.871 1.00 0.00 H new ATOM 0 HA SER A 98 -26.353 -22.798 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.207 -21.700 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.753 -23.225 -0.481 1.00 0.00 H new ATOM 0 HG SER A 98 -28.028 -22.802 -0.672 1.00 0.00 H new ATOM 1080 N ARG A 99 -27.076 -25.230 2.290 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.442 -26.648 2.299 1.00 0.00 C ATOM 1082 C ARG A 99 -27.488 -27.235 0.887 1.00 0.00 C ATOM 1083 O ARG A 99 -27.344 -28.448 0.726 1.00 0.00 O ATOM 1084 CB ARG A 99 -28.742 -26.876 3.098 1.00 0.00 C ATOM 1085 CG ARG A 99 -30.048 -26.263 2.550 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.701 -27.056 1.406 1.00 0.00 C ATOM 1087 NE ARG A 99 -32.136 -26.723 1.290 1.00 0.00 N ATOM 1088 CZ ARG A 99 -32.726 -25.888 0.421 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -32.026 -25.256 -0.520 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -34.037 -25.688 0.500 1.00 0.00 N ATOM 0 H ARG A 99 -27.798 -24.616 2.668 1.00 0.00 H new ATOM 0 HA ARG A 99 -26.657 -27.199 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -28.892 -27.952 3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -28.588 -26.487 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -30.763 -26.176 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -29.840 -25.252 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -30.194 -26.833 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -30.584 -28.125 1.585 1.00 0.00 H new ATOM 0 HE ARG A 99 -32.756 -27.186 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -31.019 -25.402 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -32.497 -24.626 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -34.584 -26.167 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -34.497 -25.056 -0.155 1.00 0.00 H new ATOM 1104 N SER A 100 -27.666 -26.393 -0.141 1.00 0.00 N ATOM 1105 CA SER A 100 -27.640 -26.810 -1.539 1.00 0.00 C ATOM 1106 C SER A 100 -26.225 -27.189 -2.014 1.00 0.00 C ATOM 1107 O SER A 100 -26.086 -27.796 -3.079 1.00 0.00 O ATOM 1108 CB SER A 100 -28.220 -25.683 -2.404 1.00 0.00 C ATOM 1109 OG SER A 100 -29.433 -25.189 -1.845 1.00 0.00 O ATOM 0 H SER A 100 -27.833 -25.394 -0.018 1.00 0.00 H new ATOM 0 HA SER A 100 -28.248 -27.709 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.496 -24.872 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.403 -26.051 -3.414 1.00 0.00 H new ATOM 0 HG SER A 100 -29.228 -24.516 -1.163 1.00 0.00 H new ATOM 1115 N GLY A 101 -25.177 -26.835 -1.255 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.787 -27.164 -1.559 1.00 0.00 C ATOM 1117 C GLY A 101 -23.015 -26.000 -2.187 1.00 0.00 C ATOM 1118 O GLY A 101 -21.798 -26.098 -2.364 1.00 0.00 O ATOM 0 H GLY A 101 -25.281 -26.299 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.284 -27.472 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.762 -28.016 -2.238 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.687 -24.888 -2.512 1.00 0.00 N ATOM 1123 CA GLU A 102 -23.018 -23.652 -2.907 1.00 0.00 C ATOM 1124 C GLU A 102 -22.428 -23.008 -1.647 1.00 0.00 C ATOM 1125 O GLU A 102 -22.822 -23.337 -0.525 1.00 0.00 O ATOM 1126 CB GLU A 102 -24.023 -22.697 -3.581 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.566 -23.226 -4.923 1.00 0.00 C ATOM 1128 CD GLU A 102 -23.453 -23.472 -5.962 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -22.717 -22.513 -6.304 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -23.307 -24.620 -6.442 1.00 0.00 O ATOM 0 H GLU A 102 -24.705 -24.825 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 102 -22.224 -23.863 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.858 -22.523 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.542 -21.733 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -25.107 -24.156 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.283 -22.511 -5.327 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.531 -22.037 -1.813 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.045 -21.197 -0.725 1.00 0.00 C ATOM 1139 C ILE A 103 -21.005 -19.771 -1.233 1.00 0.00 C ATOM 1140 O ILE A 103 -20.594 -19.520 -2.366 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.719 -21.737 -0.119 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.026 -20.738 0.838 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.704 -22.332 -1.102 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.074 -19.735 0.164 1.00 0.00 C ATOM 0 H ILE A 103 -21.118 -21.811 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.720 -21.219 0.131 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.080 -22.587 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.794 -20.181 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.465 -21.303 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.824 -22.672 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.155 -23.176 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.410 -21.572 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.640 -19.081 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.278 -20.276 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.628 -19.137 -0.559 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.424 -18.846 -0.373 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.497 -17.420 -0.626 1.00 0.00 C ATOM 1158 C VAL A 104 -20.466 -16.776 0.300 1.00 0.00 C ATOM 1159 O VAL A 104 -20.385 -17.132 1.473 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.940 -16.922 -0.370 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.128 -15.520 -0.973 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.019 -17.860 -0.951 1.00 0.00 C ATOM 0 H VAL A 104 -21.737 -19.090 0.567 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.271 -17.158 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.068 -16.901 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.146 -15.178 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.423 -14.828 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.948 -15.559 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.008 -17.454 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.886 -17.943 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.926 -18.847 -0.497 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.651 -15.872 -0.232 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.530 -15.262 0.480 1.00 0.00 C ATOM 1174 C CYS A 105 -18.912 -13.847 0.899 1.00 0.00 C ATOM 1175 O CYS A 105 -19.616 -13.174 0.148 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.304 -15.211 -0.446 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.126 -16.727 -1.438 1.00 0.00 S ATOM 0 H CYS A 105 -19.752 -15.535 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.291 -15.853 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.389 -14.352 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.405 -15.063 0.152 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.005 -16.724 -2.396 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.386 -13.379 2.033 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.672 -12.083 2.637 1.00 0.00 C ATOM 1185 C TYR A 106 -17.423 -11.533 3.315 1.00 0.00 C ATOM 1186 O TYR A 106 -16.458 -12.265 3.520 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.751 -12.275 3.698 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.098 -12.647 3.148 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.924 -11.645 2.613 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.518 -13.990 3.184 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.223 -11.964 2.193 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.800 -14.324 2.715 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.668 -13.309 2.239 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.934 -13.609 1.825 1.00 0.00 O ATOM 0 H TYR A 106 -17.717 -13.922 2.579 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.000 -11.388 1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.428 -13.051 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.848 -11.354 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.560 -10.632 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.861 -14.756 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.883 -11.187 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.124 -15.354 2.717 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.088 -14.572 1.917 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.437 -10.257 3.690 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.334 -9.642 4.426 1.00 0.00 C ATOM 1206 C ALA A 107 -16.570 -9.774 5.932 1.00 0.00 C ATOM 1207 O ALA A 107 -17.668 -10.114 6.375 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.223 -8.163 4.050 1.00 0.00 C ATOM 0 H ALA A 107 -18.210 -9.621 3.494 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.406 -10.152 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.400 -7.708 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.037 -8.073 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.153 -7.653 4.301 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.540 -9.436 6.711 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.619 -9.296 8.171 1.00 0.00 C ATOM 1216 C VAL A 108 -14.745 -8.145 8.700 1.00 0.00 C ATOM 1217 O VAL A 108 -15.115 -7.551 9.718 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.325 -10.672 8.835 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.235 -10.691 9.914 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.607 -11.254 9.445 1.00 0.00 C ATOM 0 H VAL A 108 -14.609 -9.248 6.340 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.632 -9.006 8.450 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.942 -11.274 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.123 -11.704 10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.290 -10.360 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.516 -10.022 10.727 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.386 -12.217 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.993 -10.570 10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.353 -11.389 8.662 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.638 -7.789 8.037 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.775 -6.668 8.414 1.00 0.00 C ATOM 1232 C ALA A 109 -12.174 -6.059 7.144 1.00 0.00 C ATOM 1233 O ALA A 109 -12.820 -6.199 6.084 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.686 -7.137 9.392 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.090 -5.435 7.199 1.00 0.00 O ATOM 0 H ALA A 109 -13.312 -8.284 7.207 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.357 -5.902 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.052 -6.293 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.153 -7.543 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.079 -7.909 8.918 1.00 0.00 H new TER 1241 ALA A 109