USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 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 49 GLN : amide:sc= 1.84 K(o=3,f=-4.6) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0) USER MOD Set 2.1: A 34 MET CE :methyl 154:sc= -0.511 (180deg=-1.33) USER MOD Set 2.2: A 43 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 85:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.19) USER MOD Single : A 50 SER OG : rot 75:sc= 0.733 USER MOD Single : A 51 HIS : no HD1:sc= 0.98 K(o=0.98,f=-4.7!) USER MOD Single : A 53 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.047) USER MOD Single : A 61 GLN : amide:sc= 0.956 K(o=0.96,f=-5.6!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.224 USER MOD Single : A 66 SER OG : rot 67:sc= 0.18 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.586 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.97) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.111 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 83:sc= 1.26 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 100 SER OG : rot 180:sc= 0.599 USER MOD Single : A 105 CYS SG : rot 74:sc= -1.61! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 6.453 0.954 -1.787 1.00 0.00 N ATOM 2 CA GLY A -2 5.440 0.479 -0.816 1.00 0.00 C ATOM 3 C GLY A -2 4.290 -0.230 -1.522 1.00 0.00 C ATOM 4 O GLY A -2 3.477 0.410 -2.197 1.00 0.00 O ATOM 0 H1 GLY A -2 7.224 1.432 -1.278 1.00 0.00 H new ATOM 0 H2 GLY A -2 6.836 0.143 -2.313 1.00 0.00 H new ATOM 0 H3 GLY A -2 6.011 1.620 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A -2 5.907 -0.200 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.054 1.324 -0.246 1.00 0.00 H new ATOM 10 N HIS A -1 4.206 -1.554 -1.375 1.00 0.00 N ATOM 11 CA HIS A -1 3.188 -2.407 -1.989 1.00 0.00 C ATOM 12 C HIS A -1 2.974 -3.639 -1.103 1.00 0.00 C ATOM 13 O HIS A -1 3.851 -3.998 -0.309 1.00 0.00 O ATOM 14 CB HIS A -1 3.624 -2.810 -3.410 1.00 0.00 C ATOM 15 CG HIS A -1 4.931 -3.566 -3.472 1.00 0.00 C ATOM 16 ND1 HIS A -1 6.211 -2.998 -3.419 1.00 0.00 N ATOM 17 CD2 HIS A -1 5.047 -4.922 -3.587 1.00 0.00 C ATOM 18 CE1 HIS A -1 7.066 -4.035 -3.503 1.00 0.00 C ATOM 19 NE2 HIS A -1 6.395 -5.197 -3.602 1.00 0.00 N ATOM 0 H HIS A -1 4.869 -2.079 -0.805 1.00 0.00 H new ATOM 0 HA HIS A -1 2.246 -1.865 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A -1 2.842 -3.424 -3.856 1.00 0.00 H new ATOM 0 HB3 HIS A -1 3.710 -1.910 -4.019 1.00 0.00 H new ATOM 0 HD2 HIS A -1 4.240 -5.637 -3.653 1.00 0.00 H new ATOM 0 HE1 HIS A -1 8.142 -3.946 -3.492 1.00 0.00 H new ATOM 0 HE2 HIS A -1 6.814 -6.124 -3.676 1.00 0.00 H new ATOM 27 N MET A 34 1.802 -4.270 -1.220 1.00 0.00 N ATOM 28 CA MET A 34 1.458 -5.445 -0.420 1.00 0.00 C ATOM 29 C MET A 34 2.310 -6.656 -0.835 1.00 0.00 C ATOM 30 O MET A 34 2.669 -6.796 -2.010 1.00 0.00 O ATOM 31 CB MET A 34 -0.039 -5.775 -0.576 1.00 0.00 C ATOM 32 CG MET A 34 -0.992 -4.724 0.017 1.00 0.00 C ATOM 33 SD MET A 34 -1.821 -3.626 -1.173 1.00 0.00 S ATOM 34 CE MET A 34 -3.203 -4.667 -1.751 1.00 0.00 C ATOM 0 H MET A 34 1.070 -3.981 -1.869 1.00 0.00 H new ATOM 0 HA MET A 34 1.666 -5.219 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.263 -5.892 -1.636 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.237 -6.735 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.757 -5.243 0.594 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.428 -4.107 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.020 -4.031 -2.091 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.865 -5.296 -2.575 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.551 -5.297 -0.933 1.00 0.00 H new ATOM 44 N LEU A 35 2.603 -7.545 0.122 1.00 0.00 N ATOM 45 CA LEU A 35 3.212 -8.855 -0.155 1.00 0.00 C ATOM 46 C LEU A 35 2.134 -9.748 -0.779 1.00 0.00 C ATOM 47 O LEU A 35 0.959 -9.406 -0.674 1.00 0.00 O ATOM 48 CB LEU A 35 3.753 -9.484 1.144 1.00 0.00 C ATOM 49 CG LEU A 35 4.835 -8.648 1.864 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.291 -9.382 3.130 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.049 -8.356 0.976 1.00 0.00 C ATOM 0 H LEU A 35 2.425 -7.377 1.112 1.00 0.00 H new ATOM 0 HA LEU A 35 4.053 -8.745 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.920 -9.643 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.166 -10.466 0.912 1.00 0.00 H new ATOM 0 HG LEU A 35 4.384 -7.689 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.054 -8.792 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.439 -9.523 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.704 -10.353 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.775 -7.766 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.507 -9.295 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.730 -7.799 0.095 1.00 0.00 H new ATOM 63 N GLU A 36 2.472 -10.898 -1.376 1.00 0.00 N ATOM 64 CA GLU A 36 1.501 -11.672 -2.168 1.00 0.00 C ATOM 65 C GLU A 36 0.276 -12.054 -1.348 1.00 0.00 C ATOM 66 O GLU A 36 -0.845 -11.709 -1.718 1.00 0.00 O ATOM 67 CB GLU A 36 2.166 -12.899 -2.821 1.00 0.00 C ATOM 68 CG GLU A 36 1.192 -13.707 -3.689 1.00 0.00 C ATOM 69 CD GLU A 36 1.930 -14.806 -4.478 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.383 -14.535 -5.618 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.062 -15.945 -3.967 1.00 0.00 O ATOM 0 H GLU A 36 3.403 -11.313 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 36 1.147 -11.028 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.005 -12.570 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.574 -13.544 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.428 -14.160 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.679 -13.040 -4.382 1.00 0.00 H new ATOM 78 N ALA A 37 0.485 -12.714 -0.211 1.00 0.00 N ATOM 79 CA ALA A 37 -0.635 -13.191 0.597 1.00 0.00 C ATOM 80 C ALA A 37 -1.434 -12.020 1.190 1.00 0.00 C ATOM 81 O ALA A 37 -2.654 -12.110 1.331 1.00 0.00 O ATOM 82 CB ALA A 37 -0.165 -14.159 1.686 1.00 0.00 C ATOM 0 H ALA A 37 1.407 -12.929 0.168 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.305 -13.743 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.023 -14.495 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.319 -15.019 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.544 -13.653 2.342 1.00 0.00 H new ATOM 88 N ASP A 38 -0.766 -10.906 1.503 1.00 0.00 N ATOM 89 CA ASP A 38 -1.416 -9.704 2.027 1.00 0.00 C ATOM 90 C ASP A 38 -2.240 -9.003 0.938 1.00 0.00 C ATOM 91 O ASP A 38 -3.355 -8.555 1.198 1.00 0.00 O ATOM 92 CB ASP A 38 -0.353 -8.768 2.605 1.00 0.00 C ATOM 93 CG ASP A 38 -0.985 -7.581 3.341 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.701 -7.804 4.344 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.761 -6.421 2.923 1.00 0.00 O ATOM 0 H ASP A 38 0.244 -10.813 1.399 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.108 -9.988 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.287 -9.323 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.285 -8.400 1.801 1.00 0.00 H new ATOM 100 N LEU A 39 -1.730 -8.969 -0.299 1.00 0.00 N ATOM 101 CA LEU A 39 -2.383 -8.385 -1.469 1.00 0.00 C ATOM 102 C LEU A 39 -3.681 -9.119 -1.728 1.00 0.00 C ATOM 103 O LEU A 39 -4.736 -8.486 -1.785 1.00 0.00 O ATOM 104 CB LEU A 39 -1.453 -8.464 -2.702 1.00 0.00 C ATOM 105 CG LEU A 39 -2.040 -7.863 -4.001 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.906 -7.275 -4.849 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.801 -8.881 -4.867 1.00 0.00 C ATOM 0 H LEU A 39 -0.815 -9.364 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.597 -7.333 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.521 -7.949 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.203 -9.509 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.753 -7.101 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.318 -6.851 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.397 -6.494 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.195 -8.062 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.183 -8.386 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.127 -9.686 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.633 -9.294 -4.297 1.00 0.00 H new ATOM 119 N VAL A 40 -3.604 -10.441 -1.878 1.00 0.00 N ATOM 120 CA VAL A 40 -4.765 -11.229 -2.244 1.00 0.00 C ATOM 121 C VAL A 40 -5.803 -11.136 -1.122 1.00 0.00 C ATOM 122 O VAL A 40 -6.973 -10.920 -1.424 1.00 0.00 O ATOM 123 CB VAL A 40 -4.347 -12.663 -2.654 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.349 -12.601 -3.825 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.759 -13.474 -1.496 1.00 0.00 C ATOM 0 H VAL A 40 -2.749 -10.982 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.251 -10.831 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.254 -13.182 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.058 -13.612 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.817 -12.105 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.465 -12.042 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.487 -14.468 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.872 -12.970 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.499 -13.562 -0.701 1.00 0.00 H new ATOM 135 N SER A 41 -5.394 -11.166 0.153 1.00 0.00 N ATOM 136 CA SER A 41 -6.313 -11.045 1.288 1.00 0.00 C ATOM 137 C SER A 41 -7.003 -9.678 1.332 1.00 0.00 C ATOM 138 O SER A 41 -8.228 -9.630 1.426 1.00 0.00 O ATOM 139 CB SER A 41 -5.575 -11.334 2.604 1.00 0.00 C ATOM 140 OG SER A 41 -5.005 -12.631 2.593 1.00 0.00 O ATOM 0 H SER A 41 -4.417 -11.275 0.425 1.00 0.00 H new ATOM 0 HA SER A 41 -7.099 -11.789 1.155 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.793 -10.591 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.268 -11.245 3.441 1.00 0.00 H new ATOM 0 HG SER A 41 -4.129 -12.600 2.155 1.00 0.00 H new ATOM 146 N LYS A 42 -6.270 -8.562 1.240 1.00 0.00 N ATOM 147 CA LYS A 42 -6.878 -7.225 1.323 1.00 0.00 C ATOM 148 C LYS A 42 -7.753 -6.953 0.106 1.00 0.00 C ATOM 149 O LYS A 42 -8.843 -6.417 0.276 1.00 0.00 O ATOM 150 CB LYS A 42 -5.789 -6.148 1.471 1.00 0.00 C ATOM 151 CG LYS A 42 -5.248 -6.114 2.908 1.00 0.00 C ATOM 152 CD LYS A 42 -4.073 -5.132 3.013 1.00 0.00 C ATOM 153 CE LYS A 42 -3.528 -5.093 4.445 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.151 -4.544 4.493 1.00 0.00 N ATOM 0 H LYS A 42 -5.259 -8.556 1.109 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.515 -7.190 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.974 -6.350 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.198 -5.172 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.041 -5.818 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.925 -7.111 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.281 -5.429 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.397 -4.135 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.184 -4.485 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.533 -6.099 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.822 -4.517 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.517 -5.148 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.147 -3.581 4.101 1.00 0.00 H new ATOM 168 N MET A 43 -7.334 -7.329 -1.102 1.00 0.00 N ATOM 169 CA MET A 43 -8.154 -7.088 -2.289 1.00 0.00 C ATOM 170 C MET A 43 -9.401 -7.977 -2.269 1.00 0.00 C ATOM 171 O MET A 43 -10.498 -7.472 -2.501 1.00 0.00 O ATOM 172 CB MET A 43 -7.315 -7.255 -3.566 1.00 0.00 C ATOM 173 CG MET A 43 -6.288 -6.118 -3.701 1.00 0.00 C ATOM 174 SD MET A 43 -5.553 -5.973 -5.350 1.00 0.00 S ATOM 175 CE MET A 43 -4.401 -4.593 -5.124 1.00 0.00 C ATOM 0 H MET A 43 -6.445 -7.795 -1.284 1.00 0.00 H new ATOM 0 HA MET A 43 -8.507 -6.057 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.800 -8.215 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.970 -7.264 -4.437 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.772 -5.175 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.492 -6.274 -2.973 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.302 -4.044 -6.061 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.780 -3.925 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.426 -4.978 -4.825 1.00 0.00 H new ATOM 185 N LEU A 44 -9.282 -9.257 -1.887 1.00 0.00 N ATOM 186 CA LEU A 44 -10.418 -10.151 -1.629 1.00 0.00 C ATOM 187 C LEU A 44 -11.411 -9.459 -0.700 1.00 0.00 C ATOM 188 O LEU A 44 -12.574 -9.261 -1.043 1.00 0.00 O ATOM 189 CB LEU A 44 -9.867 -11.454 -1.000 1.00 0.00 C ATOM 190 CG LEU A 44 -10.898 -12.399 -0.371 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.734 -13.073 -1.451 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.197 -13.463 0.469 1.00 0.00 C ATOM 0 H LEU A 44 -8.377 -9.707 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.944 -10.394 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.327 -12.003 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.141 -11.183 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.554 -11.810 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.460 -13.740 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.258 -12.314 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.083 -13.648 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.941 -14.127 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.524 -14.041 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.625 -12.982 1.262 1.00 0.00 H new ATOM 204 N ARG A 45 -10.920 -9.042 0.464 1.00 0.00 N ATOM 205 CA ARG A 45 -11.679 -8.320 1.471 1.00 0.00 C ATOM 206 C ARG A 45 -12.359 -7.095 0.884 1.00 0.00 C ATOM 207 O ARG A 45 -13.538 -6.897 1.148 1.00 0.00 O ATOM 208 CB ARG A 45 -10.703 -8.022 2.618 1.00 0.00 C ATOM 209 CG ARG A 45 -11.099 -6.915 3.597 1.00 0.00 C ATOM 210 CD ARG A 45 -10.516 -5.535 3.243 1.00 0.00 C ATOM 211 NE ARG A 45 -10.377 -4.771 4.486 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.226 -3.460 4.674 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.028 -2.621 3.656 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.287 -3.023 5.926 1.00 0.00 N ATOM 0 H ARG A 45 -9.951 -9.205 0.737 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.510 -8.909 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.558 -8.941 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.739 -7.760 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.186 -6.843 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.769 -7.193 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.549 -5.644 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.170 -5.012 2.545 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.399 -5.329 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.989 -2.978 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.916 -1.623 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.443 -3.682 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.178 -2.029 6.125 1.00 0.00 H new ATOM 228 N ALA A 46 -11.667 -6.282 0.090 1.00 0.00 N ATOM 229 CA ALA A 46 -12.247 -5.053 -0.423 1.00 0.00 C ATOM 230 C ALA A 46 -13.385 -5.337 -1.404 1.00 0.00 C ATOM 231 O ALA A 46 -14.419 -4.672 -1.335 1.00 0.00 O ATOM 232 CB ALA A 46 -11.153 -4.202 -1.075 1.00 0.00 C ATOM 0 H ALA A 46 -10.707 -6.455 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.678 -4.497 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.590 -3.280 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.390 -3.961 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.700 -4.758 -1.895 1.00 0.00 H new ATOM 238 N VAL A 47 -13.250 -6.353 -2.263 1.00 0.00 N ATOM 239 CA VAL A 47 -14.347 -6.764 -3.143 1.00 0.00 C ATOM 240 C VAL A 47 -15.529 -7.195 -2.270 1.00 0.00 C ATOM 241 O VAL A 47 -16.656 -6.767 -2.501 1.00 0.00 O ATOM 242 CB VAL A 47 -13.881 -7.880 -4.106 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.023 -8.420 -4.970 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.801 -7.350 -5.059 1.00 0.00 C ATOM 0 H VAL A 47 -12.397 -6.902 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.667 -5.933 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.495 -8.681 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.643 -9.201 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.801 -8.833 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.439 -7.611 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.484 -8.148 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.205 -6.524 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.945 -7.001 -4.481 1.00 0.00 H new ATOM 254 N LEU A 48 -15.284 -7.991 -1.226 1.00 0.00 N ATOM 255 CA LEU A 48 -16.343 -8.481 -0.345 1.00 0.00 C ATOM 256 C LEU A 48 -17.035 -7.339 0.403 1.00 0.00 C ATOM 257 O LEU A 48 -18.250 -7.375 0.554 1.00 0.00 O ATOM 258 CB LEU A 48 -15.743 -9.484 0.650 1.00 0.00 C ATOM 259 CG LEU A 48 -15.241 -10.771 -0.015 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.255 -11.440 0.930 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.391 -11.738 -0.273 1.00 0.00 C ATOM 0 H LEU A 48 -14.350 -8.312 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.101 -8.970 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.916 -9.010 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.495 -9.739 1.397 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.775 -10.519 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.884 -12.359 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.420 -10.766 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.754 -11.674 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.007 -12.642 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.868 -11.997 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.122 -11.267 -0.931 1.00 0.00 H new ATOM 273 N GLN A 49 -16.291 -6.323 0.859 1.00 0.00 N ATOM 274 CA GLN A 49 -16.867 -5.156 1.521 1.00 0.00 C ATOM 275 C GLN A 49 -17.707 -4.327 0.538 1.00 0.00 C ATOM 276 O GLN A 49 -18.752 -3.799 0.922 1.00 0.00 O ATOM 277 CB GLN A 49 -15.762 -4.282 2.153 1.00 0.00 C ATOM 278 CG GLN A 49 -15.086 -4.885 3.401 1.00 0.00 C ATOM 279 CD GLN A 49 -15.993 -4.999 4.637 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.186 -4.711 4.603 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.454 -5.430 5.763 1.00 0.00 N ATOM 0 H GLN A 49 -15.275 -6.291 0.777 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.522 -5.512 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.997 -4.091 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.192 -3.317 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.712 -5.878 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.221 -4.274 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.463 -5.670 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.029 -5.523 6.601 1.00 0.00 H new ATOM 290 N SER A 50 -17.287 -4.241 -0.728 1.00 0.00 N ATOM 291 CA SER A 50 -18.057 -3.582 -1.776 1.00 0.00 C ATOM 292 C SER A 50 -19.345 -4.359 -2.095 1.00 0.00 C ATOM 293 O SER A 50 -20.379 -3.754 -2.390 1.00 0.00 O ATOM 294 CB SER A 50 -17.194 -3.444 -3.039 1.00 0.00 C ATOM 295 OG SER A 50 -15.997 -2.720 -2.776 1.00 0.00 O ATOM 0 H SER A 50 -16.401 -4.629 -1.051 1.00 0.00 H new ATOM 0 HA SER A 50 -18.345 -2.592 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.945 -4.434 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.764 -2.936 -3.817 1.00 0.00 H new ATOM 0 HG SER A 50 -15.372 -3.290 -2.280 1.00 0.00 H new ATOM 301 N HIS A 51 -19.302 -5.691 -1.993 1.00 0.00 N ATOM 302 CA HIS A 51 -20.348 -6.592 -2.461 1.00 0.00 C ATOM 303 C HIS A 51 -21.077 -7.193 -1.259 1.00 0.00 C ATOM 304 O HIS A 51 -21.009 -8.399 -1.018 1.00 0.00 O ATOM 305 CB HIS A 51 -19.730 -7.649 -3.394 1.00 0.00 C ATOM 306 CG HIS A 51 -19.163 -7.106 -4.690 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.924 -5.764 -5.017 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.793 -7.880 -5.750 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.405 -5.777 -6.256 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.334 -7.029 -6.729 1.00 0.00 N ATOM 0 H HIS A 51 -18.514 -6.181 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.096 -6.055 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.936 -8.167 -2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.491 -8.392 -3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.850 -8.957 -5.810 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.088 -4.898 -6.797 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.999 -7.303 -7.653 1.00 0.00 H new ATOM 318 N LYS A 52 -21.769 -6.354 -0.473 1.00 0.00 N ATOM 319 CA LYS A 52 -22.455 -6.768 0.760 1.00 0.00 C ATOM 320 C LYS A 52 -23.478 -7.893 0.561 1.00 0.00 C ATOM 321 O LYS A 52 -23.736 -8.639 1.503 1.00 0.00 O ATOM 322 CB LYS A 52 -23.157 -5.563 1.409 1.00 0.00 C ATOM 323 CG LYS A 52 -22.207 -4.531 2.027 1.00 0.00 C ATOM 324 CD LYS A 52 -21.368 -5.097 3.185 1.00 0.00 C ATOM 325 CE LYS A 52 -20.773 -3.910 3.968 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.953 -4.325 5.137 1.00 0.00 N ATOM 0 H LYS A 52 -21.869 -5.360 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.674 -7.162 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.771 -5.068 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.832 -5.926 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.539 -4.153 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.788 -3.683 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.987 -5.712 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.573 -5.737 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.157 -3.313 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.584 -3.268 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.006 -3.594 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.315 -5.224 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.963 -4.447 4.841 1.00 0.00 H new ATOM 340 N ASN A 53 -24.044 -8.040 -0.645 1.00 0.00 N ATOM 341 CA ASN A 53 -24.948 -9.148 -0.976 1.00 0.00 C ATOM 342 C ASN A 53 -24.247 -10.517 -0.895 1.00 0.00 C ATOM 343 O ASN A 53 -24.920 -11.548 -0.833 1.00 0.00 O ATOM 344 CB ASN A 53 -25.543 -8.922 -2.376 1.00 0.00 C ATOM 345 CG ASN A 53 -26.582 -9.983 -2.743 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.332 -10.847 -3.580 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.761 -9.945 -2.137 1.00 0.00 N ATOM 0 H ASN A 53 -23.887 -7.393 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.748 -9.163 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.004 -7.935 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.742 -8.931 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.474 -10.639 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.955 -9.222 -1.444 1.00 0.00 H new ATOM 354 N GLY A 54 -22.911 -10.539 -0.867 1.00 0.00 N ATOM 355 CA GLY A 54 -22.094 -11.729 -0.953 1.00 0.00 C ATOM 356 C GLY A 54 -21.882 -12.137 -2.407 1.00 0.00 C ATOM 357 O GLY A 54 -22.536 -11.622 -3.320 1.00 0.00 O ATOM 0 H GLY A 54 -22.357 -9.687 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.130 -11.549 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.571 -12.543 -0.408 1.00 0.00 H new ATOM 361 N ILE A 55 -20.943 -13.057 -2.622 1.00 0.00 N ATOM 362 CA ILE A 55 -20.550 -13.540 -3.944 1.00 0.00 C ATOM 363 C ILE A 55 -20.275 -15.027 -3.812 1.00 0.00 C ATOM 364 O ILE A 55 -19.514 -15.433 -2.943 1.00 0.00 O ATOM 365 CB ILE A 55 -19.337 -12.733 -4.504 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.335 -12.219 -3.436 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.818 -11.532 -5.329 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.208 -11.315 -3.970 1.00 0.00 C ATOM 0 H ILE A 55 -20.422 -13.497 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.345 -13.388 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.799 -13.454 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.890 -11.669 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.884 -13.079 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.956 -10.984 -5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.423 -11.884 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.417 -10.874 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.564 -11.011 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.620 -11.863 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.641 -10.431 -4.437 1.00 0.00 H new ATOM 380 N VAL A 56 -20.948 -15.839 -4.624 1.00 0.00 N ATOM 381 CA VAL A 56 -20.776 -17.294 -4.651 1.00 0.00 C ATOM 382 C VAL A 56 -19.338 -17.648 -5.039 1.00 0.00 C ATOM 383 O VAL A 56 -18.760 -16.880 -5.798 1.00 0.00 O ATOM 384 CB VAL A 56 -21.819 -17.919 -5.600 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.220 -17.852 -4.988 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.844 -17.277 -7.000 1.00 0.00 C ATOM 0 H VAL A 56 -21.640 -15.502 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.946 -17.710 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.513 -18.957 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.939 -18.299 -5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.232 -18.398 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.489 -16.811 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.601 -17.768 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.081 -16.217 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.867 -17.392 -7.470 1.00 0.00 H new ATOM 396 N LEU A 57 -18.747 -18.779 -4.617 1.00 0.00 N ATOM 397 CA LEU A 57 -17.314 -19.039 -4.891 1.00 0.00 C ATOM 398 C LEU A 57 -16.849 -18.852 -6.359 1.00 0.00 C ATOM 399 O LEU A 57 -15.730 -18.369 -6.533 1.00 0.00 O ATOM 400 CB LEU A 57 -16.735 -20.317 -4.222 1.00 0.00 C ATOM 401 CG LEU A 57 -16.855 -21.692 -4.934 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.964 -21.847 -6.180 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.418 -22.793 -3.962 1.00 0.00 C ATOM 0 H LEU A 57 -19.222 -19.516 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.847 -18.205 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.675 -20.137 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.211 -20.415 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.896 -21.765 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.112 -22.836 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.230 -21.086 -6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.918 -21.728 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.498 -23.764 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.384 -22.623 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.060 -22.777 -3.081 1.00 0.00 H new ATOM 415 N PRO A 58 -17.616 -19.150 -7.434 1.00 0.00 N ATOM 416 CA PRO A 58 -17.135 -18.855 -8.787 1.00 0.00 C ATOM 417 C PRO A 58 -17.211 -17.350 -9.095 1.00 0.00 C ATOM 418 O PRO A 58 -16.300 -16.777 -9.693 1.00 0.00 O ATOM 419 CB PRO A 58 -18.015 -19.696 -9.724 1.00 0.00 C ATOM 420 CG PRO A 58 -19.311 -19.899 -8.943 1.00 0.00 C ATOM 421 CD PRO A 58 -18.852 -19.931 -7.487 1.00 0.00 C ATOM 0 HA PRO A 58 -16.082 -19.109 -8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.196 -19.182 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.543 -20.648 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.018 -19.089 -9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.809 -20.826 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.610 -19.505 -6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.681 -20.955 -7.155 1.00 0.00 H new ATOM 429 N ARG A 59 -18.259 -16.671 -8.617 1.00 0.00 N ATOM 430 CA ARG A 59 -18.403 -15.214 -8.728 1.00 0.00 C ATOM 431 C ARG A 59 -17.340 -14.511 -7.888 1.00 0.00 C ATOM 432 O ARG A 59 -16.884 -13.442 -8.276 1.00 0.00 O ATOM 433 CB ARG A 59 -19.841 -14.823 -8.323 1.00 0.00 C ATOM 434 CG ARG A 59 -20.181 -13.365 -8.645 1.00 0.00 C ATOM 435 CD ARG A 59 -21.658 -13.040 -8.367 1.00 0.00 C ATOM 436 NE ARG A 59 -21.968 -11.639 -8.715 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.163 -11.040 -8.599 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.224 -11.712 -8.150 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.294 -9.759 -8.936 1.00 0.00 N ATOM 0 H ARG A 59 -19.039 -17.121 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.245 -14.891 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.547 -15.476 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.970 -14.992 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.547 -12.706 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.957 -13.164 -9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.296 -13.711 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.880 -13.214 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.201 -11.073 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.133 -12.694 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.126 -11.244 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.488 -9.237 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.200 -9.299 -8.850 1.00 0.00 H new ATOM 453 N LEU A 60 -16.924 -15.121 -6.770 1.00 0.00 N ATOM 454 CA LEU A 60 -15.845 -14.648 -5.920 1.00 0.00 C ATOM 455 C LEU A 60 -14.613 -14.516 -6.796 1.00 0.00 C ATOM 456 O LEU A 60 -14.106 -13.410 -6.918 1.00 0.00 O ATOM 457 CB LEU A 60 -15.608 -15.602 -4.723 1.00 0.00 C ATOM 458 CG LEU A 60 -14.542 -15.197 -3.695 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.100 -15.267 -4.197 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.839 -13.820 -3.112 1.00 0.00 C ATOM 0 H LEU A 60 -17.348 -15.984 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.096 -13.683 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.555 -15.723 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.338 -16.580 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.611 -15.952 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.422 -14.963 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.869 -16.288 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.979 -14.600 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.069 -13.558 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.850 -13.081 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.811 -13.836 -2.619 1.00 0.00 H new ATOM 472 N GLN A 61 -14.182 -15.612 -7.438 1.00 0.00 N ATOM 473 CA GLN A 61 -13.039 -15.623 -8.356 1.00 0.00 C ATOM 474 C GLN A 61 -13.135 -14.500 -9.390 1.00 0.00 C ATOM 475 O GLN A 61 -12.172 -13.754 -9.556 1.00 0.00 O ATOM 476 CB GLN A 61 -12.921 -17.001 -9.041 1.00 0.00 C ATOM 477 CG GLN A 61 -12.007 -17.987 -8.296 1.00 0.00 C ATOM 478 CD GLN A 61 -10.545 -17.851 -8.751 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.996 -16.757 -8.766 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.867 -18.927 -9.131 1.00 0.00 N ATOM 0 H GLN A 61 -14.624 -16.525 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.135 -15.445 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.915 -17.438 -9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.542 -16.862 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.074 -17.807 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.350 -19.007 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.316 -19.843 -9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.897 -18.838 -9.432 1.00 0.00 H new ATOM 489 N GLY A 62 -14.284 -14.359 -10.058 1.00 0.00 N ATOM 490 CA GLY A 62 -14.458 -13.354 -11.099 1.00 0.00 C ATOM 491 C GLY A 62 -14.245 -11.935 -10.560 1.00 0.00 C ATOM 492 O GLY A 62 -13.401 -11.203 -11.074 1.00 0.00 O ATOM 0 H GLY A 62 -15.109 -14.935 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.755 -13.545 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.460 -13.436 -11.520 1.00 0.00 H new ATOM 496 N GLU A 63 -14.967 -11.548 -9.506 1.00 0.00 N ATOM 497 CA GLU A 63 -14.940 -10.172 -9.003 1.00 0.00 C ATOM 498 C GLU A 63 -13.607 -9.854 -8.313 1.00 0.00 C ATOM 499 O GLU A 63 -13.035 -8.774 -8.505 1.00 0.00 O ATOM 500 CB GLU A 63 -16.117 -9.958 -8.039 1.00 0.00 C ATOM 501 CG GLU A 63 -17.481 -10.017 -8.739 1.00 0.00 C ATOM 502 CD GLU A 63 -17.641 -8.891 -9.777 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.651 -7.702 -9.377 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.757 -9.187 -10.991 1.00 0.00 O ATOM 0 H GLU A 63 -15.581 -12.172 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.037 -9.490 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.082 -10.717 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.007 -8.991 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.596 -10.983 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.275 -9.941 -7.996 1.00 0.00 H new ATOM 511 N TYR A 64 -13.087 -10.823 -7.548 1.00 0.00 N ATOM 512 CA TYR A 64 -11.743 -10.780 -6.994 1.00 0.00 C ATOM 513 C TYR A 64 -10.758 -10.434 -8.104 1.00 0.00 C ATOM 514 O TYR A 64 -10.011 -9.465 -7.977 1.00 0.00 O ATOM 515 CB TYR A 64 -11.409 -12.132 -6.348 1.00 0.00 C ATOM 516 CG TYR A 64 -9.941 -12.370 -6.093 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.154 -12.954 -7.103 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.360 -12.014 -4.866 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.791 -13.160 -6.889 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.991 -12.252 -4.639 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.207 -12.837 -5.654 1.00 0.00 C ATOM 522 OH TYR A 64 -5.888 -13.084 -5.453 1.00 0.00 O ATOM 0 H TYR A 64 -13.602 -11.667 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.676 -10.014 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.944 -12.208 -5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.785 -12.928 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.604 -13.242 -8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.963 -11.557 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.180 -13.571 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.544 -11.988 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.358 -12.584 -6.109 1.00 0.00 H new ATOM 532 N ARG A 65 -10.806 -11.183 -9.211 1.00 0.00 N ATOM 533 CA ARG A 65 -9.876 -11.009 -10.308 1.00 0.00 C ATOM 534 C ARG A 65 -10.050 -9.647 -10.963 1.00 0.00 C ATOM 535 O ARG A 65 -9.046 -9.050 -11.353 1.00 0.00 O ATOM 536 CB ARG A 65 -10.028 -12.160 -11.305 1.00 0.00 C ATOM 537 CG ARG A 65 -9.044 -11.967 -12.468 1.00 0.00 C ATOM 538 CD ARG A 65 -8.771 -13.293 -13.157 1.00 0.00 C ATOM 539 NE ARG A 65 -7.561 -13.205 -13.983 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.485 -13.112 -15.320 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.583 -13.087 -16.071 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.291 -13.044 -15.904 1.00 0.00 N ATOM 0 H ARG A 65 -11.492 -11.922 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.857 -11.036 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.838 -13.112 -10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.050 -12.195 -11.682 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.453 -11.255 -13.185 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.111 -11.544 -12.096 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.653 -14.079 -12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.623 -13.569 -13.778 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.673 -13.216 -13.482 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.502 -13.139 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.505 -13.016 -17.086 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.444 -13.063 -15.336 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.223 -12.973 -16.919 1.00 0.00 H new ATOM 556 N SER A 66 -11.276 -9.129 -11.072 1.00 0.00 N ATOM 557 CA SER A 66 -11.479 -7.787 -11.583 1.00 0.00 C ATOM 558 C SER A 66 -10.692 -6.758 -10.757 1.00 0.00 C ATOM 559 O SER A 66 -10.163 -5.804 -11.343 1.00 0.00 O ATOM 560 CB SER A 66 -12.968 -7.426 -11.632 1.00 0.00 C ATOM 561 OG SER A 66 -13.694 -8.375 -12.407 1.00 0.00 O ATOM 0 H SER A 66 -12.132 -9.620 -10.813 1.00 0.00 H new ATOM 0 HA SER A 66 -11.099 -7.763 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.372 -7.391 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.092 -6.431 -12.059 1.00 0.00 H new ATOM 0 HG SER A 66 -13.689 -9.242 -11.951 1.00 0.00 H new ATOM 567 N LEU A 67 -10.565 -6.941 -9.431 1.00 0.00 N ATOM 568 CA LEU A 67 -9.727 -6.042 -8.626 1.00 0.00 C ATOM 569 C LEU A 67 -8.225 -6.384 -8.719 1.00 0.00 C ATOM 570 O LEU A 67 -7.425 -5.480 -8.980 1.00 0.00 O ATOM 571 CB LEU A 67 -10.195 -5.996 -7.162 1.00 0.00 C ATOM 572 CG LEU A 67 -9.431 -4.952 -6.314 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.513 -3.525 -6.871 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.995 -4.926 -4.895 1.00 0.00 C ATOM 0 H LEU A 67 -11.022 -7.686 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.849 -5.046 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.261 -5.768 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.068 -6.982 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.386 -5.262 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.954 -2.849 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.088 -3.501 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.556 -3.209 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.454 -4.189 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.051 -4.660 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.883 -5.911 -4.441 1.00 0.00 H new ATOM 586 N THR A 68 -7.813 -7.635 -8.487 1.00 0.00 N ATOM 587 CA THR A 68 -6.392 -7.983 -8.350 1.00 0.00 C ATOM 588 C THR A 68 -5.655 -8.052 -9.687 1.00 0.00 C ATOM 589 O THR A 68 -4.455 -7.762 -9.748 1.00 0.00 O ATOM 590 CB THR A 68 -6.256 -9.373 -7.707 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.126 -10.268 -8.376 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.588 -9.361 -6.222 1.00 0.00 C ATOM 0 H THR A 68 -8.447 -8.428 -8.390 1.00 0.00 H new ATOM 0 HA THR A 68 -5.953 -7.193 -7.740 1.00 0.00 H new ATOM 0 HB THR A 68 -5.217 -9.689 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.249 -11.073 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.477 -10.366 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.910 -8.683 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.615 -9.025 -6.082 1.00 0.00 H new ATOM 600 N GLY A 69 -6.357 -8.441 -10.755 1.00 0.00 N ATOM 601 CA GLY A 69 -5.746 -8.788 -12.026 1.00 0.00 C ATOM 602 C GLY A 69 -5.090 -10.179 -11.935 1.00 0.00 C ATOM 603 O GLY A 69 -4.194 -10.479 -12.726 1.00 0.00 O ATOM 0 H GLY A 69 -7.374 -8.522 -10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.499 -8.783 -12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.999 -8.042 -12.295 1.00 0.00 H new ATOM 607 N ASP A 70 -5.509 -11.028 -10.982 1.00 0.00 N ATOM 608 CA ASP A 70 -4.959 -12.369 -10.755 1.00 0.00 C ATOM 609 C ASP A 70 -6.094 -13.325 -10.384 1.00 0.00 C ATOM 610 O ASP A 70 -7.179 -12.879 -10.018 1.00 0.00 O ATOM 611 CB ASP A 70 -3.917 -12.346 -9.623 1.00 0.00 C ATOM 612 CG ASP A 70 -3.019 -13.603 -9.594 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.018 -14.409 -10.558 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.290 -13.781 -8.588 1.00 0.00 O ATOM 0 H ASP A 70 -6.259 -10.792 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.471 -12.707 -11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.289 -11.462 -9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.432 -12.253 -8.667 1.00 0.00 H new ATOM 619 N TRP A 71 -5.863 -14.627 -10.465 1.00 0.00 N ATOM 620 CA TRP A 71 -6.769 -15.637 -9.935 1.00 0.00 C ATOM 621 C TRP A 71 -6.448 -15.854 -8.455 1.00 0.00 C ATOM 622 O TRP A 71 -5.336 -15.565 -7.996 1.00 0.00 O ATOM 623 CB TRP A 71 -6.580 -16.945 -10.712 1.00 0.00 C ATOM 624 CG TRP A 71 -6.938 -16.864 -12.165 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.075 -16.975 -13.200 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.248 -16.647 -12.764 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.761 -16.864 -14.394 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.107 -16.640 -14.186 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.529 -16.391 -12.242 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.201 -16.414 -15.041 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.619 -16.127 -13.087 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.464 -16.152 -14.483 1.00 0.00 C ATOM 0 H TRP A 71 -5.030 -15.017 -10.906 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.804 -15.310 -10.040 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.539 -17.257 -10.624 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.186 -17.721 -10.245 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.010 -17.127 -13.107 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.327 -16.938 -15.314 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.677 -16.398 -11.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.072 -16.441 -16.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.585 -15.903 -12.660 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.313 -15.970 -15.126 1.00 0.00 H new ATOM 643 N ILE A 72 -7.425 -16.360 -7.697 1.00 0.00 N ATOM 644 CA ILE A 72 -7.250 -16.735 -6.300 1.00 0.00 C ATOM 645 C ILE A 72 -6.086 -17.737 -6.255 1.00 0.00 C ATOM 646 O ILE A 72 -6.127 -18.737 -6.981 1.00 0.00 O ATOM 647 CB ILE A 72 -8.563 -17.347 -5.755 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.692 -16.299 -5.613 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.338 -18.115 -4.442 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.673 -15.471 -4.328 1.00 0.00 C ATOM 0 H ILE A 72 -8.370 -16.521 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.020 -15.875 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.896 -18.068 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.639 -15.618 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.650 -16.814 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.285 -18.528 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.629 -18.926 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.940 -17.437 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.507 -14.770 -4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.763 -16.133 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.735 -14.919 -4.265 1.00 0.00 H new ATOM 662 N PRO A 73 -5.079 -17.539 -5.392 1.00 0.00 N ATOM 663 CA PRO A 73 -3.905 -18.401 -5.356 1.00 0.00 C ATOM 664 C PRO A 73 -4.152 -19.664 -4.516 1.00 0.00 C ATOM 665 O PRO A 73 -3.219 -20.129 -3.876 1.00 0.00 O ATOM 666 CB PRO A 73 -2.788 -17.495 -4.813 1.00 0.00 C ATOM 667 CG PRO A 73 -3.548 -16.643 -3.806 1.00 0.00 C ATOM 668 CD PRO A 73 -4.882 -16.394 -4.509 1.00 0.00 C ATOM 0 HA PRO A 73 -3.637 -18.802 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.988 -18.067 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.331 -16.892 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.682 -17.162 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.025 -15.711 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.695 -16.310 -3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.860 -15.462 -5.074 1.00 0.00 H new ATOM 676 N PHE A 74 -5.376 -20.220 -4.459 1.00 0.00 N ATOM 677 CA PHE A 74 -5.750 -21.287 -3.518 1.00 0.00 C ATOM 678 C PHE A 74 -4.757 -22.443 -3.592 1.00 0.00 C ATOM 679 O PHE A 74 -4.039 -22.711 -2.632 1.00 0.00 O ATOM 680 CB PHE A 74 -7.219 -21.738 -3.711 1.00 0.00 C ATOM 681 CG PHE A 74 -7.549 -22.507 -4.980 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.754 -21.843 -6.205 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.647 -23.910 -4.926 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.060 -22.578 -7.363 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.981 -24.643 -6.078 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.183 -23.975 -7.297 1.00 0.00 C ATOM 0 H PHE A 74 -6.140 -19.937 -5.072 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.696 -20.884 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.497 -22.358 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.852 -20.851 -3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.676 -20.767 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.465 -24.426 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.201 -22.068 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.082 -25.717 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.433 -24.537 -8.185 1.00 0.00 H new ATOM 696 N LYS A 75 -4.628 -23.067 -4.763 1.00 0.00 N ATOM 697 CA LYS A 75 -3.801 -24.262 -4.924 1.00 0.00 C ATOM 698 C LYS A 75 -2.308 -23.921 -4.933 1.00 0.00 C ATOM 699 O LYS A 75 -1.478 -24.781 -4.655 1.00 0.00 O ATOM 700 CB LYS A 75 -4.266 -24.975 -6.208 1.00 0.00 C ATOM 701 CG LYS A 75 -3.975 -26.485 -6.275 1.00 0.00 C ATOM 702 CD LYS A 75 -4.654 -27.294 -5.151 1.00 0.00 C ATOM 703 CE LYS A 75 -4.491 -28.816 -5.329 1.00 0.00 C ATOM 704 NZ LYS A 75 -5.314 -29.378 -6.438 1.00 0.00 N ATOM 0 H LYS A 75 -5.090 -22.761 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.926 -24.934 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.340 -24.825 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.790 -24.493 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.308 -26.868 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.898 -26.642 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.232 -26.998 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.715 -27.048 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.441 -29.041 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.762 -29.314 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.156 -30.404 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.320 -29.193 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.040 -28.929 -7.335 1.00 0.00 H new ATOM 718 N GLN A 76 -1.976 -22.662 -5.242 1.00 0.00 N ATOM 719 CA GLN A 76 -0.604 -22.171 -5.301 1.00 0.00 C ATOM 720 C GLN A 76 -0.068 -21.929 -3.877 1.00 0.00 C ATOM 721 O GLN A 76 1.078 -22.274 -3.586 1.00 0.00 O ATOM 722 CB GLN A 76 -0.575 -20.895 -6.167 1.00 0.00 C ATOM 723 CG GLN A 76 -1.064 -21.122 -7.621 1.00 0.00 C ATOM 724 CD GLN A 76 -2.231 -20.200 -8.013 1.00 0.00 C ATOM 725 OE1 GLN A 76 -2.034 -19.009 -8.236 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.459 -20.711 -8.103 1.00 0.00 N ATOM 0 H GLN A 76 -2.670 -21.947 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 76 0.051 -22.910 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.197 -20.133 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.443 -20.505 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.233 -20.959 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.374 -22.161 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.614 -21.702 -7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.243 -20.111 -8.359 1.00 0.00 H new ATOM 735 N LEU A 77 -0.902 -21.389 -2.974 1.00 0.00 N ATOM 736 CA LEU A 77 -0.612 -21.251 -1.545 1.00 0.00 C ATOM 737 C LEU A 77 -0.728 -22.608 -0.835 1.00 0.00 C ATOM 738 O LEU A 77 -0.031 -22.821 0.158 1.00 0.00 O ATOM 739 CB LEU A 77 -1.538 -20.210 -0.889 1.00 0.00 C ATOM 740 CG LEU A 77 -1.258 -18.743 -1.277 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.286 -17.807 -0.620 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.146 -18.261 -0.885 1.00 0.00 C ATOM 0 H LEU A 77 -1.821 -21.028 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 77 0.414 -20.897 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.569 -20.448 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.455 -20.305 0.194 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.333 -18.710 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.074 -16.776 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.288 -18.076 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.226 -17.904 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.272 -17.222 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.270 -18.341 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.895 -18.878 -1.383 1.00 0.00 H new ATOM 754 N GLY A 78 -1.551 -23.532 -1.352 1.00 0.00 N ATOM 755 CA GLY A 78 -1.596 -24.926 -0.911 1.00 0.00 C ATOM 756 C GLY A 78 -2.934 -25.327 -0.289 1.00 0.00 C ATOM 757 O GLY A 78 -3.024 -26.397 0.315 1.00 0.00 O ATOM 0 H GLY A 78 -2.213 -23.324 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.392 -25.575 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.802 -25.094 -0.184 1.00 0.00 H new ATOM 761 N TYR A 79 -3.971 -24.496 -0.427 1.00 0.00 N ATOM 762 CA TYR A 79 -5.330 -24.829 -0.030 1.00 0.00 C ATOM 763 C TYR A 79 -5.920 -25.709 -1.132 1.00 0.00 C ATOM 764 O TYR A 79 -5.679 -25.425 -2.307 1.00 0.00 O ATOM 765 CB TYR A 79 -6.148 -23.541 0.103 1.00 0.00 C ATOM 766 CG TYR A 79 -5.496 -22.552 1.039 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.610 -22.725 2.428 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.765 -21.467 0.523 1.00 0.00 C ATOM 769 CE1 TYR A 79 -4.976 -21.826 3.303 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.140 -20.555 1.391 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.238 -20.733 2.788 1.00 0.00 C ATOM 772 OH TYR A 79 -3.618 -19.849 3.619 1.00 0.00 O ATOM 0 H TYR A 79 -3.882 -23.561 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.345 -25.351 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.269 -23.085 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.147 -23.782 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.185 -23.549 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.683 -21.334 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.052 -21.969 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.586 -19.719 0.990 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.159 -19.166 3.087 1.00 0.00 H new ATOM 782 N PRO A 80 -6.695 -26.759 -0.818 1.00 0.00 N ATOM 783 CA PRO A 80 -7.137 -27.692 -1.843 1.00 0.00 C ATOM 784 C PRO A 80 -8.172 -27.088 -2.795 1.00 0.00 C ATOM 785 O PRO A 80 -8.231 -27.500 -3.955 1.00 0.00 O ATOM 786 CB PRO A 80 -7.693 -28.903 -1.079 1.00 0.00 C ATOM 787 CG PRO A 80 -8.133 -28.298 0.255 1.00 0.00 C ATOM 788 CD PRO A 80 -7.046 -27.252 0.503 1.00 0.00 C ATOM 0 HA PRO A 80 -6.310 -27.971 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.527 -29.365 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.936 -29.675 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.124 -27.849 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.170 -29.044 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.410 -26.447 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.183 -27.690 1.004 1.00 0.00 H new ATOM 796 N THR A 81 -8.980 -26.125 -2.335 1.00 0.00 N ATOM 797 CA THR A 81 -10.121 -25.610 -3.082 1.00 0.00 C ATOM 798 C THR A 81 -10.294 -24.114 -2.803 1.00 0.00 C ATOM 799 O THR A 81 -9.700 -23.573 -1.865 1.00 0.00 O ATOM 800 CB THR A 81 -11.370 -26.415 -2.665 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.445 -26.395 -1.248 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.318 -27.872 -3.129 1.00 0.00 C ATOM 0 H THR A 81 -8.854 -25.681 -1.425 1.00 0.00 H new ATOM 0 HA THR A 81 -9.966 -25.723 -4.155 1.00 0.00 H new ATOM 0 HB THR A 81 -12.241 -25.956 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.133 -27.025 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.222 -28.389 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.248 -27.905 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.446 -28.361 -2.694 1.00 0.00 H new ATOM 810 N LEU A 82 -11.145 -23.452 -3.595 1.00 0.00 N ATOM 811 CA LEU A 82 -11.537 -22.062 -3.362 1.00 0.00 C ATOM 812 C LEU A 82 -12.178 -21.948 -1.998 1.00 0.00 C ATOM 813 O LEU A 82 -11.844 -21.036 -1.255 1.00 0.00 O ATOM 814 CB LEU A 82 -12.547 -21.571 -4.426 1.00 0.00 C ATOM 815 CG LEU A 82 -11.987 -21.196 -5.808 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.864 -20.166 -5.697 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.489 -22.406 -6.602 1.00 0.00 C ATOM 0 H LEU A 82 -11.581 -23.869 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.641 -21.445 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.296 -22.350 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.064 -20.700 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.825 -20.762 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.492 -19.924 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.245 -19.262 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.052 -20.576 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.106 -22.075 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.693 -22.903 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.312 -23.103 -6.758 1.00 0.00 H new ATOM 829 N GLU A 83 -13.072 -22.881 -1.651 1.00 0.00 N ATOM 830 CA GLU A 83 -13.718 -22.841 -0.352 1.00 0.00 C ATOM 831 C GLU A 83 -12.660 -22.940 0.736 1.00 0.00 C ATOM 832 O GLU A 83 -12.697 -22.118 1.638 1.00 0.00 O ATOM 833 CB GLU A 83 -14.853 -23.877 -0.217 1.00 0.00 C ATOM 834 CG GLU A 83 -14.407 -25.346 -0.170 1.00 0.00 C ATOM 835 CD GLU A 83 -15.597 -26.285 0.065 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.257 -26.707 -0.917 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.870 -26.602 1.249 1.00 0.00 O ATOM 0 H GLU A 83 -13.356 -23.658 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.226 -21.883 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.415 -23.657 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.538 -23.750 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.914 -25.608 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.673 -25.480 0.625 1.00 0.00 H new ATOM 844 N ALA A 84 -11.676 -23.843 0.641 1.00 0.00 N ATOM 845 CA ALA A 84 -10.670 -24.010 1.689 1.00 0.00 C ATOM 846 C ALA A 84 -9.826 -22.746 1.873 1.00 0.00 C ATOM 847 O ALA A 84 -9.568 -22.338 3.005 1.00 0.00 O ATOM 848 CB ALA A 84 -9.797 -25.223 1.378 1.00 0.00 C ATOM 0 H ALA A 84 -11.558 -24.470 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.184 -24.182 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.049 -25.343 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.419 -26.117 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.298 -25.076 0.420 1.00 0.00 H new ATOM 854 N TYR A 85 -9.444 -22.084 0.776 1.00 0.00 N ATOM 855 CA TYR A 85 -8.800 -20.776 0.836 1.00 0.00 C ATOM 856 C TYR A 85 -9.691 -19.779 1.593 1.00 0.00 C ATOM 857 O TYR A 85 -9.223 -19.124 2.522 1.00 0.00 O ATOM 858 CB TYR A 85 -8.474 -20.304 -0.587 1.00 0.00 C ATOM 859 CG TYR A 85 -8.057 -18.854 -0.677 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.744 -18.468 -0.348 1.00 0.00 C ATOM 861 CD2 TYR A 85 -8.992 -17.882 -1.083 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.350 -17.121 -0.439 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.613 -16.532 -1.156 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.283 -16.148 -0.863 1.00 0.00 C ATOM 865 OH TYR A 85 -6.888 -14.848 -0.987 1.00 0.00 O ATOM 0 H TYR A 85 -9.573 -22.440 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.863 -20.846 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.675 -20.926 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.349 -20.459 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.033 -19.213 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.000 -18.175 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.341 -16.832 -0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.339 -15.784 -1.437 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.645 -14.303 -1.289 1.00 0.00 H new ATOM 875 N LEU A 86 -10.985 -19.705 1.255 1.00 0.00 N ATOM 876 CA LEU A 86 -11.928 -18.793 1.900 1.00 0.00 C ATOM 877 C LEU A 86 -12.188 -19.148 3.379 1.00 0.00 C ATOM 878 O LEU A 86 -12.318 -18.245 4.203 1.00 0.00 O ATOM 879 CB LEU A 86 -13.232 -18.772 1.079 1.00 0.00 C ATOM 880 CG LEU A 86 -13.084 -18.172 -0.332 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.195 -18.693 -1.249 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.111 -16.641 -0.271 1.00 0.00 C ATOM 0 H LEU A 86 -11.405 -20.279 0.524 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.489 -17.795 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.608 -19.791 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.983 -18.202 1.626 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.122 -18.481 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.079 -18.261 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.132 -19.779 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.166 -18.410 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.005 -16.235 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.058 -16.311 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.289 -16.287 0.351 1.00 0.00 H new ATOM 894 N ARG A 87 -12.208 -20.439 3.754 1.00 0.00 N ATOM 895 CA ARG A 87 -12.243 -20.880 5.167 1.00 0.00 C ATOM 896 C ARG A 87 -11.034 -20.328 5.926 1.00 0.00 C ATOM 897 O ARG A 87 -11.156 -19.980 7.098 1.00 0.00 O ATOM 898 CB ARG A 87 -12.212 -22.422 5.347 1.00 0.00 C ATOM 899 CG ARG A 87 -13.531 -23.218 5.293 1.00 0.00 C ATOM 900 CD ARG A 87 -14.024 -23.454 3.864 1.00 0.00 C ATOM 901 NE ARG A 87 -14.933 -24.601 3.654 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.079 -24.935 4.268 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.525 -24.300 5.349 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.785 -25.936 3.768 1.00 0.00 N ATOM 0 H ARG A 87 -12.200 -21.211 3.087 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.188 -20.501 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.554 -22.828 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.744 -22.629 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.390 -24.179 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.297 -22.681 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.533 -22.551 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.153 -23.588 3.222 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.640 -25.246 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.990 -23.526 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.402 -24.587 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.454 -26.430 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.660 -26.214 4.212 1.00 0.00 H new ATOM 918 N SER A 88 -9.873 -20.277 5.274 1.00 0.00 N ATOM 919 CA SER A 88 -8.578 -19.986 5.887 1.00 0.00 C ATOM 920 C SER A 88 -8.308 -18.487 6.124 1.00 0.00 C ATOM 921 O SER A 88 -7.175 -18.119 6.446 1.00 0.00 O ATOM 922 CB SER A 88 -7.480 -20.661 5.064 1.00 0.00 C ATOM 923 OG SER A 88 -7.738 -22.055 4.974 1.00 0.00 O ATOM 0 H SER A 88 -9.806 -20.443 4.270 1.00 0.00 H new ATOM 0 HA SER A 88 -8.587 -20.402 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.439 -20.224 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.508 -20.490 5.527 1.00 0.00 H new ATOM 0 HG SER A 88 -8.377 -22.223 4.250 1.00 0.00 H new ATOM 929 N VAL A 89 -9.313 -17.614 5.998 1.00 0.00 N ATOM 930 CA VAL A 89 -9.205 -16.173 6.264 1.00 0.00 C ATOM 931 C VAL A 89 -10.335 -15.706 7.222 1.00 0.00 C ATOM 932 O VAL A 89 -10.947 -14.662 7.000 1.00 0.00 O ATOM 933 CB VAL A 89 -9.057 -15.455 4.891 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.158 -15.825 3.880 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.905 -13.930 4.966 1.00 0.00 C ATOM 0 H VAL A 89 -10.247 -17.895 5.701 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.314 -15.897 6.828 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.108 -15.845 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.991 -15.287 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.132 -16.898 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.132 -15.552 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.809 -13.524 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.783 -13.500 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.015 -13.681 5.544 1.00 0.00 H new ATOM 945 N PRO A 90 -10.643 -16.434 8.317 1.00 0.00 N ATOM 946 CA PRO A 90 -11.837 -16.163 9.122 1.00 0.00 C ATOM 947 C PRO A 90 -11.767 -14.844 9.910 1.00 0.00 C ATOM 948 O PRO A 90 -12.796 -14.337 10.361 1.00 0.00 O ATOM 949 CB PRO A 90 -11.968 -17.371 10.055 1.00 0.00 C ATOM 950 CG PRO A 90 -10.518 -17.798 10.288 1.00 0.00 C ATOM 951 CD PRO A 90 -9.838 -17.475 8.958 1.00 0.00 C ATOM 0 HA PRO A 90 -12.708 -16.033 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.464 -17.106 10.989 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.554 -18.169 9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.065 -17.250 11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.445 -18.858 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.817 -17.130 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.779 -18.362 8.328 1.00 0.00 H new ATOM 959 N ALA A 91 -10.567 -14.267 10.083 1.00 0.00 N ATOM 960 CA ALA A 91 -10.380 -13.013 10.807 1.00 0.00 C ATOM 961 C ALA A 91 -10.662 -11.783 9.928 1.00 0.00 C ATOM 962 O ALA A 91 -10.662 -10.667 10.444 1.00 0.00 O ATOM 963 CB ALA A 91 -8.955 -12.966 11.372 1.00 0.00 C ATOM 0 H ALA A 91 -9.700 -14.664 9.721 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.101 -12.980 11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.809 -12.032 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.805 -13.806 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.237 -13.027 10.554 1.00 0.00 H new ATOM 969 N VAL A 92 -10.885 -11.963 8.618 1.00 0.00 N ATOM 970 CA VAL A 92 -11.039 -10.861 7.661 1.00 0.00 C ATOM 971 C VAL A 92 -12.229 -11.113 6.720 1.00 0.00 C ATOM 972 O VAL A 92 -12.801 -10.166 6.181 1.00 0.00 O ATOM 973 CB VAL A 92 -9.708 -10.642 6.898 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.715 -9.350 6.075 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.470 -10.595 7.812 1.00 0.00 C ATOM 0 H VAL A 92 -10.964 -12.886 8.191 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.265 -9.940 8.199 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.638 -11.513 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.761 -9.242 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.521 -9.390 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.868 -8.498 6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.577 -10.439 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.574 -9.776 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.382 -11.537 8.354 1.00 0.00 H new ATOM 985 N VAL A 93 -12.653 -12.366 6.549 1.00 0.00 N ATOM 986 CA VAL A 93 -13.638 -12.818 5.571 1.00 0.00 C ATOM 987 C VAL A 93 -14.553 -13.832 6.275 1.00 0.00 C ATOM 988 O VAL A 93 -14.234 -14.348 7.349 1.00 0.00 O ATOM 989 CB VAL A 93 -12.864 -13.375 4.348 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.658 -14.216 3.329 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.159 -12.225 3.603 1.00 0.00 C ATOM 0 H VAL A 93 -12.298 -13.132 7.121 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.284 -12.026 5.192 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.163 -14.080 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.993 -14.540 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.078 -15.090 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.465 -13.614 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.618 -12.625 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.902 -11.505 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.458 -11.731 4.276 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.718 -14.091 5.685 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.803 -14.892 6.254 1.00 0.00 C ATOM 1003 C ARG A 94 -17.437 -15.655 5.100 1.00 0.00 C ATOM 1004 O ARG A 94 -17.358 -15.196 3.966 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.774 -13.924 6.961 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.002 -14.595 7.606 1.00 0.00 C ATOM 1007 CD ARG A 94 -19.937 -13.553 8.237 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.791 -12.884 7.235 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.029 -13.268 6.885 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.559 -14.391 7.358 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.751 -12.529 6.054 1.00 0.00 N ATOM 0 H ARG A 94 -15.943 -13.733 4.757 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.474 -15.618 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.227 -13.382 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.119 -13.186 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.545 -15.166 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.675 -15.303 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.567 -14.038 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.342 -12.805 8.761 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.408 -12.061 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.024 -14.977 7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.501 -14.667 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -22.367 -11.663 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.691 -12.827 5.792 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.078 -16.791 5.346 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.745 -17.579 4.312 1.00 0.00 C ATOM 1027 C ILE A 95 -20.034 -18.186 4.875 1.00 0.00 C ATOM 1028 O ILE A 95 -20.131 -18.437 6.077 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.784 -18.655 3.739 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.289 -19.649 4.807 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.577 -18.015 3.021 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.367 -20.739 4.251 1.00 0.00 C ATOM 0 H ILE A 95 -18.151 -17.197 6.279 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.021 -16.931 3.480 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.372 -19.217 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.760 -19.099 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.151 -20.120 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.927 -18.799 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.931 -17.396 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.020 -17.397 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.058 -21.402 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.899 -21.314 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.487 -20.278 3.804 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.000 -18.449 3.995 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.212 -19.211 4.276 1.00 0.00 C ATOM 1046 C GLU A 96 -22.320 -20.282 3.189 1.00 0.00 C ATOM 1047 O GLU A 96 -22.667 -19.975 2.044 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.461 -18.306 4.284 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.531 -17.391 5.519 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.825 -16.550 5.583 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.914 -17.032 5.189 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -24.753 -15.383 6.044 1.00 0.00 O ATOM 0 H GLU A 96 -20.956 -18.123 3.029 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.157 -19.662 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.464 -17.692 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.355 -18.929 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.457 -18.001 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.671 -16.722 5.516 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.977 -21.529 3.528 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.235 -22.682 2.676 1.00 0.00 C ATOM 1061 C ALA A 97 -23.714 -23.037 2.830 1.00 0.00 C ATOM 1062 O ALA A 97 -24.175 -23.353 3.931 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.318 -23.850 3.056 1.00 0.00 C ATOM 0 H ALA A 97 -21.511 -21.762 4.405 1.00 0.00 H new ATOM 0 HA ALA A 97 -22.020 -22.455 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.526 -24.702 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.277 -23.549 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.498 -24.131 4.094 1.00 0.00 H new ATOM 1069 N SER A 98 -24.466 -22.910 1.740 1.00 0.00 N ATOM 1070 CA SER A 98 -25.889 -23.164 1.693 1.00 0.00 C ATOM 1071 C SER A 98 -26.145 -24.671 1.756 1.00 0.00 C ATOM 1072 O SER A 98 -25.317 -25.490 1.347 1.00 0.00 O ATOM 1073 CB SER A 98 -26.446 -22.547 0.401 1.00 0.00 C ATOM 1074 OG SER A 98 -27.834 -22.808 0.267 1.00 0.00 O ATOM 0 H SER A 98 -24.083 -22.618 0.841 1.00 0.00 H new ATOM 0 HA SER A 98 -26.394 -22.711 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.274 -21.471 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.912 -22.952 -0.459 1.00 0.00 H new ATOM 0 HG SER A 98 -28.164 -22.403 -0.562 1.00 0.00 H new ATOM 1080 N ARG A 99 -27.354 -25.031 2.196 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.866 -26.404 2.128 1.00 0.00 C ATOM 1082 C ARG A 99 -27.970 -26.909 0.683 1.00 0.00 C ATOM 1083 O ARG A 99 -27.979 -28.123 0.467 1.00 0.00 O ATOM 1084 CB ARG A 99 -29.173 -26.544 2.940 1.00 0.00 C ATOM 1085 CG ARG A 99 -30.335 -25.572 2.635 1.00 0.00 C ATOM 1086 CD ARG A 99 -31.025 -25.728 1.271 1.00 0.00 C ATOM 1087 NE ARG A 99 -31.576 -27.085 1.072 1.00 0.00 N ATOM 1088 CZ ARG A 99 -31.800 -27.693 -0.103 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -31.500 -27.100 -1.257 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -32.333 -28.913 -0.111 1.00 0.00 N ATOM 0 H ARG A 99 -28.011 -24.372 2.613 1.00 0.00 H new ATOM 0 HA ARG A 99 -27.142 -27.066 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -29.544 -27.559 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -28.921 -26.440 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -31.089 -25.689 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -29.955 -24.553 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -31.829 -24.996 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -30.310 -25.509 0.478 1.00 0.00 H new ATOM 0 HE ARG A 99 -31.810 -27.613 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -31.092 -26.165 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -31.679 -27.580 -2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -32.566 -29.374 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -32.509 -29.387 -0.997 1.00 0.00 H new ATOM 1104 N SER A 100 -28.010 -26.005 -0.304 1.00 0.00 N ATOM 1105 CA SER A 100 -28.038 -26.359 -1.724 1.00 0.00 C ATOM 1106 C SER A 100 -26.645 -26.749 -2.258 1.00 0.00 C ATOM 1107 O SER A 100 -26.539 -27.212 -3.398 1.00 0.00 O ATOM 1108 CB SER A 100 -28.635 -25.186 -2.507 1.00 0.00 C ATOM 1109 OG SER A 100 -29.876 -24.798 -1.930 1.00 0.00 O ATOM 0 H SER A 100 -28.024 -24.999 -0.135 1.00 0.00 H new ATOM 0 HA SER A 100 -28.662 -27.243 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.943 -24.344 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.782 -25.471 -3.549 1.00 0.00 H new ATOM 0 HG SER A 100 -30.251 -24.046 -2.435 1.00 0.00 H new ATOM 1115 N GLY A 101 -25.579 -26.574 -1.465 1.00 0.00 N ATOM 1116 CA GLY A 101 -24.217 -26.961 -1.814 1.00 0.00 C ATOM 1117 C GLY A 101 -23.391 -25.806 -2.391 1.00 0.00 C ATOM 1118 O GLY A 101 -22.183 -25.966 -2.574 1.00 0.00 O ATOM 0 H GLY A 101 -25.648 -26.148 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.717 -27.349 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -24.252 -27.773 -2.540 1.00 0.00 H new ATOM 1122 N GLU A 102 -24.008 -24.651 -2.674 1.00 0.00 N ATOM 1123 CA GLU A 102 -23.280 -23.432 -3.014 1.00 0.00 C ATOM 1124 C GLU A 102 -22.652 -22.871 -1.738 1.00 0.00 C ATOM 1125 O GLU A 102 -23.049 -23.229 -0.628 1.00 0.00 O ATOM 1126 CB GLU A 102 -24.242 -22.402 -3.635 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.527 -22.672 -5.120 1.00 0.00 C ATOM 1128 CD GLU A 102 -23.403 -22.206 -6.075 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -22.227 -22.076 -5.654 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -23.705 -21.967 -7.270 1.00 0.00 O ATOM 0 H GLU A 102 -25.022 -24.541 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 102 -22.499 -23.652 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -25.181 -22.410 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.817 -21.404 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -24.687 -23.741 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.455 -22.172 -5.397 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.716 -21.935 -1.880 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.184 -21.155 -0.771 1.00 0.00 C ATOM 1139 C ILE A 103 -21.117 -19.719 -1.241 1.00 0.00 C ATOM 1140 O ILE A 103 -20.670 -19.463 -2.358 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.844 -21.723 -0.238 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.140 -20.789 0.775 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.864 -22.174 -1.323 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.182 -19.748 0.163 1.00 0.00 C ATOM 0 H ILE A 103 -21.302 -21.696 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.835 -21.212 0.101 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.152 -22.624 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.903 -20.262 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.579 -21.403 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.956 -22.556 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.322 -22.960 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.615 -21.327 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.743 -19.146 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.390 -20.260 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.735 -19.101 -0.518 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.538 -18.804 -0.374 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.550 -17.368 -0.602 1.00 0.00 C ATOM 1158 C VAL A 104 -20.503 -16.781 0.343 1.00 0.00 C ATOM 1159 O VAL A 104 -20.501 -17.090 1.536 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.969 -16.813 -0.332 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.059 -15.353 -0.797 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.084 -17.616 -1.035 1.00 0.00 C ATOM 0 H VAL A 104 -21.896 -19.057 0.547 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.308 -17.103 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.126 -16.896 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.061 -14.971 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.330 -14.752 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.850 -15.298 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.053 -17.173 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.924 -17.594 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.064 -18.648 -0.686 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.586 -15.981 -0.188 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.526 -15.334 0.567 1.00 0.00 C ATOM 1174 C CYS A 105 -18.973 -13.938 0.992 1.00 0.00 C ATOM 1175 O CYS A 105 -19.712 -13.289 0.253 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.274 -15.220 -0.317 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.003 -16.717 -1.307 1.00 0.00 S ATOM 0 H CYS A 105 -19.561 -15.760 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.300 -15.925 1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.375 -14.360 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.402 -15.038 0.311 1.00 0.00 H new ATOM 0 HG CYS A 105 -17.866 -16.757 -2.278 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.437 -13.457 2.115 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.701 -12.151 2.715 1.00 0.00 C ATOM 1185 C TYR A 106 -17.431 -11.616 3.365 1.00 0.00 C ATOM 1186 O TYR A 106 -16.469 -12.357 3.552 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.761 -12.313 3.804 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.115 -12.694 3.287 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.914 -11.718 2.664 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.571 -14.020 3.435 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.202 -12.046 2.232 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.838 -14.366 2.939 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.667 -13.381 2.346 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.904 -13.731 1.891 1.00 0.00 O ATOM 0 H TYR A 106 -17.769 -14.001 2.660 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.041 -11.462 1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.427 -13.072 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.845 -11.377 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.533 -10.718 2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.954 -14.760 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.842 -11.284 1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.183 -15.387 3.010 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.053 -14.686 2.051 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.419 -10.335 3.734 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.301 -9.736 4.458 1.00 0.00 C ATOM 1206 C ALA A 107 -16.523 -9.851 5.969 1.00 0.00 C ATOM 1207 O ALA A 107 -17.617 -10.188 6.421 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.182 -8.258 4.078 1.00 0.00 C ATOM 0 H ALA A 107 -18.182 -9.686 3.540 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.386 -10.264 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.348 -7.810 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.009 -8.171 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.104 -7.740 4.340 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.487 -9.507 6.735 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.558 -9.355 8.194 1.00 0.00 C ATOM 1216 C VAL A 108 -14.667 -8.215 8.728 1.00 0.00 C ATOM 1217 O VAL A 108 -15.011 -7.636 9.762 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.297 -10.735 8.861 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.164 -10.789 9.895 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.573 -11.256 9.534 1.00 0.00 C ATOM 0 H VAL A 108 -14.558 -9.322 6.356 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.563 -9.036 8.470 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.978 -11.360 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.079 -11.802 10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.225 -10.504 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.383 -10.100 10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.372 -12.223 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.896 -10.549 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.359 -11.367 8.787 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.574 -7.848 8.044 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.707 -6.725 8.409 1.00 0.00 C ATOM 1232 C ALA A 109 -12.160 -6.085 7.129 1.00 0.00 C ATOM 1233 O ALA A 109 -11.089 -5.436 7.168 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.580 -7.200 9.342 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.826 -6.237 6.082 1.00 0.00 O ATOM 0 H ALA A 109 -13.264 -8.336 7.204 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.276 -5.973 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.944 -6.354 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.012 -7.624 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.984 -7.959 8.835 1.00 0.00 H new TER 1241 ALA A 109