USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.33 (180deg=0.332) USER MOD Single : A 8 SER OG : rot -135:sc= 0.0788 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.362 (180deg=-0.752) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 70:sc= 0.644 USER MOD Single : A 16 MET CE :methyl 141:sc= -0.115 (180deg=-1.05) USER MOD Single : A 18 SER OG : rot -139:sc= 0.784 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 32:sc= -0.175 USER MOD Single : A 34 SER OG : rot 31:sc= 0.00169 USER MOD Single : A 36 ASN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0768 K(o=-0.077,f=-4.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00198) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 140:sc= -0.127 USER MOD Single : A 70 ASN : amide:sc= 0.326 X(o=0.33,f=-0.071) USER MOD Single : A 74 ASN : amide:sc= -0.951 X(o=-0.95,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 80 LYS NZ :NH3+ -104:sc= -0.43 (180deg=-1.35!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 95 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 102 SER OG : rot -35:sc= 0.678 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.931 0.265 11.542 1.00 0.00 N ATOM 2 CA MET A 1 12.407 -0.823 10.701 1.00 0.00 C ATOM 3 C MET A 1 10.895 -0.961 10.790 1.00 0.00 C ATOM 4 O MET A 1 10.340 -0.861 11.882 1.00 0.00 O ATOM 5 CB MET A 1 13.116 -2.162 10.968 1.00 0.00 C ATOM 6 CG MET A 1 12.817 -2.825 12.314 1.00 0.00 C ATOM 7 SD MET A 1 13.163 -1.827 13.788 1.00 0.00 S ATOM 8 CE MET A 1 12.825 -3.115 14.998 1.00 0.00 C ATOM 0 H1 MET A 1 13.687 0.765 11.032 1.00 0.00 H new ATOM 0 H2 MET A 1 12.164 0.932 11.765 1.00 0.00 H new ATOM 0 H3 MET A 1 13.312 -0.131 12.425 1.00 0.00 H new ATOM 0 HA MET A 1 12.634 -0.539 9.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.844 -2.858 10.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.192 -2.001 10.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.765 -3.109 12.331 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.396 -3.746 12.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.977 -2.720 16.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.794 -3.452 14.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.500 -3.955 14.833 1.00 0.00 H new ATOM 18 N ALA A 2 10.239 -1.198 9.648 1.00 0.00 N ATOM 19 CA ALA A 2 8.927 -1.817 9.516 1.00 0.00 C ATOM 20 C ALA A 2 8.731 -2.249 8.064 1.00 0.00 C ATOM 21 O ALA A 2 9.292 -1.646 7.142 1.00 0.00 O ATOM 22 CB ALA A 2 7.817 -0.832 9.900 1.00 0.00 C ATOM 0 H ALA A 2 10.637 -0.946 8.743 1.00 0.00 H new ATOM 0 HA ALA A 2 8.874 -2.677 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.847 -1.317 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.953 -0.516 10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.861 0.039 9.246 1.00 0.00 H new ATOM 28 N ARG A 3 7.896 -3.261 7.835 1.00 0.00 N ATOM 29 CA ARG A 3 7.559 -3.699 6.481 1.00 0.00 C ATOM 30 C ARG A 3 6.496 -2.791 5.904 1.00 0.00 C ATOM 31 O ARG A 3 5.383 -2.738 6.430 1.00 0.00 O ATOM 32 CB ARG A 3 7.028 -5.125 6.523 1.00 0.00 C ATOM 33 CG ARG A 3 8.186 -6.125 6.555 1.00 0.00 C ATOM 34 CD ARG A 3 7.647 -7.528 6.794 1.00 0.00 C ATOM 35 NE ARG A 3 8.635 -8.418 7.410 1.00 0.00 N ATOM 36 CZ ARG A 3 8.660 -9.745 7.258 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.616 -10.366 6.714 1.00 0.00 N ATOM 38 NH2 ARG A 3 9.731 -10.439 7.622 1.00 0.00 N ATOM 0 H ARG A 3 7.438 -3.796 8.573 1.00 0.00 H new ATOM 0 HA ARG A 3 8.453 -3.659 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.399 -5.260 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.401 -5.312 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.734 -6.091 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.889 -5.856 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.767 -7.470 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.322 -7.954 5.845 1.00 0.00 H new ATOM 0 HE ARG A 3 9.354 -7.994 7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.802 -9.829 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.630 -11.379 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.539 -9.959 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.746 -11.452 7.504 1.00 0.00 H new ATOM 52 N VAL A 4 6.827 -2.105 4.819 1.00 0.00 N ATOM 53 CA VAL A 4 5.878 -1.305 4.066 1.00 0.00 C ATOM 54 C VAL A 4 5.323 -2.189 2.957 1.00 0.00 C ATOM 55 O VAL A 4 6.074 -2.978 2.383 1.00 0.00 O ATOM 56 CB VAL A 4 6.595 -0.001 3.620 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.166 -0.070 2.216 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.726 1.245 3.722 1.00 0.00 C ATOM 0 H VAL A 4 7.772 -2.090 4.435 1.00 0.00 H new ATOM 0 HA VAL A 4 5.013 -0.969 4.638 1.00 0.00 H new ATOM 0 HB VAL A 4 7.415 0.082 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.651 0.875 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.896 -0.878 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.362 -0.258 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.296 2.114 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.846 1.128 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.413 1.386 4.756 1.00 0.00 H new ATOM 68 N ALA A 5 4.031 -2.068 2.644 1.00 0.00 N ATOM 69 CA ALA A 5 3.528 -2.548 1.362 1.00 0.00 C ATOM 70 C ALA A 5 3.426 -1.330 0.432 1.00 0.00 C ATOM 71 O ALA A 5 3.232 -0.203 0.904 1.00 0.00 O ATOM 72 CB ALA A 5 2.184 -3.251 1.528 1.00 0.00 C ATOM 0 H ALA A 5 3.327 -1.649 3.251 1.00 0.00 H new ATOM 0 HA ALA A 5 4.203 -3.289 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.833 -3.599 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.299 -4.103 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.459 -2.554 1.948 1.00 0.00 H new ATOM 78 N ILE A 6 3.508 -1.533 -0.878 1.00 0.00 N ATOM 79 CA ILE A 6 3.337 -0.501 -1.888 1.00 0.00 C ATOM 80 C ILE A 6 2.386 -1.061 -2.962 1.00 0.00 C ATOM 81 O ILE A 6 2.641 -2.147 -3.491 1.00 0.00 O ATOM 82 CB ILE A 6 4.681 -0.045 -2.488 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.736 0.371 -1.445 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.460 1.103 -3.482 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.681 -0.783 -1.082 1.00 0.00 C ATOM 0 H ILE A 6 3.702 -2.452 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 6 2.909 0.394 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 6 5.083 -0.921 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.318 1.206 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.234 0.724 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.418 1.414 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.808 0.766 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.997 1.945 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.406 -0.441 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.104 -1.609 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.205 -1.119 -1.977 1.00 0.00 H new ATOM 97 N PRO A 7 1.288 -0.354 -3.274 1.00 0.00 N ATOM 98 CA PRO A 7 0.319 -0.690 -4.292 1.00 0.00 C ATOM 99 C PRO A 7 0.908 -0.409 -5.671 1.00 0.00 C ATOM 100 O PRO A 7 1.038 0.747 -6.062 1.00 0.00 O ATOM 101 CB PRO A 7 -0.891 0.191 -3.968 1.00 0.00 C ATOM 102 CG PRO A 7 -0.357 1.402 -3.231 1.00 0.00 C ATOM 103 CD PRO A 7 0.926 0.891 -2.641 1.00 0.00 C ATOM 0 HA PRO A 7 0.036 -1.743 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.409 0.489 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.611 -0.350 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.187 2.243 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.048 1.745 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.720 1.625 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.811 0.745 -1.567 1.00 0.00 H new ATOM 111 N SER A 8 1.261 -1.458 -6.398 1.00 0.00 N ATOM 112 CA SER A 8 1.842 -1.402 -7.725 1.00 0.00 C ATOM 113 C SER A 8 0.775 -1.777 -8.766 1.00 0.00 C ATOM 114 O SER A 8 -0.318 -2.260 -8.443 1.00 0.00 O ATOM 115 CB SER A 8 2.997 -2.407 -7.715 1.00 0.00 C ATOM 116 OG SER A 8 3.626 -2.529 -8.967 1.00 0.00 O ATOM 0 H SER A 8 1.144 -2.414 -6.061 1.00 0.00 H new ATOM 0 HA SER A 8 2.203 -0.407 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.733 -2.100 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.621 -3.382 -7.406 1.00 0.00 H new ATOM 0 HG SER A 8 3.765 -3.477 -9.172 1.00 0.00 H new ATOM 122 N VAL A 9 1.137 -1.604 -10.033 1.00 0.00 N ATOM 123 CA VAL A 9 0.473 -2.161 -11.197 1.00 0.00 C ATOM 124 C VAL A 9 1.531 -2.836 -12.091 1.00 0.00 C ATOM 125 O VAL A 9 1.650 -2.537 -13.284 1.00 0.00 O ATOM 126 CB VAL A 9 -0.352 -1.070 -11.917 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.575 -0.664 -11.094 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.433 0.222 -12.210 1.00 0.00 C ATOM 0 H VAL A 9 1.948 -1.039 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.246 -2.928 -10.910 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.635 -1.533 -12.862 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.134 0.105 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.213 -1.534 -10.937 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.251 -0.273 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.217 0.936 -12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.786 0.653 -11.273 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.286 -0.008 -12.848 1.00 0.00 H new ATOM 138 N GLY A 10 2.346 -3.728 -11.526 1.00 0.00 N ATOM 139 CA GLY A 10 3.284 -4.559 -12.266 1.00 0.00 C ATOM 140 C GLY A 10 4.167 -5.369 -11.324 1.00 0.00 C ATOM 141 O GLY A 10 3.925 -5.413 -10.116 1.00 0.00 O ATOM 0 H GLY A 10 2.369 -3.893 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.736 -5.233 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.907 -3.930 -12.902 1.00 0.00 H new ATOM 145 N LYS A 11 5.206 -5.997 -11.879 1.00 0.00 N ATOM 146 CA LYS A 11 6.164 -6.835 -11.162 1.00 0.00 C ATOM 147 C LYS A 11 7.616 -6.444 -11.480 1.00 0.00 C ATOM 148 O LYS A 11 8.436 -7.285 -11.848 1.00 0.00 O ATOM 149 CB LYS A 11 5.926 -8.313 -11.476 1.00 0.00 C ATOM 150 CG LYS A 11 4.576 -8.916 -11.169 1.00 0.00 C ATOM 151 CD LYS A 11 4.699 -10.455 -11.065 1.00 0.00 C ATOM 152 CE LYS A 11 4.564 -11.227 -12.385 1.00 0.00 C ATOM 153 NZ LYS A 11 5.447 -10.729 -13.456 1.00 0.00 N ATOM 0 H LYS A 11 5.409 -5.932 -12.877 1.00 0.00 H new ATOM 0 HA LYS A 11 6.007 -6.672 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.118 -8.459 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.676 -8.890 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.190 -8.509 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.863 -8.651 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.666 -10.694 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.936 -10.816 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.784 -12.279 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.530 -11.172 -12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.510 -11.440 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.059 -9.845 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.396 -10.550 -13.069 1.00 0.00 H new ATOM 167 N ASP A 12 7.945 -5.168 -11.325 1.00 0.00 N ATOM 168 CA ASP A 12 9.305 -4.630 -11.295 1.00 0.00 C ATOM 169 C ASP A 12 9.364 -3.619 -10.160 1.00 0.00 C ATOM 170 O ASP A 12 8.336 -3.174 -9.653 1.00 0.00 O ATOM 171 CB ASP A 12 9.634 -3.938 -12.629 1.00 0.00 C ATOM 172 CG ASP A 12 10.973 -4.320 -13.257 1.00 0.00 C ATOM 173 OD1 ASP A 12 12.036 -4.274 -12.585 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.997 -4.481 -14.501 1.00 0.00 O ATOM 0 H ASP A 12 7.238 -4.442 -11.211 1.00 0.00 H new ATOM 0 HA ASP A 12 10.030 -5.430 -11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.841 -4.165 -13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.621 -2.860 -12.471 1.00 0.00 H new ATOM 179 N LEU A 13 10.551 -3.180 -9.769 1.00 0.00 N ATOM 180 CA LEU A 13 10.661 -2.108 -8.765 1.00 0.00 C ATOM 181 C LEU A 13 10.478 -0.729 -9.411 1.00 0.00 C ATOM 182 O LEU A 13 10.307 0.278 -8.735 1.00 0.00 O ATOM 183 CB LEU A 13 11.982 -2.270 -8.014 1.00 0.00 C ATOM 184 CG LEU A 13 12.080 -1.825 -6.545 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.901 -0.325 -6.379 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.139 -2.598 -5.609 1.00 0.00 C ATOM 0 H LEU A 13 11.441 -3.535 -10.118 1.00 0.00 H new ATOM 0 HA LEU A 13 9.858 -2.186 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.253 -3.325 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.743 -1.724 -8.572 1.00 0.00 H new ATOM 0 HG LEU A 13 13.097 -2.074 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.979 -0.064 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.675 0.198 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.920 -0.032 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.260 -2.233 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.107 -2.450 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.381 -3.660 -5.646 1.00 0.00 H new ATOM 198 N SER A 14 10.385 -0.678 -10.733 1.00 0.00 N ATOM 199 CA SER A 14 9.982 0.508 -11.456 1.00 0.00 C ATOM 200 C SER A 14 8.667 0.222 -12.185 1.00 0.00 C ATOM 201 O SER A 14 8.467 0.684 -13.314 1.00 0.00 O ATOM 202 CB SER A 14 11.109 0.853 -12.410 1.00 0.00 C ATOM 203 OG SER A 14 11.062 2.191 -12.856 1.00 0.00 O ATOM 0 H SER A 14 10.592 -1.474 -11.337 1.00 0.00 H new ATOM 0 HA SER A 14 9.805 1.357 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.064 0.674 -11.916 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.066 0.187 -13.271 1.00 0.00 H new ATOM 0 HG SER A 14 11.811 2.359 -13.466 1.00 0.00 H new ATOM 209 N SER A 15 7.743 -0.513 -11.554 1.00 0.00 N ATOM 210 CA SER A 15 6.376 -0.488 -12.062 1.00 0.00 C ATOM 211 C SER A 15 5.732 0.811 -11.572 1.00 0.00 C ATOM 212 O SER A 15 6.256 1.445 -10.655 1.00 0.00 O ATOM 213 CB SER A 15 5.520 -1.620 -11.489 1.00 0.00 C ATOM 214 OG SER A 15 6.136 -2.882 -11.519 1.00 0.00 O ATOM 0 H SER A 15 7.906 -1.100 -10.736 1.00 0.00 H new ATOM 0 HA SER A 15 6.421 -0.584 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.262 -1.379 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.585 -1.671 -12.047 1.00 0.00 H new ATOM 0 HG SER A 15 6.877 -2.900 -10.878 1.00 0.00 H new ATOM 220 N MET A 16 4.559 1.173 -12.074 1.00 0.00 N ATOM 221 CA MET A 16 3.873 2.370 -11.602 1.00 0.00 C ATOM 222 C MET A 16 3.192 2.057 -10.264 1.00 0.00 C ATOM 223 O MET A 16 2.729 0.933 -10.050 1.00 0.00 O ATOM 224 CB MET A 16 2.838 2.769 -12.669 1.00 0.00 C ATOM 225 CG MET A 16 3.344 3.904 -13.569 1.00 0.00 C ATOM 226 SD MET A 16 2.285 5.376 -13.614 1.00 0.00 S ATOM 227 CE MET A 16 2.129 5.728 -11.837 1.00 0.00 C ATOM 0 H MET A 16 4.065 0.659 -12.803 1.00 0.00 H new ATOM 0 HA MET A 16 4.569 3.195 -11.446 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.597 1.901 -13.282 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.915 3.079 -12.180 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.337 4.200 -13.232 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.453 3.522 -14.584 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.161 6.805 -11.675 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.181 5.334 -11.470 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.951 5.256 -11.299 1.00 0.00 H new ATOM 237 N VAL A 17 3.146 3.037 -9.356 1.00 0.00 N ATOM 238 CA VAL A 17 2.363 2.951 -8.117 1.00 0.00 C ATOM 239 C VAL A 17 0.928 3.408 -8.408 1.00 0.00 C ATOM 240 O VAL A 17 0.674 4.337 -9.176 1.00 0.00 O ATOM 241 CB VAL A 17 3.079 3.699 -6.966 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.344 3.850 -5.627 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.352 2.934 -6.631 1.00 0.00 C ATOM 0 H VAL A 17 3.653 3.916 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 17 2.289 1.923 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 17 3.199 4.707 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.975 4.395 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.415 4.399 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.119 2.863 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.878 3.440 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.097 1.921 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.994 2.893 -7.511 1.00 0.00 H new ATOM 253 N SER A 18 -0.027 2.673 -7.848 1.00 0.00 N ATOM 254 CA SER A 18 -1.459 2.764 -8.098 1.00 0.00 C ATOM 255 C SER A 18 -2.066 3.746 -7.109 1.00 0.00 C ATOM 256 O SER A 18 -1.741 3.643 -5.925 1.00 0.00 O ATOM 257 CB SER A 18 -2.024 1.349 -7.908 1.00 0.00 C ATOM 258 OG SER A 18 -3.320 1.193 -8.465 1.00 0.00 O ATOM 0 H SER A 18 0.195 1.951 -7.163 1.00 0.00 H new ATOM 0 HA SER A 18 -1.688 3.123 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.347 0.628 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.061 1.118 -6.843 1.00 0.00 H new ATOM 0 HG SER A 18 -3.873 0.656 -7.860 1.00 0.00 H new ATOM 264 N ASP A 19 -2.981 4.637 -7.521 1.00 0.00 N ATOM 265 CA ASP A 19 -3.445 5.738 -6.660 1.00 0.00 C ATOM 266 C ASP A 19 -4.528 5.249 -5.668 1.00 0.00 C ATOM 267 O ASP A 19 -5.523 5.920 -5.377 1.00 0.00 O ATOM 268 CB ASP A 19 -4.137 6.854 -7.480 1.00 0.00 C ATOM 269 CG ASP A 19 -3.409 7.501 -8.645 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.180 7.353 -8.805 1.00 0.00 O ATOM 271 OD2 ASP A 19 -4.137 8.114 -9.469 1.00 0.00 O ATOM 0 H ASP A 19 -3.414 4.617 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.553 6.105 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.068 6.441 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.406 7.649 -6.784 1.00 0.00 H new ATOM 276 N ARG A 20 -4.408 4.023 -5.165 1.00 0.00 N ATOM 277 CA ARG A 20 -5.549 3.286 -4.644 1.00 0.00 C ATOM 278 C ARG A 20 -4.947 2.048 -4.030 1.00 0.00 C ATOM 279 O ARG A 20 -4.600 1.131 -4.761 1.00 0.00 O ATOM 280 CB ARG A 20 -6.565 2.913 -5.767 1.00 0.00 C ATOM 281 CG ARG A 20 -6.115 3.131 -7.228 1.00 0.00 C ATOM 282 CD ARG A 20 -7.086 2.621 -8.291 1.00 0.00 C ATOM 283 NE ARG A 20 -6.871 3.360 -9.552 1.00 0.00 N ATOM 284 CZ ARG A 20 -7.697 3.474 -10.598 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.879 2.871 -10.586 1.00 0.00 N ATOM 286 NH2 ARG A 20 -7.333 4.199 -11.649 1.00 0.00 N ATOM 0 H ARG A 20 -3.523 3.518 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.118 3.878 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.829 1.862 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.475 3.490 -5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.955 4.197 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.153 2.640 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.936 1.554 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.114 2.751 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.978 3.846 -9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.161 2.318 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.505 2.961 -11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.426 4.666 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.960 4.288 -12.449 1.00 0.00 H new ATOM 300 N PHE A 21 -4.800 2.002 -2.707 1.00 0.00 N ATOM 301 CA PHE A 21 -4.337 0.792 -2.052 1.00 0.00 C ATOM 302 C PHE A 21 -5.220 -0.389 -2.425 1.00 0.00 C ATOM 303 O PHE A 21 -4.739 -1.369 -2.977 1.00 0.00 O ATOM 304 CB PHE A 21 -4.313 1.007 -0.532 1.00 0.00 C ATOM 305 CG PHE A 21 -4.142 -0.262 0.266 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.147 -1.182 -0.105 1.00 0.00 C ATOM 307 CD2 PHE A 21 -4.993 -0.545 1.348 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.008 -2.386 0.593 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.840 -1.744 2.057 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.838 -2.658 1.693 1.00 0.00 C ATOM 0 H PHE A 21 -4.994 2.782 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.325 0.566 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.501 1.691 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.241 1.492 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.488 -0.959 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.762 0.159 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.263 -3.106 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.495 -1.966 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.706 -3.569 2.258 1.00 0.00 H new ATOM 320 N ALA A 22 -6.515 -0.302 -2.124 1.00 0.00 N ATOM 321 CA ALA A 22 -7.376 -1.459 -2.255 1.00 0.00 C ATOM 322 C ALA A 22 -7.701 -1.792 -3.718 1.00 0.00 C ATOM 323 O ALA A 22 -8.376 -2.791 -3.946 1.00 0.00 O ATOM 324 CB ALA A 22 -8.641 -1.256 -1.419 1.00 0.00 C ATOM 0 H ALA A 22 -6.978 0.545 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.838 -2.326 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.287 -2.128 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.368 -1.125 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.170 -0.370 -1.769 1.00 0.00 H new ATOM 330 N ARG A 23 -7.262 -0.997 -4.708 1.00 0.00 N ATOM 331 CA ARG A 23 -7.230 -1.361 -6.104 1.00 0.00 C ATOM 332 C ARG A 23 -5.792 -1.194 -6.585 1.00 0.00 C ATOM 333 O ARG A 23 -5.466 -0.233 -7.288 1.00 0.00 O ATOM 334 CB ARG A 23 -8.212 -0.500 -6.881 1.00 0.00 C ATOM 335 CG ARG A 23 -9.614 -1.115 -6.953 1.00 0.00 C ATOM 336 CD ARG A 23 -10.501 -0.275 -7.891 1.00 0.00 C ATOM 337 NE ARG A 23 -10.915 -0.990 -9.106 1.00 0.00 N ATOM 338 CZ ARG A 23 -10.260 -1.118 -10.262 1.00 0.00 C ATOM 339 NH1 ARG A 23 -8.973 -0.801 -10.370 1.00 0.00 N ATOM 340 NH2 ARG A 23 -10.919 -1.575 -11.315 1.00 0.00 N ATOM 0 H ARG A 23 -6.911 -0.055 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.536 -2.395 -6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.275 0.483 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.834 -0.349 -7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.553 -2.141 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.056 -1.155 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.390 0.045 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.961 0.627 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.824 -1.450 -9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.464 -0.451 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.495 -0.908 -11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.906 -1.821 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.440 -1.682 -12.209 1.00 0.00 H new ATOM 354 N ALA A 24 -4.918 -2.112 -6.190 1.00 0.00 N ATOM 355 CA ALA A 24 -3.600 -2.206 -6.779 1.00 0.00 C ATOM 356 C ALA A 24 -3.327 -3.677 -7.030 1.00 0.00 C ATOM 357 O ALA A 24 -3.408 -4.480 -6.109 1.00 0.00 O ATOM 358 CB ALA A 24 -2.578 -1.599 -5.834 1.00 0.00 C ATOM 0 H ALA A 24 -5.105 -2.801 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.537 -1.657 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.585 -1.670 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.823 -0.552 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.592 -2.139 -4.887 1.00 0.00 H new ATOM 364 N GLU A 25 -3.088 -4.028 -8.284 1.00 0.00 N ATOM 365 CA GLU A 25 -3.039 -5.399 -8.780 1.00 0.00 C ATOM 366 C GLU A 25 -1.899 -6.225 -8.181 1.00 0.00 C ATOM 367 O GLU A 25 -1.975 -7.459 -8.186 1.00 0.00 O ATOM 368 CB GLU A 25 -2.844 -5.295 -10.297 1.00 0.00 C ATOM 369 CG GLU A 25 -4.067 -4.717 -11.014 1.00 0.00 C ATOM 370 CD GLU A 25 -4.012 -4.975 -12.529 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.269 -6.126 -12.966 1.00 0.00 O ATOM 372 OE2 GLU A 25 -3.709 -4.034 -13.298 1.00 0.00 O ATOM 0 H GLU A 25 -2.915 -3.339 -9.016 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.958 -5.912 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.977 -4.668 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.626 -6.284 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.974 -5.160 -10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.124 -3.644 -10.829 1.00 0.00 H new ATOM 379 N TYR A 26 -0.858 -5.558 -7.679 1.00 0.00 N ATOM 380 CA TYR A 26 0.326 -6.144 -7.104 1.00 0.00 C ATOM 381 C TYR A 26 0.664 -5.351 -5.845 1.00 0.00 C ATOM 382 O TYR A 26 0.429 -4.140 -5.791 1.00 0.00 O ATOM 383 CB TYR A 26 1.471 -6.096 -8.127 1.00 0.00 C ATOM 384 CG TYR A 26 1.231 -6.886 -9.404 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.665 -6.263 -10.534 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.682 -8.213 -9.501 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.589 -6.942 -11.763 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.612 -8.895 -10.728 1.00 0.00 C ATOM 389 CZ TYR A 26 1.072 -8.262 -11.868 1.00 0.00 C ATOM 390 OH TYR A 26 1.115 -8.881 -13.082 1.00 0.00 O ATOM 0 H TYR A 26 -0.830 -4.538 -7.668 1.00 0.00 H new ATOM 0 HA TYR A 26 0.168 -7.190 -6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.657 -5.055 -8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.378 -6.471 -7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.286 -5.255 -10.455 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.084 -8.710 -8.630 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.161 -6.453 -12.625 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.974 -9.910 -10.799 1.00 0.00 H new ATOM 0 HH TYR A 26 1.476 -9.786 -12.975 1.00 0.00 H new ATOM 400 N PHE A 27 1.249 -6.010 -4.848 1.00 0.00 N ATOM 401 CA PHE A 27 1.617 -5.402 -3.578 1.00 0.00 C ATOM 402 C PHE A 27 3.058 -5.770 -3.273 1.00 0.00 C ATOM 403 O PHE A 27 3.388 -6.936 -3.075 1.00 0.00 O ATOM 404 CB PHE A 27 0.679 -5.846 -2.454 1.00 0.00 C ATOM 405 CG PHE A 27 -0.733 -5.318 -2.560 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.945 -3.934 -2.639 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.836 -6.192 -2.564 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.246 -3.417 -2.696 1.00 0.00 C ATOM 409 CE2 PHE A 27 -3.138 -5.674 -2.671 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.345 -4.288 -2.738 1.00 0.00 C ATOM 0 H PHE A 27 1.484 -7.001 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 27 1.522 -4.319 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.644 -6.935 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.101 -5.527 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.100 -3.262 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.682 -7.258 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.403 -2.348 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.983 -6.346 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.347 -3.893 -2.822 1.00 0.00 H new ATOM 420 N ILE A 28 3.923 -4.771 -3.293 1.00 0.00 N ATOM 421 CA ILE A 28 5.365 -4.903 -3.164 1.00 0.00 C ATOM 422 C ILE A 28 5.626 -4.694 -1.682 1.00 0.00 C ATOM 423 O ILE A 28 5.215 -3.672 -1.149 1.00 0.00 O ATOM 424 CB ILE A 28 6.045 -3.877 -4.100 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.890 -4.175 -5.621 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.550 -3.818 -3.803 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.621 -4.895 -6.098 1.00 0.00 C ATOM 0 H ILE A 28 3.626 -3.801 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 28 5.776 -5.866 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 28 5.536 -2.935 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.953 -3.226 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.747 -4.772 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.023 -3.094 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.705 -3.517 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.992 -4.801 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.663 -5.029 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.552 -5.869 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.746 -4.299 -5.840 1.00 0.00 H new ATOM 439 N ILE A 29 6.217 -5.661 -0.989 1.00 0.00 N ATOM 440 CA ILE A 29 6.436 -5.589 0.452 1.00 0.00 C ATOM 441 C ILE A 29 7.921 -5.421 0.691 1.00 0.00 C ATOM 442 O ILE A 29 8.665 -6.391 0.578 1.00 0.00 O ATOM 443 CB ILE A 29 5.846 -6.810 1.183 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.329 -6.882 0.920 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.162 -6.720 2.690 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.707 -8.170 1.457 1.00 0.00 C ATOM 0 H ILE A 29 6.560 -6.523 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 29 5.910 -4.730 0.869 1.00 0.00 H new ATOM 0 HB ILE A 29 6.298 -7.727 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.841 -6.025 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.145 -6.812 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.742 -7.586 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.242 -6.701 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.725 -5.809 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.637 -8.173 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.174 -9.028 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.865 -8.229 2.534 1.00 0.00 H new ATOM 458 N TYR A 30 8.335 -4.192 0.979 1.00 0.00 N ATOM 459 CA TYR A 30 9.713 -3.838 1.267 1.00 0.00 C ATOM 460 C TYR A 30 9.927 -3.987 2.770 1.00 0.00 C ATOM 461 O TYR A 30 9.356 -3.253 3.582 1.00 0.00 O ATOM 462 CB TYR A 30 9.983 -2.392 0.830 1.00 0.00 C ATOM 463 CG TYR A 30 11.461 -2.058 0.771 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.232 -2.451 -0.337 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.077 -1.400 1.848 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.618 -2.204 -0.366 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.459 -1.141 1.824 1.00 0.00 C ATOM 468 CZ TYR A 30 14.239 -1.548 0.722 1.00 0.00 C ATOM 469 OH TYR A 30 15.587 -1.345 0.759 1.00 0.00 O ATOM 0 H TYR A 30 7.700 -3.395 1.019 1.00 0.00 H new ATOM 0 HA TYR A 30 10.398 -4.488 0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.539 -2.226 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.489 -1.711 1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.758 -2.946 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.487 -1.092 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.205 -2.515 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.925 -0.628 2.653 1.00 0.00 H new ATOM 0 HH TYR A 30 15.825 -0.877 1.586 1.00 0.00 H new ATOM 479 N ASP A 31 10.715 -4.982 3.130 1.00 0.00 N ATOM 480 CA ASP A 31 11.219 -5.261 4.462 1.00 0.00 C ATOM 481 C ASP A 31 12.406 -4.338 4.729 1.00 0.00 C ATOM 482 O ASP A 31 13.477 -4.522 4.142 1.00 0.00 O ATOM 483 CB ASP A 31 11.671 -6.735 4.486 1.00 0.00 C ATOM 484 CG ASP A 31 11.030 -7.579 5.551 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.109 -7.224 6.743 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.503 -8.652 5.179 1.00 0.00 O ATOM 0 H ASP A 31 11.044 -5.667 2.449 1.00 0.00 H new ATOM 0 HA ASP A 31 10.460 -5.094 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.459 -7.180 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.752 -6.766 4.621 1.00 0.00 H new ATOM 491 N THR A 32 12.260 -3.338 5.607 1.00 0.00 N ATOM 492 CA THR A 32 13.402 -2.498 5.975 1.00 0.00 C ATOM 493 C THR A 32 14.182 -3.229 7.074 1.00 0.00 C ATOM 494 O THR A 32 14.293 -2.737 8.193 1.00 0.00 O ATOM 495 CB THR A 32 12.956 -1.064 6.341 1.00 0.00 C ATOM 496 OG1 THR A 32 12.266 -1.075 7.567 1.00 0.00 O ATOM 497 CG2 THR A 32 12.071 -0.384 5.293 1.00 0.00 C ATOM 0 H THR A 32 11.382 -3.095 6.066 1.00 0.00 H new ATOM 0 HA THR A 32 14.075 -2.351 5.130 1.00 0.00 H new ATOM 0 HB THR A 32 13.877 -0.484 6.400 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.627 -1.784 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.807 0.617 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.612 -0.315 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.163 -0.969 5.148 1.00 0.00 H new ATOM 505 N GLU A 33 14.633 -4.445 6.777 1.00 0.00 N ATOM 506 CA GLU A 33 15.427 -5.273 7.670 1.00 0.00 C ATOM 507 C GLU A 33 16.633 -5.759 6.942 1.00 0.00 C ATOM 508 O GLU A 33 17.739 -5.508 7.414 1.00 0.00 O ATOM 509 CB GLU A 33 14.594 -6.436 8.232 1.00 0.00 C ATOM 510 CG GLU A 33 13.929 -6.069 9.567 1.00 0.00 C ATOM 511 CD GLU A 33 14.880 -6.285 10.748 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.667 -5.366 11.073 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.868 -7.400 11.318 1.00 0.00 O ATOM 0 H GLU A 33 14.448 -4.892 5.879 1.00 0.00 H new ATOM 0 HA GLU A 33 15.750 -4.678 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.828 -6.717 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.234 -7.307 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.611 -5.027 9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.032 -6.673 9.706 1.00 0.00 H new ATOM 520 N SER A 34 16.445 -6.289 5.740 1.00 0.00 N ATOM 521 CA SER A 34 17.554 -6.422 4.836 1.00 0.00 C ATOM 522 C SER A 34 17.164 -5.961 3.427 1.00 0.00 C ATOM 523 O SER A 34 17.626 -6.518 2.434 1.00 0.00 O ATOM 524 CB SER A 34 18.003 -7.896 4.897 1.00 0.00 C ATOM 525 OG SER A 34 19.055 -8.027 5.827 1.00 0.00 O ATOM 0 H SER A 34 15.550 -6.624 5.384 1.00 0.00 H new ATOM 0 HA SER A 34 18.390 -5.783 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.166 -8.531 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.330 -8.229 3.912 1.00 0.00 H new ATOM 0 HG SER A 34 18.944 -7.366 6.542 1.00 0.00 H new ATOM 531 N GLY A 35 16.362 -4.894 3.326 1.00 0.00 N ATOM 532 CA GLY A 35 15.884 -4.342 2.059 1.00 0.00 C ATOM 533 C GLY A 35 15.222 -5.381 1.145 1.00 0.00 C ATOM 534 O GLY A 35 15.228 -5.204 -0.077 1.00 0.00 O ATOM 0 H GLY A 35 16.022 -4.382 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.169 -3.546 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.723 -3.888 1.531 1.00 0.00 H new ATOM 538 N ASN A 36 14.740 -6.488 1.716 1.00 0.00 N ATOM 539 CA ASN A 36 14.131 -7.592 0.992 1.00 0.00 C ATOM 540 C ASN A 36 12.791 -7.112 0.450 1.00 0.00 C ATOM 541 O ASN A 36 12.141 -6.260 1.059 1.00 0.00 O ATOM 542 CB ASN A 36 13.964 -8.775 1.957 1.00 0.00 C ATOM 543 CG ASN A 36 13.268 -10.014 1.404 1.00 0.00 C ATOM 544 OD1 ASN A 36 12.555 -10.687 2.146 1.00 0.00 O ATOM 545 ND2 ASN A 36 13.502 -10.394 0.160 1.00 0.00 N ATOM 0 H ASN A 36 14.766 -6.639 2.724 1.00 0.00 H new ATOM 0 HA ASN A 36 14.749 -7.922 0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.952 -9.069 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.404 -8.429 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.089 -11.256 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.096 -9.825 -0.444 1.00 0.00 H new ATOM 552 N VAL A 37 12.377 -7.644 -0.690 1.00 0.00 N ATOM 553 CA VAL A 37 11.121 -7.320 -1.326 1.00 0.00 C ATOM 554 C VAL A 37 10.419 -8.601 -1.775 1.00 0.00 C ATOM 555 O VAL A 37 11.050 -9.560 -2.232 1.00 0.00 O ATOM 556 CB VAL A 37 11.283 -6.304 -2.473 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.056 -5.384 -2.482 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.526 -5.409 -2.377 1.00 0.00 C ATOM 0 H VAL A 37 12.925 -8.331 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 37 10.487 -6.824 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 37 11.391 -6.897 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.152 -4.657 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.156 -5.979 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.986 -4.861 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.551 -4.729 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.489 -4.832 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.422 -6.029 -2.381 1.00 0.00 H new ATOM 568 N GLU A 38 9.093 -8.573 -1.771 1.00 0.00 N ATOM 569 CA GLU A 38 8.180 -9.624 -2.204 1.00 0.00 C ATOM 570 C GLU A 38 7.153 -8.939 -3.098 1.00 0.00 C ATOM 571 O GLU A 38 6.698 -7.854 -2.740 1.00 0.00 O ATOM 572 CB GLU A 38 7.529 -10.236 -0.946 1.00 0.00 C ATOM 573 CG GLU A 38 6.252 -11.066 -1.169 1.00 0.00 C ATOM 574 CD GLU A 38 6.515 -12.416 -1.833 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.656 -12.487 -3.080 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.518 -13.438 -1.118 1.00 0.00 O ATOM 0 H GLU A 38 8.588 -7.751 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 38 8.669 -10.430 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.267 -10.870 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.294 -9.426 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.762 -11.231 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.559 -10.494 -1.787 1.00 0.00 H new ATOM 583 N VAL A 39 6.754 -9.562 -4.209 1.00 0.00 N ATOM 584 CA VAL A 39 5.672 -9.091 -5.066 1.00 0.00 C ATOM 585 C VAL A 39 4.492 -10.045 -4.888 1.00 0.00 C ATOM 586 O VAL A 39 4.482 -11.151 -5.437 1.00 0.00 O ATOM 587 CB VAL A 39 6.133 -8.965 -6.533 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.983 -8.503 -7.440 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.289 -7.965 -6.681 1.00 0.00 C ATOM 0 H VAL A 39 7.185 -10.425 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 39 5.361 -8.086 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 39 6.469 -9.957 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.339 -8.424 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.169 -9.227 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.623 -7.530 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.586 -7.904 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.966 -6.982 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.137 -8.298 -6.083 1.00 0.00 H new ATOM 599 N VAL A 40 3.487 -9.605 -4.135 1.00 0.00 N ATOM 600 CA VAL A 40 2.182 -10.248 -4.071 1.00 0.00 C ATOM 601 C VAL A 40 1.417 -9.828 -5.331 1.00 0.00 C ATOM 602 O VAL A 40 1.614 -8.721 -5.834 1.00 0.00 O ATOM 603 CB VAL A 40 1.484 -9.768 -2.772 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.050 -9.702 -2.838 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.912 -10.641 -1.585 1.00 0.00 C ATOM 0 H VAL A 40 3.560 -8.778 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 40 2.238 -11.336 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 40 1.816 -8.738 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.441 -9.356 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.351 -9.010 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.448 -10.693 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.415 -10.293 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.634 -11.677 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.992 -10.574 -1.454 1.00 0.00 H new ATOM 615 N GLU A 41 0.503 -10.681 -5.788 1.00 0.00 N ATOM 616 CA GLU A 41 -0.487 -10.412 -6.819 1.00 0.00 C ATOM 617 C GLU A 41 -1.849 -10.510 -6.120 1.00 0.00 C ATOM 618 O GLU A 41 -2.087 -11.461 -5.367 1.00 0.00 O ATOM 619 CB GLU A 41 -0.306 -11.456 -7.931 1.00 0.00 C ATOM 620 CG GLU A 41 -1.184 -11.185 -9.155 1.00 0.00 C ATOM 621 CD GLU A 41 -1.005 -12.286 -10.201 1.00 0.00 C ATOM 622 OE1 GLU A 41 0.048 -12.330 -10.876 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.929 -13.109 -10.419 1.00 0.00 O ATOM 0 H GLU A 41 0.433 -11.632 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.393 -9.431 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.740 -11.474 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.539 -12.444 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.230 -11.129 -8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.925 -10.219 -9.588 1.00 0.00 H new ATOM 630 N ASN A 42 -2.737 -9.524 -6.275 1.00 0.00 N ATOM 631 CA ASN A 42 -4.006 -9.490 -5.545 1.00 0.00 C ATOM 632 C ASN A 42 -5.104 -8.945 -6.434 1.00 0.00 C ATOM 633 O ASN A 42 -4.931 -7.919 -7.089 1.00 0.00 O ATOM 634 CB ASN A 42 -3.875 -8.643 -4.281 1.00 0.00 C ATOM 635 CG ASN A 42 -4.946 -9.014 -3.255 1.00 0.00 C ATOM 636 OD1 ASN A 42 -6.026 -8.446 -3.193 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.676 -9.982 -2.401 1.00 0.00 N ATOM 0 H ASN A 42 -2.598 -8.734 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.265 -10.507 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.886 -8.785 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.962 -7.587 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.365 -10.249 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.778 -10.463 -2.443 1.00 0.00 H new ATOM 644 N THR A 43 -6.239 -9.633 -6.460 1.00 0.00 N ATOM 645 CA THR A 43 -7.114 -9.621 -7.620 1.00 0.00 C ATOM 646 C THR A 43 -8.458 -8.968 -7.267 1.00 0.00 C ATOM 647 O THR A 43 -9.536 -9.551 -7.421 1.00 0.00 O ATOM 648 CB THR A 43 -7.182 -11.064 -8.155 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.439 -11.984 -7.106 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.848 -11.510 -8.771 1.00 0.00 C ATOM 0 H THR A 43 -6.574 -10.208 -5.687 1.00 0.00 H new ATOM 0 HA THR A 43 -6.735 -9.001 -8.433 1.00 0.00 H new ATOM 0 HB THR A 43 -7.977 -11.062 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.479 -12.893 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.940 -12.533 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.592 -10.851 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.064 -11.463 -8.015 1.00 0.00 H new ATOM 658 N ILE A 44 -8.391 -7.725 -6.794 1.00 0.00 N ATOM 659 CA ILE A 44 -9.483 -6.894 -6.262 1.00 0.00 C ATOM 660 C ILE A 44 -10.347 -6.272 -7.383 1.00 0.00 C ATOM 661 O ILE A 44 -10.796 -5.123 -7.317 1.00 0.00 O ATOM 662 CB ILE A 44 -8.875 -5.829 -5.309 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.496 -5.314 -5.799 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.878 -6.363 -3.862 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.289 -5.943 -5.108 1.00 0.00 C ATOM 0 H ILE A 44 -7.501 -7.227 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.171 -7.521 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.505 -4.939 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.417 -5.496 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.456 -4.234 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.451 -5.613 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.902 -6.579 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.284 -7.275 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.373 -5.519 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.335 -5.740 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.296 -7.020 -5.273 1.00 0.00 H new ATOM 677 N ALA A 45 -10.636 -7.047 -8.426 1.00 0.00 N ATOM 678 CA ALA A 45 -11.439 -6.641 -9.571 1.00 0.00 C ATOM 679 C ALA A 45 -12.958 -6.739 -9.286 1.00 0.00 C ATOM 680 O ALA A 45 -13.721 -7.109 -10.181 1.00 0.00 O ATOM 681 CB ALA A 45 -11.004 -7.547 -10.735 1.00 0.00 C ATOM 0 H ALA A 45 -10.304 -8.009 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.274 -5.591 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.573 -7.290 -11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.941 -7.405 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.189 -8.589 -10.474 1.00 0.00 H new ATOM 687 N ASP A 46 -13.425 -6.396 -8.078 1.00 0.00 N ATOM 688 CA ASP A 46 -14.833 -6.381 -7.641 1.00 0.00 C ATOM 689 C ASP A 46 -14.938 -5.522 -6.362 1.00 0.00 C ATOM 690 O ASP A 46 -13.920 -5.283 -5.711 1.00 0.00 O ATOM 691 CB ASP A 46 -15.325 -7.826 -7.402 1.00 0.00 C ATOM 692 CG ASP A 46 -16.504 -7.917 -6.432 1.00 0.00 C ATOM 693 OD1 ASP A 46 -17.598 -7.376 -6.727 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.303 -8.447 -5.322 1.00 0.00 O ATOM 0 H ASP A 46 -12.794 -6.103 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.470 -5.945 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.615 -8.265 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.499 -8.423 -7.015 1.00 0.00 H new ATOM 699 N ALA A 47 -16.129 -5.031 -6.003 1.00 0.00 N ATOM 700 CA ALA A 47 -16.423 -4.153 -4.869 1.00 0.00 C ATOM 701 C ALA A 47 -16.525 -4.896 -3.517 1.00 0.00 C ATOM 702 O ALA A 47 -15.799 -5.864 -3.281 1.00 0.00 O ATOM 703 CB ALA A 47 -17.666 -3.323 -5.209 1.00 0.00 C ATOM 0 H ALA A 47 -16.970 -5.253 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.579 -3.480 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.901 -2.662 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.473 -2.727 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.509 -3.989 -5.393 1.00 0.00 H new ATOM 709 N HIS A 48 -17.308 -4.355 -2.573 1.00 0.00 N ATOM 710 CA HIS A 48 -17.257 -4.674 -1.145 1.00 0.00 C ATOM 711 C HIS A 48 -17.939 -6.002 -0.805 1.00 0.00 C ATOM 712 O HIS A 48 -19.099 -6.217 -1.166 1.00 0.00 O ATOM 713 CB HIS A 48 -17.904 -3.530 -0.349 1.00 0.00 C ATOM 714 CG HIS A 48 -17.652 -3.643 1.132 1.00 0.00 C ATOM 715 ND1 HIS A 48 -16.410 -3.648 1.721 1.00 0.00 N ATOM 716 CD2 HIS A 48 -18.589 -3.804 2.118 1.00 0.00 C ATOM 717 CE1 HIS A 48 -16.587 -3.829 3.039 1.00 0.00 C ATOM 718 NE2 HIS A 48 -17.897 -3.934 3.330 1.00 0.00 N ATOM 0 H HIS A 48 -18.019 -3.658 -2.794 1.00 0.00 H new ATOM 0 HA HIS A 48 -16.208 -4.785 -0.871 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -17.516 -2.577 -0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -18.978 -3.527 -0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -19.661 -3.827 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.789 -3.883 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -18.306 -4.080 4.253 1.00 0.00 H new ATOM 726 N GLY A 49 -17.264 -6.852 -0.031 1.00 0.00 N ATOM 727 CA GLY A 49 -17.770 -8.112 0.491 1.00 0.00 C ATOM 728 C GLY A 49 -16.640 -8.871 1.177 1.00 0.00 C ATOM 729 O GLY A 49 -15.527 -8.352 1.277 1.00 0.00 O ATOM 0 H GLY A 49 -16.304 -6.668 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.579 -7.926 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.186 -8.712 -0.318 1.00 0.00 H new ATOM 733 N THR A 50 -16.932 -10.091 1.632 1.00 0.00 N ATOM 734 CA THR A 50 -16.011 -11.005 2.299 1.00 0.00 C ATOM 735 C THR A 50 -15.243 -10.285 3.427 1.00 0.00 C ATOM 736 O THR A 50 -15.783 -9.376 4.068 1.00 0.00 O ATOM 737 CB THR A 50 -15.230 -11.815 1.229 1.00 0.00 C ATOM 738 OG1 THR A 50 -14.774 -13.046 1.754 1.00 0.00 O ATOM 739 CG2 THR A 50 -14.026 -11.153 0.549 1.00 0.00 C ATOM 0 H THR A 50 -17.868 -10.486 1.539 1.00 0.00 H new ATOM 0 HA THR A 50 -16.516 -11.786 2.867 1.00 0.00 H new ATOM 0 HB THR A 50 -15.990 -11.919 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.287 -13.537 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.589 -11.845 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 50 -14.351 -10.250 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.281 -10.893 1.301 1.00 0.00 H new ATOM 747 N GLY A 51 -14.040 -10.732 3.779 1.00 0.00 N ATOM 748 CA GLY A 51 -13.100 -9.983 4.602 1.00 0.00 C ATOM 749 C GLY A 51 -12.262 -9.051 3.715 1.00 0.00 C ATOM 750 O GLY A 51 -12.617 -8.817 2.558 1.00 0.00 O ATOM 0 H GLY A 51 -13.686 -11.645 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.640 -9.401 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.448 -10.669 5.142 1.00 0.00 H new ATOM 754 N PRO A 52 -11.130 -8.523 4.208 1.00 0.00 N ATOM 755 CA PRO A 52 -10.291 -7.625 3.429 1.00 0.00 C ATOM 756 C PRO A 52 -9.655 -8.305 2.215 1.00 0.00 C ATOM 757 O PRO A 52 -9.349 -7.603 1.259 1.00 0.00 O ATOM 758 CB PRO A 52 -9.233 -7.133 4.390 1.00 0.00 C ATOM 759 CG PRO A 52 -9.105 -8.261 5.410 1.00 0.00 C ATOM 760 CD PRO A 52 -10.548 -8.757 5.522 1.00 0.00 C ATOM 0 HA PRO A 52 -10.886 -6.812 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.287 -6.946 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.529 -6.198 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.430 -9.045 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.721 -7.905 6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.583 -9.814 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.092 -8.217 6.297 1.00 0.00 H new ATOM 768 N LYS A 53 -9.416 -9.622 2.229 1.00 0.00 N ATOM 769 CA LYS A 53 -8.551 -10.390 1.324 1.00 0.00 C ATOM 770 C LYS A 53 -7.114 -9.868 1.230 1.00 0.00 C ATOM 771 O LYS A 53 -6.204 -10.570 1.671 1.00 0.00 O ATOM 772 CB LYS A 53 -9.237 -10.730 -0.016 1.00 0.00 C ATOM 773 CG LYS A 53 -8.871 -9.868 -1.232 1.00 0.00 C ATOM 774 CD LYS A 53 -9.814 -10.100 -2.416 1.00 0.00 C ATOM 775 CE LYS A 53 -11.061 -9.220 -2.268 1.00 0.00 C ATOM 776 NZ LYS A 53 -12.106 -9.585 -3.241 1.00 0.00 N ATOM 0 H LYS A 53 -9.855 -10.224 2.925 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.407 -11.361 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.010 -11.768 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.315 -10.666 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.899 -8.816 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.848 -10.090 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.303 -9.868 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.102 -11.150 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.456 -9.316 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.786 -8.174 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.933 -8.968 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.737 -9.469 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.386 -10.576 -3.094 1.00 0.00 H new ATOM 790 N VAL A 54 -6.914 -8.660 0.701 1.00 0.00 N ATOM 791 CA VAL A 54 -5.645 -7.973 0.538 1.00 0.00 C ATOM 792 C VAL A 54 -4.982 -7.870 1.911 1.00 0.00 C ATOM 793 O VAL A 54 -3.952 -8.494 2.159 1.00 0.00 O ATOM 794 CB VAL A 54 -5.834 -6.612 -0.201 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.205 -5.926 -0.077 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.763 -5.575 0.147 1.00 0.00 C ATOM 0 H VAL A 54 -7.694 -8.102 0.353 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.970 -8.534 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.741 -6.944 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.196 -4.992 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.978 -6.582 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.414 -5.717 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.956 -4.654 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.788 -5.371 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.781 -5.961 -0.126 1.00 0.00 H new ATOM 806 N VAL A 55 -5.606 -7.111 2.815 1.00 0.00 N ATOM 807 CA VAL A 55 -5.073 -6.770 4.131 1.00 0.00 C ATOM 808 C VAL A 55 -4.743 -8.042 4.877 1.00 0.00 C ATOM 809 O VAL A 55 -3.616 -8.140 5.325 1.00 0.00 O ATOM 810 CB VAL A 55 -6.051 -5.832 4.865 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.512 -5.212 6.141 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.537 -4.692 3.949 1.00 0.00 C ATOM 0 H VAL A 55 -6.526 -6.705 2.643 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.140 -6.213 4.049 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.873 -6.490 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.273 -4.569 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.249 -6.001 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.626 -4.620 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.225 -4.051 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.682 -4.104 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.048 -5.114 3.084 1.00 0.00 H new ATOM 822 N GLN A 56 -5.647 -9.027 4.918 1.00 0.00 N ATOM 823 CA GLN A 56 -5.416 -10.296 5.593 1.00 0.00 C ATOM 824 C GLN A 56 -4.042 -10.886 5.238 1.00 0.00 C ATOM 825 O GLN A 56 -3.310 -11.294 6.141 1.00 0.00 O ATOM 826 CB GLN A 56 -6.534 -11.297 5.258 1.00 0.00 C ATOM 827 CG GLN A 56 -7.678 -11.287 6.284 1.00 0.00 C ATOM 828 CD GLN A 56 -7.803 -12.613 7.024 1.00 0.00 C ATOM 829 OE1 GLN A 56 -8.739 -13.368 6.778 1.00 0.00 O ATOM 830 NE2 GLN A 56 -6.888 -12.921 7.931 1.00 0.00 N ATOM 0 H GLN A 56 -6.565 -8.959 4.478 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.426 -10.104 6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.936 -11.067 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.111 -12.300 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.510 -10.486 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.617 -11.067 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.119 -12.278 8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.952 -13.801 8.442 1.00 0.00 H new ATOM 839 N SER A 57 -3.700 -10.905 3.944 1.00 0.00 N ATOM 840 CA SER A 57 -2.429 -11.419 3.462 1.00 0.00 C ATOM 841 C SER A 57 -1.281 -10.510 3.871 1.00 0.00 C ATOM 842 O SER A 57 -0.335 -10.973 4.503 1.00 0.00 O ATOM 843 CB SER A 57 -2.481 -11.583 1.934 1.00 0.00 C ATOM 844 OG SER A 57 -1.286 -12.142 1.427 1.00 0.00 O ATOM 0 H SER A 57 -4.309 -10.559 3.202 1.00 0.00 H new ATOM 0 HA SER A 57 -2.252 -12.394 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.324 -12.220 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.654 -10.612 1.470 1.00 0.00 H new ATOM 0 HG SER A 57 -1.355 -12.234 0.454 1.00 0.00 H new ATOM 850 N LEU A 58 -1.331 -9.226 3.516 1.00 0.00 N ATOM 851 CA LEU A 58 -0.215 -8.309 3.739 1.00 0.00 C ATOM 852 C LEU A 58 0.136 -8.280 5.232 1.00 0.00 C ATOM 853 O LEU A 58 1.295 -8.437 5.608 1.00 0.00 O ATOM 854 CB LEU A 58 -0.572 -6.911 3.205 1.00 0.00 C ATOM 855 CG LEU A 58 -0.928 -6.841 1.704 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.335 -5.416 1.317 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.207 -7.303 0.794 1.00 0.00 C ATOM 0 H LEU A 58 -2.140 -8.795 3.069 1.00 0.00 H new ATOM 0 HA LEU A 58 0.665 -8.653 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.416 -6.527 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.270 -6.244 3.392 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.763 -7.527 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.583 -5.384 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.204 -5.114 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.508 -4.734 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.108 -7.229 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.081 -6.672 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.459 -8.338 1.024 1.00 0.00 H new ATOM 869 N VAL A 59 -0.878 -8.170 6.088 1.00 0.00 N ATOM 870 CA VAL A 59 -0.795 -8.248 7.539 1.00 0.00 C ATOM 871 C VAL A 59 -0.162 -9.569 7.997 1.00 0.00 C ATOM 872 O VAL A 59 0.588 -9.562 8.973 1.00 0.00 O ATOM 873 CB VAL A 59 -2.225 -8.030 8.078 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.456 -8.487 9.524 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.584 -6.538 7.979 1.00 0.00 C ATOM 0 H VAL A 59 -1.833 -8.015 5.765 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.136 -7.479 7.942 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.864 -8.656 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.490 -8.291 9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.254 -9.555 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.788 -7.940 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.593 -6.381 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.879 -5.954 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.535 -6.220 6.938 1.00 0.00 H new ATOM 885 N SER A 60 -0.413 -10.691 7.317 1.00 0.00 N ATOM 886 CA SER A 60 0.238 -11.961 7.614 1.00 0.00 C ATOM 887 C SER A 60 1.759 -11.845 7.427 1.00 0.00 C ATOM 888 O SER A 60 2.502 -12.375 8.248 1.00 0.00 O ATOM 889 CB SER A 60 -0.356 -13.070 6.729 1.00 0.00 C ATOM 890 OG SER A 60 -0.105 -14.353 7.260 1.00 0.00 O ATOM 0 H SER A 60 -1.076 -10.740 6.543 1.00 0.00 H new ATOM 0 HA SER A 60 0.056 -12.222 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.431 -12.921 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.068 -13.002 5.727 1.00 0.00 H new ATOM 0 HG SER A 60 -0.498 -15.032 6.673 1.00 0.00 H new ATOM 896 N LYS A 61 2.250 -11.126 6.407 1.00 0.00 N ATOM 897 CA LYS A 61 3.690 -10.948 6.201 1.00 0.00 C ATOM 898 C LYS A 61 4.185 -9.731 6.985 1.00 0.00 C ATOM 899 O LYS A 61 5.074 -9.026 6.510 1.00 0.00 O ATOM 900 CB LYS A 61 4.030 -10.810 4.701 1.00 0.00 C ATOM 901 CG LYS A 61 3.658 -12.030 3.842 1.00 0.00 C ATOM 902 CD LYS A 61 2.306 -11.883 3.122 1.00 0.00 C ATOM 903 CE LYS A 61 2.455 -11.953 1.598 1.00 0.00 C ATOM 904 NZ LYS A 61 2.853 -13.296 1.134 1.00 0.00 N ATOM 0 H LYS A 61 1.668 -10.659 5.712 1.00 0.00 H new ATOM 0 HA LYS A 61 4.201 -11.837 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.516 -9.934 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.099 -10.625 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.440 -12.195 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.629 -12.916 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.630 -12.670 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.850 -10.932 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.511 -11.675 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.198 -11.224 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.892 -13.307 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.790 -13.532 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.158 -13.997 1.462 1.00 0.00 H new ATOM 918 N GLY A 62 3.665 -9.520 8.191 1.00 0.00 N ATOM 919 CA GLY A 62 4.095 -8.511 9.141 1.00 0.00 C ATOM 920 C GLY A 62 4.104 -7.077 8.620 1.00 0.00 C ATOM 921 O GLY A 62 4.893 -6.265 9.095 1.00 0.00 O ATOM 0 H GLY A 62 2.891 -10.081 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.443 -8.558 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.100 -8.762 9.480 1.00 0.00 H new ATOM 925 N VAL A 63 3.279 -6.742 7.629 1.00 0.00 N ATOM 926 CA VAL A 63 3.216 -5.393 7.085 1.00 0.00 C ATOM 927 C VAL A 63 2.543 -4.470 8.103 1.00 0.00 C ATOM 928 O VAL A 63 1.313 -4.446 8.177 1.00 0.00 O ATOM 929 CB VAL A 63 2.487 -5.433 5.732 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.253 -4.044 5.144 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.313 -6.205 4.696 1.00 0.00 C ATOM 0 H VAL A 63 2.638 -7.399 7.184 1.00 0.00 H new ATOM 0 HA VAL A 63 4.213 -4.993 6.903 1.00 0.00 H new ATOM 0 HB VAL A 63 1.530 -5.915 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.735 -4.136 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.646 -3.455 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.211 -3.548 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.780 -6.222 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.278 -5.716 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.469 -7.226 5.043 1.00 0.00 H new ATOM 941 N GLU A 64 3.313 -3.671 8.851 1.00 0.00 N ATOM 942 CA GLU A 64 2.736 -2.661 9.744 1.00 0.00 C ATOM 943 C GLU A 64 2.914 -1.261 9.138 1.00 0.00 C ATOM 944 O GLU A 64 2.941 -0.259 9.858 1.00 0.00 O ATOM 945 CB GLU A 64 3.486 -2.686 11.098 1.00 0.00 C ATOM 946 CG GLU A 64 3.894 -4.078 11.587 1.00 0.00 C ATOM 947 CD GLU A 64 4.455 -4.080 13.012 1.00 0.00 C ATOM 948 OE1 GLU A 64 5.315 -3.239 13.357 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.115 -5.005 13.790 1.00 0.00 O ATOM 0 H GLU A 64 4.332 -3.704 8.856 1.00 0.00 H new ATOM 0 HA GLU A 64 1.677 -2.881 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.382 -2.071 11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.853 -2.223 11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.028 -4.739 11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.642 -4.489 10.909 1.00 0.00 H new ATOM 956 N TYR A 65 2.841 -1.128 7.813 1.00 0.00 N ATOM 957 CA TYR A 65 3.220 0.094 7.113 1.00 0.00 C ATOM 958 C TYR A 65 2.734 0.003 5.662 1.00 0.00 C ATOM 959 O TYR A 65 2.519 -1.087 5.127 1.00 0.00 O ATOM 960 CB TYR A 65 4.751 0.281 7.202 1.00 0.00 C ATOM 961 CG TYR A 65 5.245 1.541 7.889 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.450 1.550 9.280 1.00 0.00 C ATOM 963 CD2 TYR A 65 5.553 2.691 7.144 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.953 2.688 9.932 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.040 3.841 7.788 1.00 0.00 C ATOM 966 CZ TYR A 65 6.245 3.849 9.185 1.00 0.00 C ATOM 967 OH TYR A 65 6.726 4.976 9.782 1.00 0.00 O ATOM 0 H TYR A 65 2.515 -1.871 7.194 1.00 0.00 H new ATOM 0 HA TYR A 65 2.755 0.966 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.169 -0.578 7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.155 0.264 6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.217 0.667 9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.415 2.691 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.115 2.674 11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.259 4.726 7.210 1.00 0.00 H new ATOM 0 HH TYR A 65 6.867 5.670 9.105 1.00 0.00 H new ATOM 977 N LEU A 66 2.558 1.132 4.978 1.00 0.00 N ATOM 978 CA LEU A 66 1.997 1.178 3.636 1.00 0.00 C ATOM 979 C LEU A 66 2.256 2.556 3.047 1.00 0.00 C ATOM 980 O LEU A 66 2.157 3.560 3.747 1.00 0.00 O ATOM 981 CB LEU A 66 0.488 0.873 3.717 1.00 0.00 C ATOM 982 CG LEU A 66 -0.352 1.234 2.488 1.00 0.00 C ATOM 983 CD1 LEU A 66 0.009 0.481 1.207 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.825 0.917 2.763 1.00 0.00 C ATOM 0 H LEU A 66 2.805 2.050 5.348 1.00 0.00 H new ATOM 0 HA LEU A 66 2.462 0.434 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.366 -0.192 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.079 1.403 4.577 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.151 2.293 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.643 0.808 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.047 0.687 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.119 -0.590 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.422 1.174 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.935 -0.146 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.168 1.497 3.620 1.00 0.00 H new ATOM 996 N ILE A 67 2.490 2.604 1.742 1.00 0.00 N ATOM 997 CA ILE A 67 2.582 3.804 0.925 1.00 0.00 C ATOM 998 C ILE A 67 1.367 3.795 0.022 1.00 0.00 C ATOM 999 O ILE A 67 1.310 2.937 -0.847 1.00 0.00 O ATOM 1000 CB ILE A 67 3.922 3.721 0.152 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.026 4.094 1.170 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.036 4.591 -1.106 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.334 3.349 0.939 1.00 0.00 C ATOM 0 H ILE A 67 2.629 1.755 1.194 1.00 0.00 H new ATOM 0 HA ILE A 67 2.583 4.737 1.488 1.00 0.00 H new ATOM 0 HB ILE A 67 4.013 2.709 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.212 5.167 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.668 3.882 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.017 4.448 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.262 4.305 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.911 5.640 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.065 3.657 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.161 2.276 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.714 3.580 -0.056 1.00 0.00 H new ATOM 1015 N ALA A 68 0.352 4.635 0.228 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.833 4.606 -0.602 1.00 0.00 C ATOM 1017 C ALA A 68 -1.578 5.932 -0.520 1.00 0.00 C ATOM 1018 O ALA A 68 -2.292 6.181 0.453 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.780 3.505 -0.153 1.00 0.00 C ATOM 0 H ALA A 68 0.335 5.340 0.965 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.508 4.422 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.664 3.502 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.277 2.541 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.079 3.681 0.880 1.00 0.00 H new ATOM 1025 N SER A 69 -1.483 6.722 -1.583 1.00 0.00 N ATOM 1026 CA SER A 69 -2.189 7.993 -1.783 1.00 0.00 C ATOM 1027 C SER A 69 -3.588 8.005 -1.176 1.00 0.00 C ATOM 1028 O SER A 69 -3.962 8.933 -0.462 1.00 0.00 O ATOM 1029 CB SER A 69 -2.251 8.331 -3.279 1.00 0.00 C ATOM 1030 OG SER A 69 -2.838 7.274 -4.010 1.00 0.00 O ATOM 0 H SER A 69 -0.882 6.486 -2.372 1.00 0.00 H new ATOM 0 HA SER A 69 -1.618 8.757 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.827 9.244 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.246 8.524 -3.654 1.00 0.00 H new ATOM 0 HG SER A 69 -3.429 7.642 -4.699 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.376 6.971 -1.453 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.753 6.843 -1.046 1.00 0.00 C ATOM 1038 C ASN A 70 -5.980 5.333 -0.983 1.00 0.00 C ATOM 1039 O ASN A 70 -5.126 4.519 -1.368 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.776 7.385 -2.088 1.00 0.00 C ATOM 1041 CG ASN A 70 -6.509 8.671 -2.876 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -6.984 8.777 -4.005 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -5.847 9.673 -2.330 1.00 0.00 N ATOM 0 H ASN A 70 -4.049 6.169 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.905 7.402 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.934 6.592 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.720 7.526 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.726 10.545 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.457 9.576 -1.393 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.203 4.938 -0.657 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.634 3.561 -0.695 1.00 0.00 C ATOM 1052 C VAL A 71 -8.711 3.415 -1.768 1.00 0.00 C ATOM 1053 O VAL A 71 -9.263 4.406 -2.245 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.973 3.148 0.741 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.289 3.708 1.262 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.992 1.638 0.865 1.00 0.00 C ATOM 0 H VAL A 71 -7.932 5.584 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.873 2.847 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.185 3.580 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.450 3.366 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.253 4.797 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.107 3.362 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.234 1.360 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.743 1.227 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.012 1.239 0.603 1.00 0.00 H new ATOM 1066 N GLY A 72 -8.931 2.184 -2.227 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.712 1.935 -3.428 1.00 0.00 C ATOM 1068 C GLY A 72 -11.209 1.804 -3.161 1.00 0.00 C ATOM 1069 O GLY A 72 -11.986 1.994 -4.092 1.00 0.00 O ATOM 0 H GLY A 72 -8.574 1.340 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.546 2.748 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.354 1.021 -3.903 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.578 1.447 -1.928 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.910 1.206 -1.369 1.00 0.00 C ATOM 1075 C ARG A 73 -12.651 1.102 0.134 1.00 0.00 C ATOM 1076 O ARG A 73 -12.008 2.003 0.673 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.643 -0.015 -1.969 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.273 0.268 -3.340 1.00 0.00 C ATOM 1079 CD ARG A 73 -15.595 -0.478 -3.547 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.273 0.002 -4.760 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.087 1.063 -4.851 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -17.424 1.767 -3.775 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.546 1.398 -6.051 1.00 0.00 N ATOM 0 H ARG A 73 -10.864 1.303 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.608 2.006 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.939 -0.842 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.422 -0.338 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.445 1.339 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.572 -0.019 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.406 -1.548 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.241 -0.333 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.107 -0.525 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.062 1.503 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.045 2.571 -3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.277 0.853 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.167 2.200 -6.154 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.186 0.096 0.834 1.00 0.00 N ATOM 1098 CA ASN A 74 -12.787 -0.214 2.210 1.00 0.00 C ATOM 1099 C ASN A 74 -11.286 -0.582 2.279 1.00 0.00 C ATOM 1100 O ASN A 74 -10.547 -0.358 1.322 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.703 -1.308 2.803 1.00 0.00 C ATOM 1102 CG ASN A 74 -13.172 -2.743 2.716 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -12.687 -3.183 1.676 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -13.238 -3.477 3.812 1.00 0.00 N ATOM 0 H ASN A 74 -13.906 -0.524 0.463 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.914 0.675 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.887 -1.072 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.665 -1.265 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.882 -4.433 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.645 -3.088 4.662 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.860 -1.193 3.392 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.545 -1.623 3.861 1.00 0.00 C ATOM 1113 C ALA A 75 -8.904 -0.618 4.816 1.00 0.00 C ATOM 1114 O ALA A 75 -8.095 -1.033 5.637 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.554 -1.813 2.711 1.00 0.00 C ATOM 0 H ALA A 75 -11.555 -1.434 4.098 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.736 -2.567 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.591 -2.133 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.933 -2.571 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.431 -0.871 2.177 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.226 0.676 4.754 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.570 1.687 5.591 1.00 0.00 C ATOM 1123 C PHE A 76 -8.774 1.426 7.076 1.00 0.00 C ATOM 1124 O PHE A 76 -7.843 1.627 7.847 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.063 3.070 5.186 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.722 4.254 6.089 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.452 4.869 6.012 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.702 4.807 6.939 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.177 6.039 6.748 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.431 5.981 7.669 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.172 6.599 7.571 1.00 0.00 C ATOM 0 H PHE A 76 -9.940 1.051 4.130 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.494 1.631 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.669 3.285 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.148 3.023 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.686 4.439 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.666 4.328 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.205 6.505 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.192 6.407 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.969 7.502 8.127 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.946 0.937 7.471 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.244 0.552 8.840 1.00 0.00 C ATOM 1143 C GLU A 77 -9.433 -0.688 9.206 1.00 0.00 C ATOM 1144 O GLU A 77 -8.951 -0.807 10.329 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.736 0.229 8.965 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.661 1.379 8.539 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.884 0.870 7.777 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.626 -0.021 8.263 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.061 1.288 6.611 1.00 0.00 O ATOM 0 H GLU A 77 -10.729 0.796 6.832 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.987 1.372 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.960 -0.648 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.955 -0.036 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.986 1.930 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.107 2.078 7.912 1.00 0.00 H new ATOM 1156 N THR A 78 -9.278 -1.617 8.262 1.00 0.00 N ATOM 1157 CA THR A 78 -8.622 -2.895 8.482 1.00 0.00 C ATOM 1158 C THR A 78 -7.110 -2.696 8.586 1.00 0.00 C ATOM 1159 O THR A 78 -6.430 -3.493 9.230 1.00 0.00 O ATOM 1160 CB THR A 78 -9.012 -3.868 7.349 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.340 -3.633 6.904 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.915 -5.324 7.807 1.00 0.00 C ATOM 0 H THR A 78 -9.613 -1.494 7.307 1.00 0.00 H new ATOM 0 HA THR A 78 -8.951 -3.332 9.425 1.00 0.00 H new ATOM 0 HB THR A 78 -8.311 -3.691 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.560 -4.262 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.196 -5.983 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.892 -5.542 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.588 -5.486 8.649 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.604 -1.609 7.989 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.210 -1.215 8.044 1.00 0.00 C ATOM 1172 C LEU A 79 -4.890 -0.856 9.486 1.00 0.00 C ATOM 1173 O LEU A 79 -4.228 -1.602 10.191 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.937 -0.039 7.075 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.896 -0.472 5.593 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.133 0.685 4.601 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.569 -1.173 5.315 1.00 0.00 C ATOM 0 H LEU A 79 -7.178 -0.968 7.441 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.562 -2.031 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.710 0.718 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.987 0.427 7.337 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.726 -1.160 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.090 0.304 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.114 1.125 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.363 1.445 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.533 -1.482 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.746 -0.488 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.480 -2.050 5.956 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.401 0.275 9.950 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.174 0.779 11.291 1.00 0.00 C ATOM 1191 C LYS A 80 -5.584 -0.184 12.393 1.00 0.00 C ATOM 1192 O LYS A 80 -4.937 -0.172 13.437 1.00 0.00 O ATOM 1193 CB LYS A 80 -5.904 2.103 11.428 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.387 2.086 11.008 1.00 0.00 C ATOM 1195 CD LYS A 80 -7.929 3.431 10.509 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.066 4.095 9.429 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.077 5.057 9.977 1.00 0.00 N ATOM 0 H LYS A 80 -5.999 0.881 9.388 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.099 0.908 11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.842 2.427 12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.383 2.850 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.519 1.343 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.987 1.761 11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.934 3.281 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.018 4.111 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.539 3.322 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.715 4.614 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.407 6.029 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.971 4.901 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.159 4.916 9.509 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.622 -0.987 12.179 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.956 -2.085 13.070 1.00 0.00 C ATOM 1213 C ALA A 81 -5.726 -2.972 13.279 1.00 0.00 C ATOM 1214 O ALA A 81 -5.288 -3.105 14.418 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.154 -2.868 12.535 1.00 0.00 C ATOM 0 H ALA A 81 -7.253 -0.892 11.383 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.249 -1.690 14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.388 -3.686 13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.015 -2.205 12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.914 -3.273 11.552 1.00 0.00 H new ATOM 1221 N ALA A 82 -5.115 -3.503 12.209 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.902 -4.316 12.325 1.00 0.00 C ATOM 1223 C ALA A 82 -2.634 -3.449 12.458 1.00 0.00 C ATOM 1224 O ALA A 82 -1.546 -3.844 12.027 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.818 -5.167 11.048 1.00 0.00 C ATOM 0 H ALA A 82 -5.445 -3.381 11.252 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.955 -4.931 13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.927 -5.793 11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.703 -5.799 10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.765 -4.513 10.178 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.735 -2.323 13.166 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.707 -1.305 13.313 1.00 0.00 C ATOM 1233 C GLY A 83 -0.907 -0.971 12.062 1.00 0.00 C ATOM 1234 O GLY A 83 0.272 -0.631 12.151 1.00 0.00 O ATOM 0 H GLY A 83 -3.585 -2.089 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.179 -0.391 13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.012 -1.630 14.087 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.525 -1.025 10.890 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.837 -0.748 9.648 1.00 0.00 C ATOM 1240 C VAL A 84 -0.774 0.761 9.488 1.00 0.00 C ATOM 1241 O VAL A 84 -1.801 1.455 9.436 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.471 -1.500 8.468 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.580 -1.470 7.222 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.705 -2.968 8.844 1.00 0.00 C ATOM 0 H VAL A 84 -2.511 -1.261 10.779 1.00 0.00 H new ATOM 0 HA VAL A 84 0.185 -1.125 9.666 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.413 -0.999 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.068 -2.014 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.415 -0.437 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.378 -1.939 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.155 -3.492 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.753 -3.435 9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.374 -3.021 9.703 1.00 0.00 H new ATOM 1254 N LYS A 85 0.453 1.274 9.427 1.00 0.00 N ATOM 1255 CA LYS A 85 0.677 2.683 9.176 1.00 0.00 C ATOM 1256 C LYS A 85 0.495 2.890 7.669 1.00 0.00 C ATOM 1257 O LYS A 85 0.656 1.948 6.903 1.00 0.00 O ATOM 1258 CB LYS A 85 2.072 3.052 9.710 1.00 0.00 C ATOM 1259 CG LYS A 85 2.123 4.517 10.150 1.00 0.00 C ATOM 1260 CD LYS A 85 3.281 4.812 11.112 1.00 0.00 C ATOM 1261 CE LYS A 85 2.823 5.076 12.558 1.00 0.00 C ATOM 1262 NZ LYS A 85 2.732 3.881 13.426 1.00 0.00 N ATOM 0 H LYS A 85 1.305 0.727 9.549 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.023 3.344 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.325 2.407 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.820 2.875 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.218 5.152 9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.181 4.779 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.972 3.969 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.833 5.679 10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.514 5.784 13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.846 5.558 12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.416 4.165 14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.050 3.209 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.666 3.428 13.493 1.00 0.00 H new ATOM 1276 N VAL A 86 0.108 4.076 7.216 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.323 4.322 5.831 1.00 0.00 C ATOM 1278 C VAL A 86 0.037 5.767 5.511 1.00 0.00 C ATOM 1279 O VAL A 86 -0.534 6.688 6.107 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.836 4.065 5.606 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.184 4.178 4.112 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.336 2.737 6.192 1.00 0.00 C ATOM 0 H VAL A 86 0.082 4.910 7.802 1.00 0.00 H new ATOM 0 HA VAL A 86 0.183 3.623 5.165 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.363 4.843 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.249 3.995 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.938 5.178 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.612 3.441 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.403 2.630 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.797 1.910 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.164 2.727 7.268 1.00 0.00 H new ATOM 1292 N TYR A 87 0.989 5.956 4.609 1.00 0.00 N ATOM 1293 CA TYR A 87 1.292 7.219 3.965 1.00 0.00 C ATOM 1294 C TYR A 87 0.445 7.421 2.719 1.00 0.00 C ATOM 1295 O TYR A 87 -0.230 6.499 2.274 1.00 0.00 O ATOM 1296 CB TYR A 87 2.770 7.232 3.555 1.00 0.00 C ATOM 1297 CG TYR A 87 3.730 7.632 4.654 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.003 6.797 5.756 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.349 8.885 4.562 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.854 7.260 6.781 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.208 9.344 5.561 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.454 8.540 6.684 1.00 0.00 C ATOM 1303 OH TYR A 87 6.269 9.017 7.654 1.00 0.00 O ATOM 0 H TYR A 87 1.596 5.199 4.295 1.00 0.00 H new ATOM 0 HA TYR A 87 1.075 8.021 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.042 6.239 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.894 7.917 2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.565 5.812 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.158 9.508 3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.049 6.638 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.680 10.311 5.470 1.00 0.00 H new ATOM 0 HH TYR A 87 6.584 9.911 7.406 1.00 0.00 H new ATOM 1313 N ARG A 88 0.551 8.619 2.144 1.00 0.00 N ATOM 1314 CA ARG A 88 0.132 9.021 0.820 1.00 0.00 C ATOM 1315 C ARG A 88 1.367 9.320 -0.014 1.00 0.00 C ATOM 1316 O ARG A 88 2.413 9.707 0.511 1.00 0.00 O ATOM 1317 CB ARG A 88 -0.842 10.199 0.952 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.954 11.203 -0.223 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.335 11.865 -0.217 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.540 12.854 -1.287 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.676 13.534 -1.500 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.692 13.485 -0.645 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.808 14.279 -2.580 1.00 0.00 N ATOM 0 H ARG A 88 0.973 9.398 2.649 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.407 8.230 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.835 9.789 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.563 10.762 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.177 11.963 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.793 10.687 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.096 11.090 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.486 12.353 0.746 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.758 13.036 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.620 12.919 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.544 14.013 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.045 14.339 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.673 14.796 -2.741 1.00 0.00 H new ATOM 1337 N PHE A 89 1.240 9.062 -1.305 1.00 0.00 N ATOM 1338 CA PHE A 89 2.210 9.286 -2.362 1.00 0.00 C ATOM 1339 C PHE A 89 1.460 10.097 -3.427 1.00 0.00 C ATOM 1340 O PHE A 89 0.232 10.166 -3.361 1.00 0.00 O ATOM 1341 CB PHE A 89 2.766 7.905 -2.814 1.00 0.00 C ATOM 1342 CG PHE A 89 2.574 7.535 -4.285 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.260 7.415 -4.784 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.648 7.276 -5.165 1.00 0.00 C ATOM 1345 CE1 PHE A 89 1.001 7.179 -6.145 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.384 7.010 -6.510 1.00 0.00 C ATOM 1347 CZ PHE A 89 2.075 6.982 -7.021 1.00 0.00 C ATOM 0 H PHE A 89 0.380 8.655 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 89 3.095 9.855 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.833 7.879 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.296 7.133 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.429 7.507 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.665 7.284 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.015 7.150 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.211 6.820 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.900 6.811 -8.073 1.00 0.00 H new ATOM 1357 N GLU A 90 2.133 10.700 -4.404 1.00 0.00 N ATOM 1358 CA GLU A 90 1.451 11.519 -5.403 1.00 0.00 C ATOM 1359 C GLU A 90 2.192 11.439 -6.751 1.00 0.00 C ATOM 1360 O GLU A 90 2.627 12.451 -7.313 1.00 0.00 O ATOM 1361 CB GLU A 90 1.318 12.956 -4.863 1.00 0.00 C ATOM 1362 CG GLU A 90 0.103 13.681 -5.455 1.00 0.00 C ATOM 1363 CD GLU A 90 -1.174 13.397 -4.663 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -1.320 13.986 -3.564 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -2.079 12.685 -5.145 1.00 0.00 O ATOM 0 H GLU A 90 3.144 10.638 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 90 0.444 11.145 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.230 12.929 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.224 13.516 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.291 14.755 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.036 13.370 -6.491 1.00 0.00 H new ATOM 1372 N GLY A 91 2.361 10.218 -7.266 1.00 0.00 N ATOM 1373 CA GLY A 91 2.798 9.977 -8.637 1.00 0.00 C ATOM 1374 C GLY A 91 4.267 9.583 -8.717 1.00 0.00 C ATOM 1375 O GLY A 91 5.150 10.419 -8.518 1.00 0.00 O ATOM 0 H GLY A 91 2.196 9.363 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.188 9.187 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.633 10.876 -9.231 1.00 0.00 H new ATOM 1379 N GLY A 92 4.544 8.329 -9.071 1.00 0.00 N ATOM 1380 CA GLY A 92 5.855 7.707 -8.969 1.00 0.00 C ATOM 1381 C GLY A 92 5.753 6.230 -9.314 1.00 0.00 C ATOM 1382 O GLY A 92 4.655 5.663 -9.374 1.00 0.00 O ATOM 0 H GLY A 92 3.835 7.700 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.555 8.200 -9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.247 7.828 -7.959 1.00 0.00 H new ATOM 1386 N THR A 93 6.898 5.604 -9.532 1.00 0.00 N ATOM 1387 CA THR A 93 7.021 4.171 -9.632 1.00 0.00 C ATOM 1388 C THR A 93 7.228 3.553 -8.247 1.00 0.00 C ATOM 1389 O THR A 93 7.359 4.270 -7.251 1.00 0.00 O ATOM 1390 CB THR A 93 8.158 3.858 -10.608 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.374 4.465 -10.213 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.807 4.337 -12.013 1.00 0.00 C ATOM 0 H THR A 93 7.784 6.096 -9.646 1.00 0.00 H new ATOM 0 HA THR A 93 6.105 3.725 -10.021 1.00 0.00 H new ATOM 0 HB THR A 93 8.288 2.776 -10.603 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.076 4.241 -10.859 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.628 4.105 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.902 3.834 -12.353 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.641 5.414 -11.999 1.00 0.00 H new ATOM 1400 N VAL A 94 7.231 2.217 -8.154 1.00 0.00 N ATOM 1401 CA VAL A 94 7.444 1.509 -6.903 1.00 0.00 C ATOM 1402 C VAL A 94 8.681 2.042 -6.176 1.00 0.00 C ATOM 1403 O VAL A 94 8.592 2.194 -4.969 1.00 0.00 O ATOM 1404 CB VAL A 94 7.429 -0.011 -7.148 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.725 -0.812 -5.882 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.047 -0.453 -7.656 1.00 0.00 C ATOM 0 H VAL A 94 7.084 1.601 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 94 6.621 1.701 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 94 8.208 -0.207 -7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.702 -1.877 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.712 -0.544 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.973 -0.588 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.049 -1.530 -7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.289 -0.204 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.821 0.061 -8.590 1.00 0.00 H new ATOM 1416 N GLN A 95 9.773 2.389 -6.863 1.00 0.00 N ATOM 1417 CA GLN A 95 10.965 2.981 -6.255 1.00 0.00 C ATOM 1418 C GLN A 95 10.706 4.309 -5.544 1.00 0.00 C ATOM 1419 O GLN A 95 11.178 4.508 -4.433 1.00 0.00 O ATOM 1420 CB GLN A 95 12.038 3.176 -7.341 1.00 0.00 C ATOM 1421 CG GLN A 95 13.480 3.334 -6.824 1.00 0.00 C ATOM 1422 CD GLN A 95 14.343 2.088 -7.034 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.432 1.532 -8.127 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.003 1.599 -5.999 1.00 0.00 N ATOM 0 H GLN A 95 9.854 2.264 -7.872 1.00 0.00 H new ATOM 0 HA GLN A 95 11.302 2.287 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.004 2.323 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.781 4.059 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.948 4.180 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.452 3.572 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.934 2.055 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.581 0.766 -6.110 1.00 0.00 H new ATOM 1433 N GLU A 96 9.963 5.210 -6.167 1.00 0.00 N ATOM 1434 CA GLU A 96 9.679 6.556 -5.703 1.00 0.00 C ATOM 1435 C GLU A 96 8.885 6.484 -4.415 1.00 0.00 C ATOM 1436 O GLU A 96 9.204 7.196 -3.477 1.00 0.00 O ATOM 1437 CB GLU A 96 8.836 7.279 -6.750 1.00 0.00 C ATOM 1438 CG GLU A 96 9.569 7.784 -7.990 1.00 0.00 C ATOM 1439 CD GLU A 96 10.532 8.933 -7.669 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.046 10.059 -7.412 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.771 8.728 -7.681 1.00 0.00 O ATOM 0 H GLU A 96 9.517 5.008 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 96 10.616 7.089 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.044 6.604 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.353 8.130 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.125 6.962 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.841 8.119 -8.729 1.00 0.00 H new ATOM 1448 N ALA A 97 7.899 5.588 -4.322 1.00 0.00 N ATOM 1449 CA ALA A 97 7.222 5.317 -3.070 1.00 0.00 C ATOM 1450 C ALA A 97 8.183 5.098 -1.898 1.00 0.00 C ATOM 1451 O ALA A 97 7.870 5.492 -0.777 1.00 0.00 O ATOM 1452 CB ALA A 97 6.315 4.106 -3.306 1.00 0.00 C ATOM 0 H ALA A 97 7.556 5.039 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 97 6.636 6.188 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.783 3.865 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.595 4.338 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.920 3.252 -3.610 1.00 0.00 H new ATOM 1458 N ILE A 98 9.327 4.467 -2.136 1.00 0.00 N ATOM 1459 CA ILE A 98 10.277 4.054 -1.111 1.00 0.00 C ATOM 1460 C ILE A 98 11.202 5.210 -0.863 1.00 0.00 C ATOM 1461 O ILE A 98 11.304 5.669 0.266 1.00 0.00 O ATOM 1462 CB ILE A 98 11.134 2.854 -1.582 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.339 1.893 -2.435 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.852 2.152 -0.416 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.044 1.369 -1.824 1.00 0.00 C ATOM 0 H ILE A 98 9.628 4.221 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 98 9.727 3.759 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 98 11.920 3.260 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.099 2.387 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.975 1.041 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.439 1.318 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.512 2.861 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.114 1.780 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.560 0.689 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.267 0.838 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.378 2.205 -1.611 1.00 0.00 H new ATOM 1477 N ASP A 99 11.854 5.654 -1.929 1.00 0.00 N ATOM 1478 CA ASP A 99 12.840 6.702 -1.981 1.00 0.00 C ATOM 1479 C ASP A 99 12.227 7.905 -1.294 1.00 0.00 C ATOM 1480 O ASP A 99 12.782 8.398 -0.310 1.00 0.00 O ATOM 1481 CB ASP A 99 13.237 6.929 -3.453 1.00 0.00 C ATOM 1482 CG ASP A 99 14.352 5.974 -3.886 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.326 4.777 -3.518 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.260 6.381 -4.646 1.00 0.00 O ATOM 0 H ASP A 99 11.686 5.251 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 99 13.768 6.464 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.366 6.787 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.566 7.959 -3.588 1.00 0.00 H new ATOM 1489 N ALA A 100 10.995 8.249 -1.677 1.00 0.00 N ATOM 1490 CA ALA A 100 10.376 9.471 -1.185 1.00 0.00 C ATOM 1491 C ALA A 100 10.057 9.343 0.303 1.00 0.00 C ATOM 1492 O ALA A 100 10.259 10.273 1.076 1.00 0.00 O ATOM 1493 CB ALA A 100 9.124 9.778 -2.005 1.00 0.00 C ATOM 0 H ALA A 100 10.417 7.704 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 100 11.071 10.303 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.662 10.693 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.398 9.907 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.418 8.953 -1.914 1.00 0.00 H new ATOM 1499 N PHE A 101 9.550 8.188 0.722 1.00 0.00 N ATOM 1500 CA PHE A 101 9.261 7.898 2.116 1.00 0.00 C ATOM 1501 C PHE A 101 10.540 7.933 2.954 1.00 0.00 C ATOM 1502 O PHE A 101 10.564 8.514 4.040 1.00 0.00 O ATOM 1503 CB PHE A 101 8.600 6.518 2.183 1.00 0.00 C ATOM 1504 CG PHE A 101 8.740 5.822 3.519 1.00 0.00 C ATOM 1505 CD1 PHE A 101 8.183 6.397 4.677 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.525 4.656 3.615 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.390 5.788 5.925 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.726 4.049 4.865 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.142 4.604 6.015 1.00 0.00 C ATOM 0 H PHE A 101 9.326 7.418 0.091 1.00 0.00 H new ATOM 0 HA PHE A 101 8.590 8.653 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.540 6.625 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.033 5.883 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.599 7.303 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.971 4.230 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.971 6.230 6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.329 3.156 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.271 4.120 6.972 1.00 0.00 H new ATOM 1519 N SER A 102 11.582 7.268 2.470 1.00 0.00 N ATOM 1520 CA SER A 102 12.781 6.949 3.212 1.00 0.00 C ATOM 1521 C SER A 102 13.582 8.220 3.464 1.00 0.00 C ATOM 1522 O SER A 102 14.216 8.358 4.517 1.00 0.00 O ATOM 1523 CB SER A 102 13.535 5.872 2.425 1.00 0.00 C ATOM 1524 OG SER A 102 14.127 6.342 1.230 1.00 0.00 O ATOM 0 H SER A 102 11.609 6.925 1.510 1.00 0.00 H new ATOM 0 HA SER A 102 12.565 6.545 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.312 5.449 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.845 5.063 2.183 1.00 0.00 H new ATOM 0 HG SER A 102 13.554 7.029 0.829 1.00 0.00 H new ATOM 1530 N GLU A 103 13.466 9.179 2.541 1.00 0.00 N ATOM 1531 CA GLU A 103 14.024 10.501 2.671 1.00 0.00 C ATOM 1532 C GLU A 103 12.958 11.495 3.105 1.00 0.00 C ATOM 1533 O GLU A 103 13.109 12.698 2.887 1.00 0.00 O ATOM 1534 CB GLU A 103 14.548 10.891 1.289 1.00 0.00 C ATOM 1535 CG GLU A 103 15.618 9.938 0.755 1.00 0.00 C ATOM 1536 CD GLU A 103 16.309 10.611 -0.434 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.033 11.619 -0.245 1.00 0.00 O ATOM 1538 OE2 GLU A 103 16.117 10.173 -1.590 1.00 0.00 O ATOM 0 H GLU A 103 12.965 9.039 1.664 1.00 0.00 H new ATOM 0 HA GLU A 103 14.814 10.510 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.714 10.920 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.960 11.899 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.344 9.706 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.167 8.994 0.448 1.00 0.00 H new ATOM 1545 N GLY A 104 12.037 11.047 3.957 1.00 0.00 N ATOM 1546 CA GLY A 104 11.052 11.861 4.630 1.00 0.00 C ATOM 1547 C GLY A 104 10.467 12.960 3.742 1.00 0.00 C ATOM 1548 O GLY A 104 10.529 14.140 4.102 1.00 0.00 O ATOM 0 H GLY A 104 11.962 10.060 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.244 11.222 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.507 12.317 5.509 1.00 0.00 H new ATOM 1552 N ARG A 105 9.954 12.579 2.572 1.00 0.00 N ATOM 1553 CA ARG A 105 9.252 13.424 1.613 1.00 0.00 C ATOM 1554 C ARG A 105 7.906 12.784 1.270 1.00 0.00 C ATOM 1555 O ARG A 105 7.464 12.916 0.130 1.00 0.00 O ATOM 1556 CB ARG A 105 10.107 13.569 0.324 1.00 0.00 C ATOM 1557 CG ARG A 105 11.249 14.579 0.404 1.00 0.00 C ATOM 1558 CD ARG A 105 11.912 14.756 -0.976 1.00 0.00 C ATOM 1559 NE ARG A 105 12.208 16.171 -1.245 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.479 16.726 -2.429 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.565 16.004 -3.532 1.00 0.00 N ATOM 1562 NH2 ARG A 105 12.723 18.025 -2.519 1.00 0.00 N ATOM 0 H ARG A 105 10.023 11.613 2.252 1.00 0.00 H new ATOM 0 HA ARG A 105 9.087 14.411 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.524 12.594 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.449 13.854 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.870 15.538 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.990 14.242 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.833 14.175 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.253 14.365 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 105 12.206 16.797 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.423 14.995 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.773 16.456 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.704 18.607 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.929 18.443 -3.426 1.00 0.00 H new ATOM 1576 N LEU A 106 7.181 12.168 2.207 1.00 0.00 N ATOM 1577 CA LEU A 106 5.816 11.715 1.943 1.00 0.00 C ATOM 1578 C LEU A 106 4.873 12.126 3.072 1.00 0.00 C ATOM 1579 O LEU A 106 5.282 12.551 4.157 1.00 0.00 O ATOM 1580 CB LEU A 106 5.775 10.200 1.663 1.00 0.00 C ATOM 1581 CG LEU A 106 6.349 9.745 0.307 1.00 0.00 C ATOM 1582 CD1 LEU A 106 6.085 8.244 0.127 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.709 10.425 -0.911 1.00 0.00 C ATOM 0 H LEU A 106 7.516 11.973 3.151 1.00 0.00 H new ATOM 0 HA LEU A 106 5.461 12.210 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.322 9.690 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.739 9.867 1.726 1.00 0.00 H new ATOM 0 HG LEU A 106 7.406 10.009 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.489 7.916 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.567 7.691 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.011 8.058 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.171 10.047 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.641 10.209 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.860 11.503 -0.847 1.00 0.00 H new ATOM 1595 N GLU A 107 3.583 11.995 2.792 1.00 0.00 N ATOM 1596 CA GLU A 107 2.481 12.498 3.595 1.00 0.00 C ATOM 1597 C GLU A 107 1.967 11.349 4.456 1.00 0.00 C ATOM 1598 O GLU A 107 1.762 10.260 3.931 1.00 0.00 O ATOM 1599 CB GLU A 107 1.362 12.920 2.633 1.00 0.00 C ATOM 1600 CG GLU A 107 1.752 13.966 1.573 1.00 0.00 C ATOM 1601 CD GLU A 107 1.604 15.402 2.092 1.00 0.00 C ATOM 1602 OE1 GLU A 107 1.919 15.652 3.278 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.091 16.267 1.345 1.00 0.00 O ATOM 0 H GLU A 107 3.263 11.509 1.954 1.00 0.00 H new ATOM 0 HA GLU A 107 2.794 13.335 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.994 12.031 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.533 13.316 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.783 13.799 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.128 13.835 0.689 1.00 0.00 H new ATOM 1610 N GLU A 108 1.708 11.551 5.742 1.00 0.00 N ATOM 1611 CA GLU A 108 1.194 10.488 6.607 1.00 0.00 C ATOM 1612 C GLU A 108 -0.331 10.563 6.559 1.00 0.00 C ATOM 1613 O GLU A 108 -0.928 11.491 7.107 1.00 0.00 O ATOM 1614 CB GLU A 108 1.786 10.560 8.025 1.00 0.00 C ATOM 1615 CG GLU A 108 1.801 9.149 8.629 1.00 0.00 C ATOM 1616 CD GLU A 108 2.326 9.110 10.065 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.566 9.102 10.270 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.513 9.001 11.005 1.00 0.00 O ATOM 0 H GLU A 108 1.845 12.445 6.214 1.00 0.00 H new ATOM 0 HA GLU A 108 1.507 9.507 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.797 10.967 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.193 11.230 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.790 8.742 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.418 8.502 8.006 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.976 9.677 5.794 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.407 9.749 5.502 1.00 0.00 C ATOM 1627 C LEU A 109 -3.207 9.141 6.655 1.00 0.00 C ATOM 1628 O LEU A 109 -3.752 8.035 6.551 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.721 9.101 4.147 1.00 0.00 C ATOM 1630 CG LEU A 109 -4.194 9.349 3.761 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -4.496 10.707 3.126 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.710 8.239 2.874 1.00 0.00 C ATOM 0 H LEU A 109 -0.512 8.881 5.356 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.708 10.793 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.064 9.510 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.526 8.030 4.195 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.722 9.358 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.559 10.773 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.226 11.502 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.918 10.816 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.750 8.435 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.111 8.192 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.641 7.289 3.403 1.00 0.00 H new ATOM 1644 N THR A 110 -3.285 9.836 7.783 1.00 0.00 N ATOM 1645 CA THR A 110 -3.987 9.344 8.961 1.00 0.00 C ATOM 1646 C THR A 110 -5.447 9.812 8.945 1.00 0.00 C ATOM 1647 O THR A 110 -6.048 10.029 9.997 1.00 0.00 O ATOM 1648 CB THR A 110 -3.175 9.789 10.196 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.794 11.148 10.135 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.875 8.987 10.248 1.00 0.00 C ATOM 0 H THR A 110 -2.863 10.756 7.907 1.00 0.00 H new ATOM 0 HA THR A 110 -4.052 8.256 8.983 1.00 0.00 H new ATOM 0 HB THR A 110 -3.813 9.629 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.285 11.381 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.293 9.293 11.117 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.106 7.924 10.322 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.298 9.171 9.342 1.00 0.00 H new ATOM 1658 N THR A 111 -6.087 9.851 7.766 1.00 0.00 N ATOM 1659 CA THR A 111 -7.414 10.425 7.614 1.00 0.00 C ATOM 1660 C THR A 111 -7.870 10.249 6.168 1.00 0.00 C ATOM 1661 O THR A 111 -7.089 9.870 5.296 1.00 0.00 O ATOM 1662 CB THR A 111 -7.415 11.907 8.087 1.00 0.00 C ATOM 1663 OG1 THR A 111 -8.501 12.071 8.967 1.00 0.00 O ATOM 1664 CG2 THR A 111 -7.479 13.001 7.014 1.00 0.00 C ATOM 0 H THR A 111 -5.693 9.484 6.900 1.00 0.00 H new ATOM 0 HA THR A 111 -8.134 9.906 8.246 1.00 0.00 H new ATOM 0 HB THR A 111 -6.436 12.055 8.543 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.528 12.998 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.472 13.980 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.616 12.914 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.394 12.887 6.433 1.00 0.00 H new ATOM 1672 N PHE A 112 -9.151 10.504 5.936 1.00 0.00 N ATOM 1673 CA PHE A 112 -9.859 10.403 4.680 1.00 0.00 C ATOM 1674 C PHE A 112 -10.779 11.586 4.441 1.00 0.00 C ATOM 1675 O PHE A 112 -10.905 12.467 5.288 1.00 0.00 O ATOM 1676 CB PHE A 112 -10.642 9.085 4.662 1.00 0.00 C ATOM 1677 CG PHE A 112 -9.965 8.175 3.701 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -8.782 7.587 4.150 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -10.313 8.180 2.343 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -7.890 7.022 3.244 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -9.422 7.597 1.422 1.00 0.00 C ATOM 1682 CZ PHE A 112 -8.203 7.048 1.876 1.00 0.00 C ATOM 0 H PHE A 112 -9.767 10.812 6.689 1.00 0.00 H new ATOM 0 HA PHE A 112 -9.132 10.415 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -10.668 8.641 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -11.676 9.258 4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -8.558 7.570 5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -11.242 8.620 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.971 6.570 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -9.670 7.570 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 112 -7.502 6.643 1.161 1.00 0.00 H new ATOM 1692 N THR A 113 -11.417 11.558 3.277 1.00 0.00 N ATOM 1693 CA THR A 113 -12.642 12.284 2.986 1.00 0.00 C ATOM 1694 C THR A 113 -13.785 11.260 2.929 1.00 0.00 C ATOM 1695 O THR A 113 -13.563 10.042 2.849 1.00 0.00 O ATOM 1696 CB THR A 113 -12.535 13.046 1.646 1.00 0.00 C ATOM 1697 OG1 THR A 113 -11.190 13.248 1.227 1.00 0.00 O ATOM 1698 CG2 THR A 113 -13.197 14.418 1.702 1.00 0.00 C ATOM 0 H THR A 113 -11.082 11.010 2.485 1.00 0.00 H new ATOM 0 HA THR A 113 -12.827 13.026 3.762 1.00 0.00 H new ATOM 0 HB THR A 113 -13.052 12.404 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.182 13.732 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.094 14.912 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 113 -14.255 14.302 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 113 -12.717 15.023 2.471 1.00 0.00 H new ATOM 1706 N ARG A 114 -15.011 11.770 2.901 1.00 0.00 N ATOM 1707 CA ARG A 114 -16.250 11.019 2.995 1.00 0.00 C ATOM 1708 C ARG A 114 -17.185 11.448 1.880 1.00 0.00 C ATOM 1709 O ARG A 114 -17.506 12.631 1.749 1.00 0.00 O ATOM 1710 CB ARG A 114 -16.877 11.292 4.369 1.00 0.00 C ATOM 1711 CG ARG A 114 -18.154 10.480 4.636 1.00 0.00 C ATOM 1712 CD ARG A 114 -17.865 8.979 4.667 1.00 0.00 C ATOM 1713 NE ARG A 114 -18.995 8.223 5.220 1.00 0.00 N ATOM 1714 CZ ARG A 114 -19.513 7.095 4.723 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -18.855 6.394 3.803 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -20.687 6.663 5.163 1.00 0.00 N ATOM 0 H ARG A 114 -15.172 12.773 2.807 1.00 0.00 H new ATOM 0 HA ARG A 114 -16.063 9.950 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -16.145 11.067 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -17.109 12.354 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -18.590 10.788 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -18.891 10.694 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -17.651 8.628 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -16.973 8.792 5.265 1.00 0.00 H new ATOM 0 HE ARG A 114 -19.427 8.594 6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -17.946 6.716 3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -19.259 5.535 3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -21.190 7.191 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -21.087 5.803 4.788 1.00 0.00 H new ATOM 1730 N GLU A 115 -17.652 10.484 1.099 1.00 0.00 N ATOM 1731 CA GLU A 115 -18.601 10.718 0.031 1.00 0.00 C ATOM 1732 C GLU A 115 -20.011 10.434 0.558 1.00 0.00 C ATOM 1733 O GLU A 115 -20.503 9.299 0.515 1.00 0.00 O ATOM 1734 CB GLU A 115 -18.181 9.889 -1.187 1.00 0.00 C ATOM 1735 CG GLU A 115 -18.841 10.390 -2.476 1.00 0.00 C ATOM 1736 CD GLU A 115 -18.067 9.855 -3.678 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -16.973 10.405 -3.947 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -18.535 8.857 -4.278 1.00 0.00 O ATOM 0 H GLU A 115 -17.376 9.507 1.194 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.612 11.755 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.097 9.927 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.448 8.845 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.878 10.059 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.853 11.480 -2.492 1.00 0.00 H new ATOM 1745 N GLY A 116 -20.650 11.471 1.098 1.00 0.00 N ATOM 1746 CA GLY A 116 -22.049 11.454 1.485 1.00 0.00 C ATOM 1747 C GLY A 116 -22.265 11.543 2.979 1.00 0.00 C ATOM 1748 O GLY A 116 -23.448 11.714 3.340 1.00 0.00 O ATOM 0 H GLY A 116 -20.193 12.365 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -22.561 12.286 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.509 10.538 1.114 1.00 0.00 H new TER 1752 GLY A 116