USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 TYR OH : rot 130:sc= 0.0407 USER MOD Set 1.2: A 102 LYS NZ :NH3+ -172:sc= 0.0444 (180deg=-0.044) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.67 K(o=-4.3,f=-6) USER MOD Set 2.2: A 36 ASN : amide:sc= -3.59 K(o=-4.3,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -6:sc= 0.972 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.594 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.32) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.66) USER MOD Single : A 32 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -118:sc= 0.473 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -1.15 (180deg=-1.64) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -160:sc= -0.0362 (180deg=-0.341) USER MOD Single : A 60 GLN : amide:sc=-0.00597 X(o=-0.006,f=-0.29) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc=-0.00533 X(o=-0.0053,f=-0.0073) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -101:sc= -1.96! (180deg=-3.37!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.14! C(o=-1.1!,f=-7.6!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.660 19.805 -8.376 1.00 0.00 N ATOM 2 CA GLY A 1 10.795 20.979 -8.074 1.00 0.00 C ATOM 3 C GLY A 1 10.288 20.974 -6.645 1.00 0.00 C ATOM 4 O GLY A 1 9.104 21.199 -6.398 1.00 0.00 O ATOM 0 H1 GLY A 1 11.981 19.855 -9.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.486 19.810 -7.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.119 18.929 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.356 21.896 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.946 20.986 -8.757 1.00 0.00 H new ATOM 10 N SER A 2 11.188 20.715 -5.701 1.00 0.00 N ATOM 11 CA SER A 2 10.824 20.680 -4.289 1.00 0.00 C ATOM 12 C SER A 2 12.056 20.839 -3.404 1.00 0.00 C ATOM 13 O SER A 2 13.070 20.173 -3.610 1.00 0.00 O ATOM 14 CB SER A 2 10.110 19.368 -3.958 1.00 0.00 C ATOM 15 OG SER A 2 8.839 19.308 -4.581 1.00 0.00 O ATOM 0 H SER A 2 12.173 20.527 -5.888 1.00 0.00 H new ATOM 0 HA SER A 2 10.149 21.513 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.719 18.526 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.994 19.276 -2.878 1.00 0.00 H new ATOM 0 HG SER A 2 8.647 20.165 -5.016 1.00 0.00 H new ATOM 21 N SER A 3 11.959 21.725 -2.417 1.00 0.00 N ATOM 22 CA SER A 3 13.065 21.969 -1.499 1.00 0.00 C ATOM 23 C SER A 3 13.108 20.908 -0.405 1.00 0.00 C ATOM 24 O SER A 3 14.178 20.418 -0.043 1.00 0.00 O ATOM 25 CB SER A 3 12.937 23.360 -0.873 1.00 0.00 C ATOM 26 OG SER A 3 13.959 23.584 0.083 1.00 0.00 O ATOM 0 H SER A 3 11.126 22.285 -2.233 1.00 0.00 H new ATOM 0 HA SER A 3 13.994 21.917 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.991 24.120 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.961 23.460 -0.397 1.00 0.00 H new ATOM 0 HG SER A 3 13.857 24.480 0.468 1.00 0.00 H new ATOM 32 N GLY A 4 11.937 20.555 0.114 1.00 0.00 N ATOM 33 CA GLY A 4 11.862 19.552 1.160 1.00 0.00 C ATOM 34 C GLY A 4 11.424 18.200 0.635 1.00 0.00 C ATOM 35 O GLY A 4 12.099 17.604 -0.205 1.00 0.00 O ATOM 0 H GLY A 4 11.039 20.945 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.837 19.455 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.164 19.884 1.928 1.00 0.00 H new ATOM 39 N SER A 5 10.292 17.711 1.131 1.00 0.00 N ATOM 40 CA SER A 5 9.765 16.420 0.705 1.00 0.00 C ATOM 41 C SER A 5 8.247 16.379 0.844 1.00 0.00 C ATOM 42 O SER A 5 7.626 17.354 1.266 1.00 0.00 O ATOM 43 CB SER A 5 10.395 15.293 1.527 1.00 0.00 C ATOM 44 OG SER A 5 10.635 14.150 0.725 1.00 0.00 O ATOM 0 H SER A 5 9.722 18.190 1.828 1.00 0.00 H new ATOM 0 HA SER A 5 10.019 16.280 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.332 15.638 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.735 15.029 2.354 1.00 0.00 H new ATOM 0 HG SER A 5 11.039 13.445 1.273 1.00 0.00 H new ATOM 50 N SER A 6 7.655 15.244 0.486 1.00 0.00 N ATOM 51 CA SER A 6 6.209 15.076 0.571 1.00 0.00 C ATOM 52 C SER A 6 5.784 14.747 1.999 1.00 0.00 C ATOM 53 O SER A 6 5.012 15.485 2.612 1.00 0.00 O ATOM 54 CB SER A 6 5.746 13.969 -0.379 1.00 0.00 C ATOM 55 OG SER A 6 5.914 14.357 -1.732 1.00 0.00 O ATOM 0 H SER A 6 8.154 14.427 0.134 1.00 0.00 H new ATOM 0 HA SER A 6 5.741 16.016 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.313 13.058 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.697 13.738 -0.191 1.00 0.00 H new ATOM 0 HG SER A 6 5.613 13.633 -2.320 1.00 0.00 H new ATOM 61 N GLY A 7 6.291 13.635 2.520 1.00 0.00 N ATOM 62 CA GLY A 7 5.952 13.228 3.870 1.00 0.00 C ATOM 63 C GLY A 7 6.688 11.974 4.298 1.00 0.00 C ATOM 64 O GLY A 7 7.678 11.585 3.678 1.00 0.00 O ATOM 0 H GLY A 7 6.931 13.009 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.188 14.038 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.878 13.056 3.936 1.00 0.00 H new ATOM 68 N ILE A 8 6.205 11.339 5.360 1.00 0.00 N ATOM 69 CA ILE A 8 6.825 10.121 5.870 1.00 0.00 C ATOM 70 C ILE A 8 6.280 8.888 5.156 1.00 0.00 C ATOM 71 O ILE A 8 5.190 8.919 4.586 1.00 0.00 O ATOM 72 CB ILE A 8 6.598 9.965 7.386 1.00 0.00 C ATOM 73 CG1 ILE A 8 6.948 11.264 8.114 1.00 0.00 C ATOM 74 CG2 ILE A 8 7.423 8.806 7.926 1.00 0.00 C ATOM 75 CD1 ILE A 8 5.735 12.056 8.553 1.00 0.00 C ATOM 0 H ILE A 8 5.386 11.647 5.885 1.00 0.00 H new ATOM 0 HA ILE A 8 7.895 10.207 5.679 1.00 0.00 H new ATOM 0 HB ILE A 8 5.544 9.748 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.555 11.029 8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.560 11.885 7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.253 8.707 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.127 7.884 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.481 8.995 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.058 12.964 9.062 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.139 12.322 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.133 11.453 9.233 1.00 0.00 H new ATOM 87 N SER A 9 7.048 7.804 5.190 1.00 0.00 N ATOM 88 CA SER A 9 6.644 6.560 4.546 1.00 0.00 C ATOM 89 C SER A 9 7.116 5.353 5.350 1.00 0.00 C ATOM 90 O SER A 9 8.133 5.413 6.040 1.00 0.00 O ATOM 91 CB SER A 9 7.205 6.493 3.124 1.00 0.00 C ATOM 92 OG SER A 9 6.471 7.328 2.246 1.00 0.00 O ATOM 0 H SER A 9 7.954 7.762 5.657 1.00 0.00 H new ATOM 0 HA SER A 9 5.555 6.539 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.252 6.796 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.172 5.464 2.765 1.00 0.00 H new ATOM 0 HG SER A 9 6.850 7.269 1.344 1.00 0.00 H new ATOM 98 N LEU A 10 6.371 4.257 5.254 1.00 0.00 N ATOM 99 CA LEU A 10 6.713 3.034 5.970 1.00 0.00 C ATOM 100 C LEU A 10 7.764 2.234 5.208 1.00 0.00 C ATOM 101 O LEU A 10 7.696 2.105 3.986 1.00 0.00 O ATOM 102 CB LEU A 10 5.462 2.180 6.192 1.00 0.00 C ATOM 103 CG LEU A 10 4.807 2.335 7.566 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.369 1.843 7.531 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.604 1.583 8.623 1.00 0.00 C ATOM 0 H LEU A 10 5.526 4.191 4.687 1.00 0.00 H new ATOM 0 HA LEU A 10 7.128 3.313 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.728 2.432 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.726 1.132 6.048 1.00 0.00 H new ATOM 0 HG LEU A 10 4.800 3.393 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.920 1.961 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.803 2.424 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.351 0.790 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.125 1.704 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.641 0.524 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.617 1.982 8.667 1.00 0.00 H new ATOM 117 N LYS A 11 8.736 1.697 5.939 1.00 0.00 N ATOM 118 CA LYS A 11 9.803 0.908 5.333 1.00 0.00 C ATOM 119 C LYS A 11 9.958 -0.432 6.043 1.00 0.00 C ATOM 120 O LYS A 11 10.518 -0.506 7.138 1.00 0.00 O ATOM 121 CB LYS A 11 11.124 1.678 5.378 1.00 0.00 C ATOM 122 CG LYS A 11 11.363 2.550 4.155 1.00 0.00 C ATOM 123 CD LYS A 11 12.500 2.017 3.300 1.00 0.00 C ATOM 124 CE LYS A 11 13.847 2.210 3.981 1.00 0.00 C ATOM 125 NZ LYS A 11 14.782 1.088 3.691 1.00 0.00 N ATOM 0 H LYS A 11 8.807 1.794 6.952 1.00 0.00 H new ATOM 0 HA LYS A 11 9.536 0.719 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.139 2.305 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.946 0.968 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.452 2.599 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.592 3.567 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.341 0.957 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.502 2.526 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.291 3.148 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.701 2.292 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.741 1.348 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.473 0.238 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.785 0.894 2.669 1.00 0.00 H new ATOM 139 N TYR A 12 9.458 -1.492 5.415 1.00 0.00 N ATOM 140 CA TYR A 12 9.541 -2.830 5.988 1.00 0.00 C ATOM 141 C TYR A 12 10.013 -3.841 4.949 1.00 0.00 C ATOM 142 O TYR A 12 9.636 -3.766 3.779 1.00 0.00 O ATOM 143 CB TYR A 12 8.181 -3.253 6.547 1.00 0.00 C ATOM 144 CG TYR A 12 7.965 -2.846 7.987 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.802 -3.313 8.993 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.926 -1.995 8.340 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.608 -2.943 10.311 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.726 -1.620 9.655 1.00 0.00 C ATOM 149 CZ TYR A 12 7.569 -2.097 10.636 1.00 0.00 C ATOM 150 OH TYR A 12 7.373 -1.726 11.947 1.00 0.00 O ATOM 0 H TYR A 12 8.991 -1.450 4.509 1.00 0.00 H new ATOM 0 HA TYR A 12 10.269 -2.805 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.393 -2.816 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.085 -4.336 6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.617 -3.975 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.263 -1.620 7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.267 -3.315 11.082 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.914 -0.957 9.913 1.00 0.00 H new ATOM 0 HH TYR A 12 7.285 -0.751 12.002 1.00 0.00 H new ATOM 160 N THR A 13 10.839 -4.788 5.382 1.00 0.00 N ATOM 161 CA THR A 13 11.364 -5.814 4.490 1.00 0.00 C ATOM 162 C THR A 13 10.396 -6.990 4.384 1.00 0.00 C ATOM 163 O THR A 13 9.376 -7.031 5.073 1.00 0.00 O ATOM 164 CB THR A 13 12.725 -6.303 4.985 1.00 0.00 C ATOM 165 OG1 THR A 13 12.614 -6.874 6.277 1.00 0.00 O ATOM 166 CG2 THR A 13 13.766 -5.207 5.056 1.00 0.00 C ATOM 0 H THR A 13 11.159 -4.866 6.347 1.00 0.00 H new ATOM 0 HA THR A 13 11.483 -5.373 3.500 1.00 0.00 H new ATOM 0 HB THR A 13 13.049 -7.043 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.495 -7.182 6.575 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.708 -5.622 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.912 -4.779 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.429 -4.429 5.740 1.00 0.00 H new ATOM 174 N ALA A 14 10.724 -7.943 3.519 1.00 0.00 N ATOM 175 CA ALA A 14 9.885 -9.119 3.324 1.00 0.00 C ATOM 176 C ALA A 14 10.023 -10.093 4.490 1.00 0.00 C ATOM 177 O ALA A 14 9.079 -10.807 4.830 1.00 0.00 O ATOM 178 CB ALA A 14 10.242 -9.809 2.015 1.00 0.00 C ATOM 0 H ALA A 14 11.565 -7.924 2.942 1.00 0.00 H new ATOM 0 HA ALA A 14 8.847 -8.790 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.608 -10.686 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.086 -9.119 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.287 -10.117 2.039 1.00 0.00 H new ATOM 184 N ALA A 15 11.203 -10.114 5.100 1.00 0.00 N ATOM 185 CA ALA A 15 11.464 -11.000 6.228 1.00 0.00 C ATOM 186 C ALA A 15 10.522 -10.701 7.389 1.00 0.00 C ATOM 187 O ALA A 15 10.064 -11.612 8.079 1.00 0.00 O ATOM 188 CB ALA A 15 12.913 -10.871 6.675 1.00 0.00 C ATOM 0 H ALA A 15 11.994 -9.528 4.832 1.00 0.00 H new ATOM 0 HA ALA A 15 11.285 -12.025 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.094 -11.538 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.573 -11.140 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.110 -9.842 6.977 1.00 0.00 H new ATOM 194 N ARG A 16 10.238 -9.421 7.600 1.00 0.00 N ATOM 195 CA ARG A 16 9.350 -9.002 8.679 1.00 0.00 C ATOM 196 C ARG A 16 7.916 -9.440 8.403 1.00 0.00 C ATOM 197 O ARG A 16 7.286 -10.097 9.231 1.00 0.00 O ATOM 198 CB ARG A 16 9.410 -7.483 8.855 1.00 0.00 C ATOM 199 CG ARG A 16 10.287 -7.040 10.015 1.00 0.00 C ATOM 200 CD ARG A 16 9.670 -7.415 11.354 1.00 0.00 C ATOM 201 NE ARG A 16 10.334 -6.743 12.469 1.00 0.00 N ATOM 202 CZ ARG A 16 10.214 -7.122 13.740 1.00 0.00 C ATOM 203 NH1 ARG A 16 9.458 -8.166 14.060 1.00 0.00 N ATOM 204 NH2 ARG A 16 10.850 -6.457 14.693 1.00 0.00 N ATOM 0 H ARG A 16 10.610 -8.655 7.038 1.00 0.00 H new ATOM 0 HA ARG A 16 9.685 -9.480 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.784 -7.033 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.400 -7.103 9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.271 -7.500 9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.434 -5.961 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.612 -7.154 11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.732 -8.494 11.492 1.00 0.00 H new ATOM 0 HE ARG A 16 10.924 -5.937 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.966 -8.682 13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.370 -8.452 15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.432 -5.654 14.453 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.758 -6.748 15.666 1.00 0.00 H new ATOM 218 N LEU A 17 7.404 -9.072 7.232 1.00 0.00 N ATOM 219 CA LEU A 17 6.043 -9.426 6.847 1.00 0.00 C ATOM 220 C LEU A 17 5.858 -10.940 6.833 1.00 0.00 C ATOM 221 O LEU A 17 4.767 -11.444 7.099 1.00 0.00 O ATOM 222 CB LEU A 17 5.713 -8.847 5.470 1.00 0.00 C ATOM 223 CG LEU A 17 5.839 -7.326 5.360 1.00 0.00 C ATOM 224 CD1 LEU A 17 5.602 -6.873 3.929 1.00 0.00 C ATOM 225 CD2 LEU A 17 4.864 -6.642 6.306 1.00 0.00 C ATOM 0 H LEU A 17 7.912 -8.529 6.534 1.00 0.00 H new ATOM 0 HA LEU A 17 5.361 -9.002 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.372 -9.305 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.694 -9.132 5.208 1.00 0.00 H new ATOM 0 HG LEU A 17 6.852 -7.042 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.696 -5.789 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.339 -7.337 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.601 -7.168 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.967 -5.561 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.845 -6.932 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.081 -6.942 7.331 1.00 0.00 H new ATOM 237 N HIS A 18 6.930 -11.660 6.521 1.00 0.00 N ATOM 238 CA HIS A 18 6.885 -13.117 6.473 1.00 0.00 C ATOM 239 C HIS A 18 6.803 -13.705 7.878 1.00 0.00 C ATOM 240 O HIS A 18 6.093 -14.683 8.113 1.00 0.00 O ATOM 241 CB HIS A 18 8.118 -13.664 5.750 1.00 0.00 C ATOM 242 CG HIS A 18 8.047 -15.133 5.474 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.831 -16.061 6.124 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.276 -15.835 4.608 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.548 -17.270 5.672 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.607 -17.160 4.752 1.00 0.00 N ATOM 0 H HIS A 18 7.841 -11.259 6.298 1.00 0.00 H new ATOM 0 HA HIS A 18 5.991 -13.410 5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.242 -13.131 4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.003 -13.458 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.539 -15.428 3.931 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.008 -18.191 5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.193 -17.934 4.232 1.00 0.00 H new ATOM 255 N GLU A 19 7.534 -13.101 8.810 1.00 0.00 N ATOM 256 CA GLU A 19 7.545 -13.563 10.193 1.00 0.00 C ATOM 257 C GLU A 19 6.238 -13.207 10.895 1.00 0.00 C ATOM 258 O GLU A 19 5.699 -14.001 11.666 1.00 0.00 O ATOM 259 CB GLU A 19 8.725 -12.951 10.948 1.00 0.00 C ATOM 260 CG GLU A 19 10.056 -13.614 10.636 1.00 0.00 C ATOM 261 CD GLU A 19 10.174 -14.999 11.241 1.00 0.00 C ATOM 262 OE1 GLU A 19 9.488 -15.266 12.250 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.952 -15.817 10.707 1.00 0.00 O ATOM 0 H GLU A 19 8.127 -12.290 8.632 1.00 0.00 H new ATOM 0 HA GLU A 19 7.650 -14.648 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.791 -11.891 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.536 -13.021 12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.179 -13.682 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.866 -12.988 11.010 1.00 0.00 H new ATOM 270 N LYS A 20 5.733 -12.008 10.622 1.00 0.00 N ATOM 271 CA LYS A 20 4.491 -11.546 11.228 1.00 0.00 C ATOM 272 C LYS A 20 3.302 -12.352 10.716 1.00 0.00 C ATOM 273 O LYS A 20 2.353 -12.615 11.454 1.00 0.00 O ATOM 274 CB LYS A 20 4.277 -10.060 10.933 1.00 0.00 C ATOM 275 CG LYS A 20 5.336 -9.160 11.549 1.00 0.00 C ATOM 276 CD LYS A 20 5.046 -7.692 11.279 1.00 0.00 C ATOM 277 CE LYS A 20 5.516 -6.812 12.427 1.00 0.00 C ATOM 278 NZ LYS A 20 4.502 -6.727 13.513 1.00 0.00 N ATOM 0 H LYS A 20 6.166 -11.339 9.985 1.00 0.00 H new ATOM 0 HA LYS A 20 4.568 -11.689 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.267 -9.910 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.297 -9.761 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.380 -9.331 12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.315 -9.419 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.541 -7.385 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.976 -7.553 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.448 -7.209 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.731 -5.811 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.861 -6.118 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.621 -6.325 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.315 -7.679 13.888 1.00 0.00 H new ATOM 292 N GLY A 21 3.361 -12.745 9.447 1.00 0.00 N ATOM 293 CA GLY A 21 2.283 -13.518 8.859 1.00 0.00 C ATOM 294 C GLY A 21 1.693 -12.856 7.628 1.00 0.00 C ATOM 295 O GLY A 21 1.035 -13.513 6.820 1.00 0.00 O ATOM 0 H GLY A 21 4.136 -12.542 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.654 -14.507 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.498 -13.662 9.601 1.00 0.00 H new ATOM 299 N VAL A 22 1.926 -11.554 7.482 1.00 0.00 N ATOM 300 CA VAL A 22 1.410 -10.807 6.340 1.00 0.00 C ATOM 301 C VAL A 22 1.840 -11.444 5.023 1.00 0.00 C ATOM 302 O VAL A 22 1.013 -11.968 4.276 1.00 0.00 O ATOM 303 CB VAL A 22 1.884 -9.341 6.367 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.180 -8.532 5.289 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.650 -8.730 7.741 1.00 0.00 C ATOM 0 H VAL A 22 2.469 -10.995 8.141 1.00 0.00 H new ATOM 0 HA VAL A 22 0.323 -10.832 6.413 1.00 0.00 H new ATOM 0 HB VAL A 22 2.954 -9.320 6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.528 -7.499 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.403 -8.957 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.104 -8.558 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.991 -7.695 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.586 -8.762 7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.205 -9.295 8.490 1.00 0.00 H new ATOM 315 N LEU A 23 3.138 -11.396 4.743 1.00 0.00 N ATOM 316 CA LEU A 23 3.677 -11.969 3.516 1.00 0.00 C ATOM 317 C LEU A 23 3.666 -13.493 3.577 1.00 0.00 C ATOM 318 O LEU A 23 3.944 -14.083 4.621 1.00 0.00 O ATOM 319 CB LEU A 23 5.102 -11.465 3.275 1.00 0.00 C ATOM 320 CG LEU A 23 5.563 -11.493 1.817 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.563 -10.772 0.926 1.00 0.00 C ATOM 322 CD2 LEU A 23 6.945 -10.868 1.686 1.00 0.00 C ATOM 0 H LEU A 23 3.836 -10.966 5.350 1.00 0.00 H new ATOM 0 HA LEU A 23 3.043 -11.652 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.176 -10.442 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.789 -12.068 3.869 1.00 0.00 H new ATOM 0 HG LEU A 23 5.622 -12.532 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.908 -10.803 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.592 -11.262 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.471 -9.735 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.259 -10.895 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.910 -9.833 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.656 -11.427 2.294 1.00 0.00 H new ATOM 334 N LEU A 24 3.340 -14.124 2.454 1.00 0.00 N ATOM 335 CA LEU A 24 3.290 -15.579 2.382 1.00 0.00 C ATOM 336 C LEU A 24 4.523 -16.135 1.676 1.00 0.00 C ATOM 337 O LEU A 24 5.360 -16.793 2.295 1.00 0.00 O ATOM 338 CB LEU A 24 2.023 -16.032 1.653 1.00 0.00 C ATOM 339 CG LEU A 24 0.720 -15.436 2.191 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.312 -15.321 1.079 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.181 -16.281 3.335 1.00 0.00 C ATOM 0 H LEU A 24 3.107 -13.650 1.581 1.00 0.00 H new ATOM 0 HA LEU A 24 3.273 -15.966 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.116 -15.772 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.958 -17.119 1.709 1.00 0.00 H new ATOM 0 HG LEU A 24 0.929 -14.436 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.232 -14.895 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.074 -14.675 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.518 -16.310 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.746 -15.843 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.013 -17.293 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.915 -16.313 4.140 1.00 0.00 H new ATOM 353 N GLU A 25 4.628 -15.868 0.378 1.00 0.00 N ATOM 354 CA GLU A 25 5.759 -16.343 -0.410 1.00 0.00 C ATOM 355 C GLU A 25 5.944 -15.495 -1.664 1.00 0.00 C ATOM 356 O GLU A 25 5.192 -14.550 -1.904 1.00 0.00 O ATOM 357 CB GLU A 25 5.557 -17.809 -0.797 1.00 0.00 C ATOM 358 CG GLU A 25 5.887 -18.785 0.320 1.00 0.00 C ATOM 359 CD GLU A 25 5.893 -20.226 -0.150 1.00 0.00 C ATOM 360 OE1 GLU A 25 5.059 -20.574 -1.012 1.00 0.00 O ATOM 361 OE2 GLU A 25 6.732 -21.008 0.345 1.00 0.00 O ATOM 0 H GLU A 25 3.944 -15.326 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 25 6.657 -16.256 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.521 -17.956 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.179 -18.037 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.863 -18.538 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.160 -18.672 1.124 1.00 0.00 H new ATOM 368 N ILE A 26 6.950 -15.841 -2.461 1.00 0.00 N ATOM 369 CA ILE A 26 7.235 -15.112 -3.692 1.00 0.00 C ATOM 370 C ILE A 26 7.553 -16.072 -4.835 1.00 0.00 C ATOM 371 O ILE A 26 8.413 -16.943 -4.706 1.00 0.00 O ATOM 372 CB ILE A 26 8.414 -14.139 -3.509 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.217 -13.295 -2.250 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.561 -13.249 -4.734 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.348 -12.325 -1.987 1.00 0.00 C ATOM 0 H ILE A 26 7.581 -16.621 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 26 6.340 -14.541 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 26 9.330 -14.719 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.285 -12.737 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.111 -13.958 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.399 -12.567 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.744 -13.867 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.646 -12.675 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.139 -11.761 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.280 -12.877 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.441 -11.637 -2.828 1.00 0.00 H new ATOM 387 N GLU A 27 6.854 -15.905 -5.953 1.00 0.00 N ATOM 388 CA GLU A 27 7.062 -16.755 -7.118 1.00 0.00 C ATOM 389 C GLU A 27 8.246 -16.264 -7.948 1.00 0.00 C ATOM 390 O GLU A 27 8.101 -15.947 -9.129 1.00 0.00 O ATOM 391 CB GLU A 27 5.798 -16.793 -7.979 1.00 0.00 C ATOM 392 CG GLU A 27 4.683 -17.637 -7.385 1.00 0.00 C ATOM 393 CD GLU A 27 3.861 -18.345 -8.445 1.00 0.00 C ATOM 394 OE1 GLU A 27 3.841 -17.868 -9.598 1.00 0.00 O ATOM 395 OE2 GLU A 27 3.235 -19.377 -8.120 1.00 0.00 O ATOM 0 H GLU A 27 6.139 -15.188 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 27 7.284 -17.763 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.435 -15.775 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.052 -17.183 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.112 -18.377 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.029 -17.001 -6.788 1.00 0.00 H new ATOM 402 N ASP A 28 9.417 -16.203 -7.322 1.00 0.00 N ATOM 403 CA ASP A 28 10.625 -15.751 -8.002 1.00 0.00 C ATOM 404 C ASP A 28 11.830 -15.810 -7.069 1.00 0.00 C ATOM 405 O ASP A 28 12.899 -16.288 -7.448 1.00 0.00 O ATOM 406 CB ASP A 28 10.438 -14.325 -8.527 1.00 0.00 C ATOM 407 CG ASP A 28 10.901 -14.173 -9.963 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.781 -14.950 -10.388 1.00 0.00 O ATOM 409 OD2 ASP A 28 10.384 -13.275 -10.661 1.00 0.00 O ATOM 0 H ASP A 28 9.555 -16.461 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 28 10.809 -16.418 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.386 -14.050 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.992 -13.632 -7.894 1.00 0.00 H new ATOM 414 N LEU A 29 11.650 -15.319 -5.846 1.00 0.00 N ATOM 415 CA LEU A 29 12.723 -15.315 -4.858 1.00 0.00 C ATOM 416 C LEU A 29 12.459 -16.342 -3.762 1.00 0.00 C ATOM 417 O LEU A 29 11.480 -17.086 -3.817 1.00 0.00 O ATOM 418 CB LEU A 29 12.872 -13.922 -4.244 1.00 0.00 C ATOM 419 CG LEU A 29 12.999 -12.779 -5.253 1.00 0.00 C ATOM 420 CD1 LEU A 29 12.942 -11.434 -4.546 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.288 -12.913 -6.048 1.00 0.00 C ATOM 0 H LEU A 29 10.772 -14.919 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 29 13.650 -15.583 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.010 -13.729 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.752 -13.918 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 29 12.160 -12.836 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.034 -10.633 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.991 -11.339 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.760 -11.365 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.363 -12.092 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.140 -12.882 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.287 -13.861 -6.585 1.00 0.00 H new ATOM 433 N GLN A 30 13.341 -16.375 -2.767 1.00 0.00 N ATOM 434 CA GLN A 30 13.204 -17.311 -1.656 1.00 0.00 C ATOM 435 C GLN A 30 13.129 -16.569 -0.325 1.00 0.00 C ATOM 436 O GLN A 30 13.270 -15.347 -0.275 1.00 0.00 O ATOM 437 CB GLN A 30 14.379 -18.292 -1.640 1.00 0.00 C ATOM 438 CG GLN A 30 14.293 -19.361 -2.716 1.00 0.00 C ATOM 439 CD GLN A 30 14.966 -18.942 -4.009 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.051 -18.363 -3.997 1.00 0.00 O ATOM 441 NE2 GLN A 30 14.322 -19.234 -5.133 1.00 0.00 N ATOM 0 H GLN A 30 14.157 -15.765 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 30 12.277 -17.867 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.308 -17.736 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.426 -18.774 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.756 -20.278 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.246 -19.589 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.424 -19.716 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.726 -18.977 -6.034 1.00 0.00 H new ATOM 450 N VAL A 31 12.906 -17.317 0.752 1.00 0.00 N ATOM 451 CA VAL A 31 12.813 -16.732 2.083 1.00 0.00 C ATOM 452 C VAL A 31 14.100 -16.003 2.456 1.00 0.00 C ATOM 453 O VAL A 31 14.078 -15.029 3.208 1.00 0.00 O ATOM 454 CB VAL A 31 12.515 -17.804 3.149 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.274 -17.161 4.505 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.323 -18.655 2.734 1.00 0.00 C ATOM 0 H VAL A 31 12.787 -18.330 0.727 1.00 0.00 H new ATOM 0 HA VAL A 31 11.990 -16.018 2.057 1.00 0.00 H new ATOM 0 HB VAL A 31 13.385 -18.455 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.065 -17.936 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.161 -16.603 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.423 -16.483 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.128 -19.406 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.445 -18.019 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.541 -19.150 1.787 1.00 0.00 H new ATOM 466 N ASN A 32 15.221 -16.482 1.926 1.00 0.00 N ATOM 467 CA ASN A 32 16.518 -15.876 2.204 1.00 0.00 C ATOM 468 C ASN A 32 16.651 -14.526 1.506 1.00 0.00 C ATOM 469 O ASN A 32 17.372 -13.644 1.974 1.00 0.00 O ATOM 470 CB ASN A 32 17.645 -16.808 1.755 1.00 0.00 C ATOM 471 CG ASN A 32 17.462 -17.291 0.329 1.00 0.00 C ATOM 472 OD1 ASN A 32 16.805 -18.303 0.084 1.00 0.00 O ATOM 473 ND2 ASN A 32 18.045 -16.569 -0.620 1.00 0.00 N ATOM 0 H ASN A 32 15.257 -17.288 1.302 1.00 0.00 H new ATOM 0 HA ASN A 32 16.593 -15.716 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.599 -16.287 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.690 -17.667 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.958 -16.846 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.580 -15.737 -0.372 1.00 0.00 H new ATOM 480 N GLN A 33 15.954 -14.372 0.385 1.00 0.00 N ATOM 481 CA GLN A 33 15.996 -13.128 -0.378 1.00 0.00 C ATOM 482 C GLN A 33 15.090 -12.066 0.242 1.00 0.00 C ATOM 483 O GLN A 33 15.250 -10.875 -0.021 1.00 0.00 O ATOM 484 CB GLN A 33 15.582 -13.384 -1.828 1.00 0.00 C ATOM 485 CG GLN A 33 16.541 -14.289 -2.584 1.00 0.00 C ATOM 486 CD GLN A 33 17.138 -13.620 -3.806 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.596 -12.479 -3.741 1.00 0.00 O ATOM 488 NE2 GLN A 33 17.136 -14.327 -4.930 1.00 0.00 N ATOM 0 H GLN A 33 15.353 -15.092 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 33 17.020 -12.756 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.588 -13.831 -1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.508 -12.430 -2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.344 -14.599 -1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.015 -15.193 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.746 -15.269 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 33 17.524 -13.928 -5.784 1.00 0.00 H new ATOM 497 N PHE A 34 14.139 -12.502 1.064 1.00 0.00 N ATOM 498 CA PHE A 34 13.209 -11.585 1.717 1.00 0.00 C ATOM 499 C PHE A 34 13.949 -10.432 2.390 1.00 0.00 C ATOM 500 O PHE A 34 13.410 -9.335 2.532 1.00 0.00 O ATOM 501 CB PHE A 34 12.365 -12.335 2.752 1.00 0.00 C ATOM 502 CG PHE A 34 11.162 -13.023 2.170 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.211 -13.589 0.904 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.981 -13.107 2.890 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.106 -14.223 0.371 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.873 -13.741 2.361 1.00 0.00 C ATOM 507 CZ PHE A 34 8.936 -14.300 1.100 1.00 0.00 C ATOM 0 H PHE A 34 13.992 -13.485 1.294 1.00 0.00 H new ATOM 0 HA PHE A 34 12.555 -11.170 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.991 -13.076 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.035 -11.632 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.124 -13.533 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.926 -12.672 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.157 -14.659 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.959 -13.799 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.072 -14.797 0.685 1.00 0.00 H new ATOM 517 N LYS A 35 15.187 -10.687 2.802 1.00 0.00 N ATOM 518 CA LYS A 35 15.999 -9.670 3.460 1.00 0.00 C ATOM 519 C LYS A 35 16.204 -8.462 2.550 1.00 0.00 C ATOM 520 O LYS A 35 15.911 -7.330 2.930 1.00 0.00 O ATOM 521 CB LYS A 35 17.354 -10.253 3.867 1.00 0.00 C ATOM 522 CG LYS A 35 17.859 -9.739 5.206 1.00 0.00 C ATOM 523 CD LYS A 35 19.369 -9.569 5.203 1.00 0.00 C ATOM 524 CE LYS A 35 19.803 -8.420 6.099 1.00 0.00 C ATOM 525 NZ LYS A 35 21.279 -8.229 6.083 1.00 0.00 N ATOM 0 H LYS A 35 15.650 -11.589 2.692 1.00 0.00 H new ATOM 0 HA LYS A 35 15.469 -9.342 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.275 -11.339 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.088 -10.018 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.385 -8.784 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.571 -10.433 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.841 -10.492 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.714 -9.388 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.315 -7.502 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.473 -8.612 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.533 -7.436 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.745 -9.096 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.592 -8.021 5.113 1.00 0.00 H new ATOM 539 N ASN A 36 16.710 -8.713 1.346 1.00 0.00 N ATOM 540 CA ASN A 36 16.955 -7.646 0.384 1.00 0.00 C ATOM 541 C ASN A 36 15.646 -6.993 -0.051 1.00 0.00 C ATOM 542 O ASN A 36 15.585 -5.781 -0.260 1.00 0.00 O ATOM 543 CB ASN A 36 17.697 -8.190 -0.838 1.00 0.00 C ATOM 544 CG ASN A 36 16.955 -9.332 -1.504 1.00 0.00 C ATOM 545 OD1 ASN A 36 15.860 -9.151 -2.035 1.00 0.00 O ATOM 546 ND2 ASN A 36 17.551 -10.519 -1.479 1.00 0.00 N ATOM 0 H ASN A 36 16.958 -9.645 1.015 1.00 0.00 H new ATOM 0 HA ASN A 36 17.574 -6.891 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.843 -7.386 -1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.687 -8.531 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.100 -11.325 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.460 -10.624 -1.027 1.00 0.00 H new ATOM 553 N VAL A 37 14.601 -7.802 -0.185 1.00 0.00 N ATOM 554 CA VAL A 37 13.295 -7.302 -0.595 1.00 0.00 C ATOM 555 C VAL A 37 12.769 -6.267 0.393 1.00 0.00 C ATOM 556 O VAL A 37 12.677 -6.529 1.592 1.00 0.00 O ATOM 557 CB VAL A 37 12.269 -8.444 -0.719 1.00 0.00 C ATOM 558 CG1 VAL A 37 10.972 -7.934 -1.329 1.00 0.00 C ATOM 559 CG2 VAL A 37 12.841 -9.588 -1.543 1.00 0.00 C ATOM 0 H VAL A 37 14.633 -8.807 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 37 13.427 -6.836 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 37 12.049 -8.820 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.260 -8.755 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.555 -7.152 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.171 -7.529 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.102 -10.386 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.092 -9.228 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.740 -9.971 -1.059 1.00 0.00 H new ATOM 569 N ILE A 38 12.427 -5.088 -0.118 1.00 0.00 N ATOM 570 CA ILE A 38 11.911 -4.012 0.719 1.00 0.00 C ATOM 571 C ILE A 38 10.553 -3.529 0.219 1.00 0.00 C ATOM 572 O ILE A 38 10.349 -3.356 -0.982 1.00 0.00 O ATOM 573 CB ILE A 38 12.890 -2.821 0.767 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.392 -1.756 1.748 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.074 -2.226 -0.623 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.107 -1.781 3.080 1.00 0.00 C ATOM 0 H ILE A 38 12.498 -4.854 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 38 11.797 -4.417 1.725 1.00 0.00 H new ATOM 0 HB ILE A 38 13.857 -3.183 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.516 -0.772 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.324 -1.898 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.768 -1.387 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.474 -2.986 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.112 -1.879 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.703 -1.000 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.962 -2.753 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.172 -1.608 2.925 1.00 0.00 H new ATOM 588 N PHE A 39 9.628 -3.313 1.149 1.00 0.00 N ATOM 589 CA PHE A 39 8.290 -2.848 0.802 1.00 0.00 C ATOM 590 C PHE A 39 8.090 -1.398 1.230 1.00 0.00 C ATOM 591 O PHE A 39 7.828 -1.116 2.399 1.00 0.00 O ATOM 592 CB PHE A 39 7.232 -3.737 1.460 1.00 0.00 C ATOM 593 CG PHE A 39 6.889 -4.958 0.655 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.081 -4.859 -0.468 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.373 -6.203 1.019 1.00 0.00 C ATOM 596 CE1 PHE A 39 5.764 -5.979 -1.210 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.059 -7.328 0.281 1.00 0.00 C ATOM 598 CZ PHE A 39 6.253 -7.216 -0.836 1.00 0.00 C ATOM 0 H PHE A 39 9.780 -3.452 2.148 1.00 0.00 H new ATOM 0 HA PHE A 39 8.181 -2.906 -0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.590 -4.048 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.327 -3.152 1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.696 -3.895 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.004 -6.296 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.134 -5.888 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.443 -8.293 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.006 -8.093 -1.415 1.00 0.00 H new ATOM 608 N GLU A 40 8.217 -0.482 0.276 1.00 0.00 N ATOM 609 CA GLU A 40 8.052 0.940 0.555 1.00 0.00 C ATOM 610 C GLU A 40 6.630 1.395 0.238 1.00 0.00 C ATOM 611 O GLU A 40 6.241 1.482 -0.926 1.00 0.00 O ATOM 612 CB GLU A 40 9.055 1.760 -0.259 1.00 0.00 C ATOM 613 CG GLU A 40 9.347 3.127 0.337 1.00 0.00 C ATOM 614 CD GLU A 40 9.980 4.075 -0.663 1.00 0.00 C ATOM 615 OE1 GLU A 40 10.942 3.664 -1.345 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.514 5.230 -0.763 1.00 0.00 O ATOM 0 H GLU A 40 8.434 -0.699 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 40 8.238 1.101 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.987 1.201 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.671 1.888 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.420 3.563 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.011 3.012 1.194 1.00 0.00 H new ATOM 623 N ILE A 41 5.861 1.684 1.282 1.00 0.00 N ATOM 624 CA ILE A 41 4.484 2.131 1.115 1.00 0.00 C ATOM 625 C ILE A 41 4.367 3.637 1.318 1.00 0.00 C ATOM 626 O ILE A 41 4.592 4.144 2.417 1.00 0.00 O ATOM 627 CB ILE A 41 3.536 1.417 2.098 1.00 0.00 C ATOM 628 CG1 ILE A 41 3.761 -0.096 2.055 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.088 1.751 1.775 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.360 -0.803 3.332 1.00 0.00 C ATOM 0 H ILE A 41 6.168 1.617 2.252 1.00 0.00 H new ATOM 0 HA ILE A 41 4.193 1.880 0.095 1.00 0.00 H new ATOM 0 HB ILE A 41 3.754 1.768 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.195 -0.516 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.814 -0.293 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.431 1.239 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.936 2.827 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.857 1.426 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.547 -1.872 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.944 -0.410 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.300 -0.637 3.523 1.00 0.00 H new ATOM 642 N SER A 42 4.014 4.348 0.253 1.00 0.00 N ATOM 643 CA SER A 42 3.866 5.797 0.316 1.00 0.00 C ATOM 644 C SER A 42 2.446 6.183 0.732 1.00 0.00 C ATOM 645 O SER A 42 1.497 5.986 -0.026 1.00 0.00 O ATOM 646 CB SER A 42 4.198 6.424 -1.039 1.00 0.00 C ATOM 647 OG SER A 42 5.340 5.816 -1.616 1.00 0.00 O ATOM 0 H SER A 42 3.825 3.944 -0.664 1.00 0.00 H new ATOM 0 HA SER A 42 4.562 6.175 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.347 6.317 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.374 7.493 -0.915 1.00 0.00 H new ATOM 0 HG SER A 42 5.530 6.233 -2.482 1.00 0.00 H new ATOM 653 N PRO A 43 2.280 6.739 1.947 1.00 0.00 N ATOM 654 CA PRO A 43 0.965 7.148 2.451 1.00 0.00 C ATOM 655 C PRO A 43 0.433 8.389 1.742 1.00 0.00 C ATOM 656 O PRO A 43 1.151 9.373 1.568 1.00 0.00 O ATOM 657 CB PRO A 43 1.231 7.447 3.927 1.00 0.00 C ATOM 658 CG PRO A 43 2.668 7.830 3.980 1.00 0.00 C ATOM 659 CD PRO A 43 3.354 7.013 2.921 1.00 0.00 C ATOM 0 HA PRO A 43 0.208 6.382 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.593 8.253 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.030 6.576 4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.795 8.896 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.090 7.626 4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.180 7.559 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.769 6.092 3.331 1.00 0.00 H new ATOM 667 N THR A 44 -0.832 8.334 1.336 1.00 0.00 N ATOM 668 CA THR A 44 -1.463 9.454 0.648 1.00 0.00 C ATOM 669 C THR A 44 -2.051 10.445 1.647 1.00 0.00 C ATOM 670 O THR A 44 -1.958 10.249 2.858 1.00 0.00 O ATOM 671 CB THR A 44 -2.559 8.949 -0.292 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.425 8.054 0.383 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.018 8.232 -1.511 1.00 0.00 C ATOM 0 H THR A 44 -1.439 7.526 1.472 1.00 0.00 H new ATOM 0 HA THR A 44 -0.699 9.966 0.063 1.00 0.00 H new ATOM 0 HB THR A 44 -3.091 9.841 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.378 7.171 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.847 7.900 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.384 8.911 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.433 7.368 -1.195 1.00 0.00 H new ATOM 681 N GLU A 45 -2.657 11.509 1.130 1.00 0.00 N ATOM 682 CA GLU A 45 -3.261 12.532 1.976 1.00 0.00 C ATOM 683 C GLU A 45 -4.736 12.233 2.245 1.00 0.00 C ATOM 684 O GLU A 45 -5.479 13.101 2.699 1.00 0.00 O ATOM 685 CB GLU A 45 -3.121 13.908 1.323 1.00 0.00 C ATOM 686 CG GLU A 45 -2.824 15.024 2.312 1.00 0.00 C ATOM 687 CD GLU A 45 -4.011 15.942 2.531 1.00 0.00 C ATOM 688 OE1 GLU A 45 -4.421 16.623 1.568 1.00 0.00 O ATOM 689 OE2 GLU A 45 -4.530 15.979 3.666 1.00 0.00 O ATOM 0 H GLU A 45 -2.743 11.685 0.129 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.734 12.529 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.323 13.869 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.042 14.143 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.525 14.589 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.979 15.609 1.950 1.00 0.00 H new ATOM 696 N GLU A 46 -5.153 11.000 1.964 1.00 0.00 N ATOM 697 CA GLU A 46 -6.537 10.596 2.179 1.00 0.00 C ATOM 698 C GLU A 46 -6.606 9.185 2.754 1.00 0.00 C ATOM 699 O GLU A 46 -5.591 8.497 2.862 1.00 0.00 O ATOM 700 CB GLU A 46 -7.321 10.667 0.866 1.00 0.00 C ATOM 701 CG GLU A 46 -8.185 11.909 0.740 1.00 0.00 C ATOM 702 CD GLU A 46 -8.767 12.076 -0.650 1.00 0.00 C ATOM 703 OE1 GLU A 46 -8.004 11.951 -1.632 1.00 0.00 O ATOM 704 OE2 GLU A 46 -9.985 12.332 -0.758 1.00 0.00 O ATOM 0 H GLU A 46 -4.552 10.266 1.588 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.985 11.283 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.620 10.636 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.955 9.784 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.997 11.858 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.590 12.788 0.989 1.00 0.00 H new ATOM 711 N VAL A 47 -7.810 8.758 3.123 1.00 0.00 N ATOM 712 CA VAL A 47 -8.010 7.429 3.687 1.00 0.00 C ATOM 713 C VAL A 47 -8.702 6.507 2.688 1.00 0.00 C ATOM 714 O VAL A 47 -9.828 6.766 2.265 1.00 0.00 O ATOM 715 CB VAL A 47 -8.843 7.488 4.984 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.235 8.034 4.707 1.00 0.00 C ATOM 717 CG2 VAL A 47 -8.918 6.113 5.634 1.00 0.00 C ATOM 0 H VAL A 47 -8.661 9.314 3.041 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.022 7.030 3.919 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.348 8.167 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.805 8.067 5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.156 9.040 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.744 7.387 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.509 6.174 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.386 5.410 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.912 5.769 5.875 1.00 0.00 H new ATOM 727 N GLY A 48 -8.019 5.429 2.313 1.00 0.00 N ATOM 728 CA GLY A 48 -8.582 4.485 1.368 1.00 0.00 C ATOM 729 C GLY A 48 -7.599 4.092 0.282 1.00 0.00 C ATOM 730 O GLY A 48 -7.434 2.910 -0.017 1.00 0.00 O ATOM 0 H GLY A 48 -7.085 5.194 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.905 3.591 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.470 4.921 0.909 1.00 0.00 H new ATOM 734 N ASP A 49 -6.945 5.087 -0.309 1.00 0.00 N ATOM 735 CA ASP A 49 -5.972 4.839 -1.368 1.00 0.00 C ATOM 736 C ASP A 49 -4.582 4.605 -0.786 1.00 0.00 C ATOM 737 O ASP A 49 -4.156 5.307 0.132 1.00 0.00 O ATOM 738 CB ASP A 49 -5.939 6.017 -2.343 1.00 0.00 C ATOM 739 CG ASP A 49 -5.517 5.599 -3.738 1.00 0.00 C ATOM 740 OD1 ASP A 49 -4.538 4.832 -3.857 1.00 0.00 O ATOM 741 OD2 ASP A 49 -6.164 6.039 -4.711 1.00 0.00 O ATOM 0 H ASP A 49 -7.071 6.071 -0.073 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.276 3.940 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.926 6.477 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.251 6.775 -1.970 1.00 0.00 H new ATOM 746 N PHE A 50 -3.879 3.616 -1.327 1.00 0.00 N ATOM 747 CA PHE A 50 -2.536 3.290 -0.863 1.00 0.00 C ATOM 748 C PHE A 50 -1.567 3.184 -2.035 1.00 0.00 C ATOM 749 O PHE A 50 -1.958 2.826 -3.147 1.00 0.00 O ATOM 750 CB PHE A 50 -2.550 1.976 -0.078 1.00 0.00 C ATOM 751 CG PHE A 50 -3.445 2.007 1.128 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.123 2.788 2.226 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.609 1.256 1.162 1.00 0.00 C ATOM 754 CE1 PHE A 50 -3.945 2.818 3.337 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.434 1.282 2.269 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.102 2.064 3.358 1.00 0.00 C ATOM 0 H PHE A 50 -4.217 3.026 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.200 4.094 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.872 1.171 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.534 1.741 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.220 3.380 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.874 0.643 0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.683 3.430 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.338 0.691 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.746 2.086 4.225 1.00 0.00 H new ATOM 766 N GLU A 51 -0.301 3.499 -1.781 1.00 0.00 N ATOM 767 CA GLU A 51 0.725 3.439 -2.817 1.00 0.00 C ATOM 768 C GLU A 51 1.783 2.396 -2.475 1.00 0.00 C ATOM 769 O GLU A 51 2.591 2.590 -1.567 1.00 0.00 O ATOM 770 CB GLU A 51 1.379 4.811 -2.994 1.00 0.00 C ATOM 771 CG GLU A 51 1.464 5.261 -4.443 1.00 0.00 C ATOM 772 CD GLU A 51 1.321 6.763 -4.597 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.171 7.252 -4.600 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.357 7.450 -4.712 1.00 0.00 O ATOM 0 H GLU A 51 0.039 3.798 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 51 0.247 3.149 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.814 5.550 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.383 4.783 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.420 4.946 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.684 4.764 -5.020 1.00 0.00 H new ATOM 781 N VAL A 52 1.772 1.286 -3.207 1.00 0.00 N ATOM 782 CA VAL A 52 2.732 0.212 -2.982 1.00 0.00 C ATOM 783 C VAL A 52 3.931 0.341 -3.914 1.00 0.00 C ATOM 784 O VAL A 52 3.778 0.610 -5.106 1.00 0.00 O ATOM 785 CB VAL A 52 2.084 -1.171 -3.186 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.037 -2.276 -2.756 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.771 -1.263 -2.425 1.00 0.00 C ATOM 0 H VAL A 52 1.109 1.107 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 52 3.068 0.300 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 52 1.871 -1.299 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.562 -3.245 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.949 -2.222 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.284 -2.154 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.328 -2.247 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.956 -1.113 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.087 -0.495 -2.786 1.00 0.00 H new ATOM 797 N LYS A 53 5.125 0.149 -3.365 1.00 0.00 N ATOM 798 CA LYS A 53 6.352 0.243 -4.147 1.00 0.00 C ATOM 799 C LYS A 53 7.272 -0.939 -3.864 1.00 0.00 C ATOM 800 O LYS A 53 7.133 -1.617 -2.845 1.00 0.00 O ATOM 801 CB LYS A 53 7.078 1.554 -3.839 1.00 0.00 C ATOM 802 CG LYS A 53 8.143 1.915 -4.862 1.00 0.00 C ATOM 803 CD LYS A 53 8.731 3.291 -4.591 1.00 0.00 C ATOM 804 CE LYS A 53 10.229 3.319 -4.857 1.00 0.00 C ATOM 805 NZ LYS A 53 10.555 4.036 -6.120 1.00 0.00 N ATOM 0 H LYS A 53 5.269 -0.073 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 53 6.082 0.224 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.347 2.361 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.541 1.481 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.937 1.168 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.711 1.893 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.235 4.030 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.539 3.573 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.737 3.803 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.607 2.298 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.421 3.635 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.769 3.930 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.704 5.045 -5.918 1.00 0.00 H new ATOM 819 N ALA A 54 8.212 -1.182 -4.771 1.00 0.00 N ATOM 820 CA ALA A 54 9.156 -2.283 -4.618 1.00 0.00 C ATOM 821 C ALA A 54 10.394 -2.069 -5.482 1.00 0.00 C ATOM 822 O ALA A 54 10.375 -2.321 -6.687 1.00 0.00 O ATOM 823 CB ALA A 54 8.486 -3.603 -4.971 1.00 0.00 C ATOM 0 H ALA A 54 8.341 -0.631 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 54 9.474 -2.315 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.201 -4.417 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.636 -3.768 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.141 -3.571 -6.004 1.00 0.00 H new ATOM 829 N LYS A 55 11.470 -1.601 -4.857 1.00 0.00 N ATOM 830 CA LYS A 55 12.718 -1.352 -5.568 1.00 0.00 C ATOM 831 C LYS A 55 13.921 -1.678 -4.688 1.00 0.00 C ATOM 832 O LYS A 55 13.767 -2.050 -3.525 1.00 0.00 O ATOM 833 CB LYS A 55 12.787 0.107 -6.026 1.00 0.00 C ATOM 834 CG LYS A 55 12.198 0.338 -7.408 1.00 0.00 C ATOM 835 CD LYS A 55 13.189 -0.022 -8.504 1.00 0.00 C ATOM 836 CE LYS A 55 14.423 0.863 -8.450 1.00 0.00 C ATOM 837 NZ LYS A 55 15.139 0.897 -9.755 1.00 0.00 N ATOM 0 H LYS A 55 11.502 -1.387 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 55 12.744 -2.002 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.258 0.731 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.828 0.431 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.293 -0.259 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.905 1.383 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.484 -1.066 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.709 0.079 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.132 1.875 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.098 0.499 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.975 1.511 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.439 -0.065 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.504 1.269 -10.490 1.00 0.00 H new ATOM 851 N PHE A 56 15.116 -1.535 -5.250 1.00 0.00 N ATOM 852 CA PHE A 56 16.344 -1.815 -4.515 1.00 0.00 C ATOM 853 C PHE A 56 17.035 -0.520 -4.098 1.00 0.00 C ATOM 854 O PHE A 56 17.623 -0.438 -3.020 1.00 0.00 O ATOM 855 CB PHE A 56 17.292 -2.660 -5.368 1.00 0.00 C ATOM 856 CG PHE A 56 16.918 -4.113 -5.418 1.00 0.00 C ATOM 857 CD1 PHE A 56 15.677 -4.507 -5.893 1.00 0.00 C ATOM 858 CD2 PHE A 56 17.808 -5.087 -4.993 1.00 0.00 C ATOM 859 CE1 PHE A 56 15.330 -5.843 -5.941 1.00 0.00 C ATOM 860 CE2 PHE A 56 17.466 -6.425 -5.038 1.00 0.00 C ATOM 861 CZ PHE A 56 16.226 -6.804 -5.513 1.00 0.00 C ATOM 0 H PHE A 56 15.261 -1.227 -6.212 1.00 0.00 H new ATOM 0 HA PHE A 56 16.081 -2.372 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.308 -2.262 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.304 -2.567 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.973 -3.760 -6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 56 18.780 -4.797 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.359 -6.136 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.168 -7.174 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.957 -7.849 -5.550 1.00 0.00 H new ATOM 871 N MET A 57 16.959 0.490 -4.959 1.00 0.00 N ATOM 872 CA MET A 57 17.576 1.781 -4.680 1.00 0.00 C ATOM 873 C MET A 57 16.518 2.831 -4.353 1.00 0.00 C ATOM 874 O MET A 57 16.759 3.746 -3.566 1.00 0.00 O ATOM 875 CB MET A 57 18.414 2.238 -5.875 1.00 0.00 C ATOM 876 CG MET A 57 19.597 1.332 -6.172 1.00 0.00 C ATOM 877 SD MET A 57 21.041 1.722 -5.165 1.00 0.00 S ATOM 878 CE MET A 57 21.578 3.254 -5.923 1.00 0.00 C ATOM 0 H MET A 57 16.476 0.439 -5.856 1.00 0.00 H new ATOM 0 HA MET A 57 18.226 1.665 -3.813 1.00 0.00 H new ATOM 0 HB2 MET A 57 17.776 2.289 -6.757 1.00 0.00 H new ATOM 0 HB3 MET A 57 18.779 3.248 -5.687 1.00 0.00 H new ATOM 0 HG2 MET A 57 19.308 0.295 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 57 19.860 1.418 -7.226 1.00 0.00 H new ATOM 0 HE1 MET A 57 22.622 3.438 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 57 21.473 3.181 -7.005 1.00 0.00 H new ATOM 0 HE3 MET A 57 20.966 4.077 -5.554 1.00 0.00 H new ATOM 888 N GLY A 58 15.346 2.691 -4.963 1.00 0.00 N ATOM 889 CA GLY A 58 14.269 3.634 -4.724 1.00 0.00 C ATOM 890 C GLY A 58 14.287 4.794 -5.700 1.00 0.00 C ATOM 891 O GLY A 58 14.781 5.874 -5.380 1.00 0.00 O ATOM 0 H GLY A 58 15.123 1.942 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.313 3.116 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.345 4.018 -3.707 1.00 0.00 H new ATOM 895 N VAL A 59 13.745 4.570 -6.893 1.00 0.00 N ATOM 896 CA VAL A 59 13.700 5.606 -7.917 1.00 0.00 C ATOM 897 C VAL A 59 12.309 6.224 -8.013 1.00 0.00 C ATOM 898 O VAL A 59 11.310 5.516 -8.141 1.00 0.00 O ATOM 899 CB VAL A 59 14.104 5.048 -9.298 1.00 0.00 C ATOM 900 CG1 VAL A 59 13.132 3.968 -9.749 1.00 0.00 C ATOM 901 CG2 VAL A 59 14.183 6.169 -10.324 1.00 0.00 C ATOM 0 H VAL A 59 13.331 3.681 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 59 14.414 6.375 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 59 15.092 4.596 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.436 3.589 -10.725 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.134 3.152 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.129 4.388 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.469 5.757 -11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.210 6.654 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.926 6.901 -10.007 1.00 0.00 H new ATOM 911 N GLN A 60 12.252 7.551 -7.951 1.00 0.00 N ATOM 912 CA GLN A 60 10.983 8.266 -8.031 1.00 0.00 C ATOM 913 C GLN A 60 10.604 8.540 -9.482 1.00 0.00 C ATOM 914 O GLN A 60 11.137 9.455 -10.111 1.00 0.00 O ATOM 915 CB GLN A 60 11.066 9.583 -7.255 1.00 0.00 C ATOM 916 CG GLN A 60 11.466 9.407 -5.800 1.00 0.00 C ATOM 917 CD GLN A 60 10.662 10.288 -4.864 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.291 11.408 -5.213 1.00 0.00 O ATOM 919 NE2 GLN A 60 10.387 9.783 -3.666 1.00 0.00 N ATOM 0 H GLN A 60 13.069 8.152 -7.846 1.00 0.00 H new ATOM 0 HA GLN A 60 10.211 7.638 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.786 10.239 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.098 10.083 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.334 8.363 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.526 9.636 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.715 8.849 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.848 10.329 -2.994 1.00 0.00 H new ATOM 928 N MET A 61 9.681 7.741 -10.008 1.00 0.00 N ATOM 929 CA MET A 61 9.231 7.898 -11.386 1.00 0.00 C ATOM 930 C MET A 61 7.904 7.180 -11.610 1.00 0.00 C ATOM 931 O MET A 61 6.985 7.728 -12.219 1.00 0.00 O ATOM 932 CB MET A 61 10.288 7.360 -12.353 1.00 0.00 C ATOM 933 CG MET A 61 10.579 8.295 -13.517 1.00 0.00 C ATOM 934 SD MET A 61 12.039 9.316 -13.238 1.00 0.00 S ATOM 935 CE MET A 61 12.331 9.945 -14.889 1.00 0.00 C ATOM 0 H MET A 61 9.231 6.979 -9.501 1.00 0.00 H new ATOM 0 HA MET A 61 9.083 8.961 -11.576 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.212 7.178 -11.804 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.955 6.399 -12.744 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.719 7.707 -14.424 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.716 8.939 -13.685 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.205 10.596 -14.881 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.505 9.112 -15.570 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.461 10.510 -15.222 1.00 0.00 H new ATOM 945 N GLU A 62 7.810 5.952 -11.113 1.00 0.00 N ATOM 946 CA GLU A 62 6.596 5.158 -11.259 1.00 0.00 C ATOM 947 C GLU A 62 6.222 4.490 -9.939 1.00 0.00 C ATOM 948 O GLU A 62 7.091 4.074 -9.174 1.00 0.00 O ATOM 949 CB GLU A 62 6.781 4.097 -12.345 1.00 0.00 C ATOM 950 CG GLU A 62 7.880 3.094 -12.035 1.00 0.00 C ATOM 951 CD GLU A 62 8.579 2.593 -13.283 1.00 0.00 C ATOM 952 OE1 GLU A 62 9.174 3.421 -14.004 1.00 0.00 O ATOM 953 OE2 GLU A 62 8.534 1.371 -13.539 1.00 0.00 O ATOM 0 H GLU A 62 8.561 5.484 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 62 5.787 5.828 -11.550 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.841 3.562 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.008 4.592 -13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.613 3.556 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.453 2.247 -11.497 1.00 0.00 H new ATOM 960 N THR A 63 4.921 4.392 -9.679 1.00 0.00 N ATOM 961 CA THR A 63 4.432 3.774 -8.452 1.00 0.00 C ATOM 962 C THR A 63 3.172 2.957 -8.718 1.00 0.00 C ATOM 963 O THR A 63 2.446 3.212 -9.681 1.00 0.00 O ATOM 964 CB THR A 63 4.151 4.843 -7.394 1.00 0.00 C ATOM 965 OG1 THR A 63 4.833 6.046 -7.702 1.00 0.00 O ATOM 966 CG2 THR A 63 4.562 4.426 -5.999 1.00 0.00 C ATOM 0 H THR A 63 4.188 4.732 -10.301 1.00 0.00 H new ATOM 0 HA THR A 63 5.205 3.102 -8.080 1.00 0.00 H new ATOM 0 HB THR A 63 3.071 4.987 -7.409 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.639 6.717 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.335 5.229 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.015 3.528 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.632 4.220 -5.981 1.00 0.00 H new ATOM 974 N PHE A 64 2.917 1.976 -7.861 1.00 0.00 N ATOM 975 CA PHE A 64 1.744 1.122 -8.003 1.00 0.00 C ATOM 976 C PHE A 64 0.587 1.639 -7.155 1.00 0.00 C ATOM 977 O PHE A 64 0.796 2.224 -6.092 1.00 0.00 O ATOM 978 CB PHE A 64 2.082 -0.315 -7.601 1.00 0.00 C ATOM 979 CG PHE A 64 1.082 -1.326 -8.085 1.00 0.00 C ATOM 980 CD1 PHE A 64 0.789 -1.440 -9.434 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.434 -2.162 -7.189 1.00 0.00 C ATOM 982 CE1 PHE A 64 -0.131 -2.369 -9.881 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.486 -3.093 -7.631 1.00 0.00 C ATOM 984 CZ PHE A 64 -0.769 -3.197 -8.979 1.00 0.00 C ATOM 0 H PHE A 64 3.507 1.752 -7.060 1.00 0.00 H new ATOM 0 HA PHE A 64 1.439 1.138 -9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.065 -0.572 -7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.148 -0.373 -6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.285 -0.795 -10.144 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.651 -2.085 -6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.351 -2.447 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.984 -3.739 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.488 -3.924 -9.327 1.00 0.00 H new ATOM 994 N MET A 65 -0.635 1.421 -7.631 1.00 0.00 N ATOM 995 CA MET A 65 -1.825 1.865 -6.917 1.00 0.00 C ATOM 996 C MET A 65 -2.562 0.680 -6.298 1.00 0.00 C ATOM 997 O MET A 65 -2.727 -0.361 -6.934 1.00 0.00 O ATOM 998 CB MET A 65 -2.759 2.624 -7.861 1.00 0.00 C ATOM 999 CG MET A 65 -2.506 4.123 -7.890 1.00 0.00 C ATOM 1000 SD MET A 65 -3.813 5.031 -8.737 1.00 0.00 S ATOM 1001 CE MET A 65 -3.790 6.578 -7.834 1.00 0.00 C ATOM 0 H MET A 65 -0.826 0.939 -8.509 1.00 0.00 H new ATOM 0 HA MET A 65 -1.509 2.533 -6.116 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.646 2.225 -8.869 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.791 2.444 -7.561 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.416 4.492 -6.868 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.554 4.318 -8.385 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.546 7.249 -8.242 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.002 6.388 -6.782 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.807 7.040 -7.928 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.003 0.848 -5.057 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.723 -0.208 -4.352 1.00 0.00 C ATOM 1013 C LEU A 66 -5.008 0.330 -3.733 1.00 0.00 C ATOM 1014 O LEU A 66 -5.006 1.379 -3.087 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.836 -0.821 -3.266 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.193 -2.255 -2.873 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -2.942 -3.205 -4.033 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.399 -2.683 -1.648 1.00 0.00 C ATOM 0 H LEU A 66 -2.875 1.704 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.986 -0.980 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.802 -0.801 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.889 -0.193 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.254 -2.291 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.202 -4.221 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.555 -2.909 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.889 -3.167 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.665 -3.706 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.333 -2.631 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.630 -2.019 -0.815 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.104 -0.394 -3.932 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.397 0.011 -3.393 1.00 0.00 C ATOM 1032 C HIS A 67 -7.750 -0.807 -2.155 1.00 0.00 C ATOM 1033 O HIS A 67 -7.327 -1.955 -2.016 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.488 -0.146 -4.454 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.441 1.006 -4.507 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -9.607 1.795 -5.625 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -10.285 1.502 -3.570 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -10.509 2.727 -5.375 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.937 2.570 -4.135 1.00 0.00 N ATOM 0 H HIS A 67 -6.123 -1.265 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.331 1.060 -3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.019 -0.264 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.047 -1.061 -4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.420 1.127 -2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.840 3.488 -6.066 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.638 3.149 -3.672 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.528 -0.210 -1.259 1.00 0.00 N ATOM 1049 CA TYR A 68 -8.939 -0.884 -0.032 1.00 0.00 C ATOM 1050 C TYR A 68 -10.092 -1.846 -0.299 1.00 0.00 C ATOM 1051 O TYR A 68 -10.225 -2.872 0.368 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.350 0.143 1.025 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.341 -0.403 2.436 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.209 -1.018 2.955 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -10.465 -0.301 3.246 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.198 -1.518 4.243 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -10.460 -0.798 4.537 1.00 0.00 C ATOM 1058 CZ TYR A 68 -9.325 -1.405 5.029 1.00 0.00 C ATOM 1059 OH TYR A 68 -9.317 -1.901 6.313 1.00 0.00 O ATOM 0 H TYR A 68 -8.887 0.739 -1.359 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.090 -1.458 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.676 0.998 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.350 0.511 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.324 -1.107 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.356 0.173 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.311 -1.995 4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.341 -0.711 5.156 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.188 -1.740 6.731 1.00 0.00 H new ATOM 1069 N GLN A 69 -10.925 -1.507 -1.278 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.067 -2.341 -1.633 1.00 0.00 C ATOM 1071 C GLN A 69 -11.612 -3.729 -2.075 1.00 0.00 C ATOM 1072 O GLN A 69 -12.140 -4.742 -1.616 1.00 0.00 O ATOM 1073 CB GLN A 69 -12.885 -1.676 -2.744 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.302 -1.321 -2.325 1.00 0.00 C ATOM 1075 CD GLN A 69 -14.540 0.176 -2.275 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -14.766 0.814 -3.303 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -14.488 0.743 -1.076 1.00 0.00 N ATOM 0 H GLN A 69 -10.830 -0.661 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.694 -2.452 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.373 -0.770 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.926 -2.345 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.007 -1.774 -3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.505 -1.750 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.298 0.174 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.639 1.747 -0.980 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.632 -3.767 -2.972 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.105 -5.030 -3.479 1.00 0.00 C ATOM 1088 C ASP A 70 -9.610 -5.915 -2.340 1.00 0.00 C ATOM 1089 O ASP A 70 -9.656 -7.142 -2.430 1.00 0.00 O ATOM 1090 CB ASP A 70 -8.969 -4.771 -4.470 1.00 0.00 C ATOM 1091 CG ASP A 70 -8.945 -5.781 -5.600 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.033 -6.215 -6.032 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -7.837 -6.139 -6.053 1.00 0.00 O ATOM 0 H ASP A 70 -10.186 -2.937 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.914 -5.551 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.074 -3.769 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.016 -4.799 -3.941 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.133 -5.285 -1.272 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.628 -6.016 -0.115 1.00 0.00 C ATOM 1100 C LEU A 71 -9.772 -6.642 0.676 1.00 0.00 C ATOM 1101 O LEU A 71 -9.700 -7.804 1.077 1.00 0.00 O ATOM 1102 CB LEU A 71 -7.816 -5.085 0.787 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.668 -4.352 0.092 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -5.997 -3.381 1.052 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.657 -5.348 -0.455 1.00 0.00 C ATOM 0 H LEU A 71 -9.085 -4.270 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.981 -6.816 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.489 -4.346 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.408 -5.668 1.613 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.076 -3.782 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.182 -2.868 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.727 -2.649 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.601 -3.930 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.846 -4.811 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.253 -5.944 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.146 -6.005 -1.175 1.00 0.00 H new ATOM 1117 N LEU A 72 -10.825 -5.863 0.899 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.985 -6.341 1.645 1.00 0.00 C ATOM 1119 C LEU A 72 -12.821 -7.296 0.800 1.00 0.00 C ATOM 1120 O LEU A 72 -13.446 -8.219 1.324 1.00 0.00 O ATOM 1121 CB LEU A 72 -12.845 -5.160 2.100 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.131 -4.147 2.997 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -12.784 -2.779 2.884 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.132 -4.623 4.443 1.00 0.00 C ATOM 0 H LEU A 72 -10.900 -4.899 0.575 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.625 -6.881 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.219 -4.641 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.713 -5.547 2.634 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.097 -4.061 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.262 -2.072 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.731 -2.435 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.828 -2.848 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.620 -3.891 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.160 -4.738 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.617 -5.581 4.511 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.828 -7.070 -0.510 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.589 -7.912 -1.426 1.00 0.00 C ATOM 1138 C GLN A 73 -13.111 -9.359 -1.361 1.00 0.00 C ATOM 1139 O GLN A 73 -13.900 -10.291 -1.520 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.469 -7.382 -2.858 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.808 -7.187 -3.549 1.00 0.00 C ATOM 1142 CD GLN A 73 -15.484 -8.500 -3.893 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -15.047 -9.219 -4.792 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -16.555 -8.820 -3.177 1.00 0.00 N ATOM 0 H GLN A 73 -12.316 -6.312 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.636 -7.883 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.937 -6.431 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.865 -8.075 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.464 -6.603 -2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.661 -6.608 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.882 -8.194 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.051 -9.692 -3.363 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.816 -9.541 -1.127 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.234 -10.875 -1.040 1.00 0.00 C ATOM 1155 C LEU A 74 -11.651 -11.567 0.253 1.00 0.00 C ATOM 1156 O LEU A 74 -11.791 -12.789 0.298 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.708 -10.796 -1.121 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.158 -10.279 -2.451 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.726 -9.796 -2.283 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.236 -11.363 -3.516 1.00 0.00 C ATOM 0 H LEU A 74 -11.149 -8.781 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.605 -11.461 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.350 -10.149 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.297 -11.789 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.769 -9.436 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.350 -9.432 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.698 -8.989 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.102 -10.621 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.841 -10.978 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.649 -12.225 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.275 -11.663 -3.655 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.850 -10.777 1.303 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.253 -11.314 2.597 1.00 0.00 C ATOM 1174 C GLN A 75 -13.698 -11.803 2.558 1.00 0.00 C ATOM 1175 O GLN A 75 -14.064 -12.746 3.257 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.091 -10.253 3.686 1.00 0.00 C ATOM 1177 CG GLN A 75 -12.245 -10.799 5.096 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.819 -9.802 6.157 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.593 -9.462 7.052 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.582 -9.329 6.061 1.00 0.00 N ATOM 0 H GLN A 75 -11.739 -9.763 1.283 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.608 -12.162 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.108 -9.792 3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.829 -9.466 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.285 -11.078 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.651 -11.707 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.975 -9.639 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.239 -8.656 6.746 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.514 -11.154 1.733 1.00 0.00 N ATOM 1190 CA TYR A 76 -15.918 -11.522 1.601 1.00 0.00 C ATOM 1191 C TYR A 76 -16.085 -12.700 0.647 1.00 0.00 C ATOM 1192 O TYR A 76 -16.896 -13.595 0.884 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.736 -10.328 1.104 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.218 -10.608 1.001 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.883 -11.313 1.997 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.952 -10.168 -0.093 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.237 -11.571 1.905 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.307 -10.422 -0.192 1.00 0.00 C ATOM 1199 CZ TYR A 76 -20.945 -11.123 0.809 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.293 -11.378 0.714 1.00 0.00 O ATOM 0 H TYR A 76 -14.226 -10.371 1.146 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.283 -11.820 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.580 -9.486 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.363 -10.026 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.332 -11.665 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.456 -9.618 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.739 -12.121 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.863 -10.073 -1.049 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.641 -10.994 -0.118 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.311 -12.693 -0.435 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.373 -13.761 -1.426 1.00 0.00 C ATOM 1212 C GLU A 77 -14.824 -15.065 -0.853 1.00 0.00 C ATOM 1213 O GLU A 77 -15.307 -16.149 -1.179 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.589 -13.367 -2.680 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.468 -12.868 -3.815 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.169 -13.557 -5.132 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -13.990 -13.566 -5.544 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -16.115 -14.088 -5.752 1.00 0.00 O ATOM 0 H GLU A 77 -14.634 -11.960 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.418 -13.916 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.870 -12.590 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.017 -14.228 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.515 -13.027 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.328 -11.793 -3.932 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.812 -14.950 0.000 1.00 0.00 N ATOM 1226 CA GLY A 78 -13.212 -16.126 0.604 1.00 0.00 C ATOM 1227 C GLY A 78 -11.785 -16.350 0.146 1.00 0.00 C ATOM 1228 O GLY A 78 -11.311 -17.485 0.104 1.00 0.00 O ATOM 0 H GLY A 78 -13.396 -14.063 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.230 -16.022 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.811 -17.003 0.358 1.00 0.00 H new ATOM 1232 N VAL A 79 -11.099 -15.266 -0.199 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.717 -15.347 -0.657 1.00 0.00 C ATOM 1234 C VAL A 79 -8.768 -14.694 0.342 1.00 0.00 C ATOM 1235 O VAL A 79 -8.696 -13.468 0.433 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.539 -14.675 -2.032 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -8.152 -14.957 -2.593 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.620 -15.140 -2.997 1.00 0.00 C ATOM 0 H VAL A 79 -11.478 -14.320 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.475 -16.406 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.638 -13.597 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.047 -14.474 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.397 -14.567 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.017 -16.033 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.479 -14.655 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.557 -16.221 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.600 -14.877 -2.599 1.00 0.00 H new ATOM 1248 N ALA A 80 -8.041 -15.518 1.089 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.096 -15.018 2.081 1.00 0.00 C ATOM 1250 C ALA A 80 -5.693 -14.878 1.494 1.00 0.00 C ATOM 1251 O ALA A 80 -4.716 -14.733 2.230 1.00 0.00 O ATOM 1252 CB ALA A 80 -7.072 -15.934 3.294 1.00 0.00 C ATOM 0 H ALA A 80 -8.088 -16.535 1.026 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.428 -14.027 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.363 -15.549 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.066 -15.975 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.770 -16.936 2.988 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.595 -14.919 0.168 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.311 -14.792 -0.507 1.00 0.00 C ATOM 1260 C VAL A 81 -4.388 -13.779 -1.644 1.00 0.00 C ATOM 1261 O VAL A 81 -5.331 -13.791 -2.436 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.831 -16.143 -1.073 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -2.418 -16.022 -1.623 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.906 -17.228 -0.009 1.00 0.00 C ATOM 0 H VAL A 81 -6.391 -15.039 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.596 -14.447 0.240 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.492 -16.425 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.097 -16.986 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.400 -15.279 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.742 -15.714 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.563 -18.174 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.273 -16.954 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.936 -17.334 0.330 1.00 0.00 H new ATOM 1274 N MET A 82 -3.392 -12.905 -1.718 1.00 0.00 N ATOM 1275 CA MET A 82 -3.345 -11.885 -2.759 1.00 0.00 C ATOM 1276 C MET A 82 -2.098 -12.046 -3.621 1.00 0.00 C ATOM 1277 O MET A 82 -1.118 -12.659 -3.200 1.00 0.00 O ATOM 1278 CB MET A 82 -3.372 -10.488 -2.134 1.00 0.00 C ATOM 1279 CG MET A 82 -3.621 -9.376 -3.138 1.00 0.00 C ATOM 1280 SD MET A 82 -4.262 -7.877 -2.370 1.00 0.00 S ATOM 1281 CE MET A 82 -3.552 -6.623 -3.433 1.00 0.00 C ATOM 0 H MET A 82 -2.605 -12.882 -1.069 1.00 0.00 H new ATOM 0 HA MET A 82 -4.222 -12.008 -3.395 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.148 -10.456 -1.370 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.422 -10.306 -1.631 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.690 -9.145 -3.656 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.327 -9.724 -3.892 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.680 -6.185 -2.947 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.252 -7.075 -4.378 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.291 -5.845 -3.621 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.143 -11.492 -4.828 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.015 -11.576 -5.747 1.00 0.00 C ATOM 1293 C LYS A 83 -0.538 -10.186 -6.153 1.00 0.00 C ATOM 1294 O LYS A 83 -1.152 -9.527 -6.992 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.400 -12.379 -6.991 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.218 -12.722 -7.883 1.00 0.00 C ATOM 1297 CD LYS A 83 0.552 -13.920 -7.351 1.00 0.00 C ATOM 1298 CE LYS A 83 0.206 -15.189 -8.114 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.363 -16.124 -8.190 1.00 0.00 N ATOM 0 H LYS A 83 -2.947 -10.981 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.199 -12.085 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.890 -13.302 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.128 -11.810 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.572 -12.934 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.448 -11.862 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.622 -13.729 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.327 -14.058 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.633 -15.688 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.118 -14.930 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.086 -16.976 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.155 -15.657 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.657 -16.392 -7.229 1.00 0.00 H new ATOM 1313 N LEU A 84 0.561 -9.747 -5.550 1.00 0.00 N ATOM 1314 CA LEU A 84 1.123 -8.435 -5.847 1.00 0.00 C ATOM 1315 C LEU A 84 2.221 -8.543 -6.901 1.00 0.00 C ATOM 1316 O LEU A 84 3.096 -9.404 -6.814 1.00 0.00 O ATOM 1317 CB LEU A 84 1.679 -7.794 -4.574 1.00 0.00 C ATOM 1318 CG LEU A 84 0.693 -6.907 -3.813 1.00 0.00 C ATOM 1319 CD1 LEU A 84 1.190 -6.644 -2.400 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.474 -5.597 -4.556 1.00 0.00 C ATOM 0 H LEU A 84 1.080 -10.280 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 84 0.326 -7.805 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.022 -8.585 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.553 -7.198 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.261 -7.430 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.475 -6.011 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.295 -7.590 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.157 -6.142 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.230 -4.977 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.423 -5.070 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.072 -5.804 -5.548 1.00 0.00 H new ATOM 1332 N PHE A 85 2.166 -7.665 -7.896 1.00 0.00 N ATOM 1333 CA PHE A 85 3.154 -7.663 -8.968 1.00 0.00 C ATOM 1334 C PHE A 85 3.150 -8.993 -9.719 1.00 0.00 C ATOM 1335 O PHE A 85 4.132 -9.352 -10.368 1.00 0.00 O ATOM 1336 CB PHE A 85 4.549 -7.387 -8.402 1.00 0.00 C ATOM 1337 CG PHE A 85 4.760 -5.954 -8.003 1.00 0.00 C ATOM 1338 CD1 PHE A 85 5.050 -4.991 -8.956 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.670 -5.571 -6.674 1.00 0.00 C ATOM 1340 CE1 PHE A 85 5.245 -3.672 -8.592 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.863 -4.254 -6.304 1.00 0.00 C ATOM 1342 CZ PHE A 85 5.151 -3.303 -7.264 1.00 0.00 C ATOM 0 H PHE A 85 1.448 -6.946 -7.983 1.00 0.00 H new ATOM 0 HA PHE A 85 2.890 -6.872 -9.670 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.713 -8.026 -7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.296 -7.663 -9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.125 -5.274 -9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.446 -6.310 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.471 -2.931 -9.345 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.789 -3.968 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.302 -2.273 -6.977 1.00 0.00 H new ATOM 1352 N ASP A 86 2.039 -9.720 -9.625 1.00 0.00 N ATOM 1353 CA ASP A 86 1.907 -11.009 -10.297 1.00 0.00 C ATOM 1354 C ASP A 86 3.035 -11.956 -9.896 1.00 0.00 C ATOM 1355 O ASP A 86 3.539 -12.720 -10.720 1.00 0.00 O ATOM 1356 CB ASP A 86 1.902 -10.817 -11.816 1.00 0.00 C ATOM 1357 CG ASP A 86 0.694 -10.035 -12.295 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -0.431 -10.352 -11.854 1.00 0.00 O ATOM 1359 OD2 ASP A 86 0.874 -9.106 -13.111 1.00 0.00 O ATOM 0 H ASP A 86 1.218 -9.438 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 86 0.961 -11.454 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.811 -10.297 -12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.917 -11.792 -12.303 1.00 0.00 H new ATOM 1364 N ARG A 87 3.425 -11.901 -8.628 1.00 0.00 N ATOM 1365 CA ARG A 87 4.493 -12.756 -8.120 1.00 0.00 C ATOM 1366 C ARG A 87 4.367 -12.950 -6.612 1.00 0.00 C ATOM 1367 O ARG A 87 3.953 -14.011 -6.145 1.00 0.00 O ATOM 1368 CB ARG A 87 5.859 -12.154 -8.456 1.00 0.00 C ATOM 1369 CG ARG A 87 6.173 -12.147 -9.942 1.00 0.00 C ATOM 1370 CD ARG A 87 7.549 -11.563 -10.218 1.00 0.00 C ATOM 1371 NE ARG A 87 7.786 -11.373 -11.646 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.732 -10.576 -12.140 1.00 0.00 C ATOM 1373 NH1 ARG A 87 9.529 -9.896 -11.326 1.00 0.00 N ATOM 1374 NH2 ARG A 87 8.880 -10.460 -13.453 1.00 0.00 N ATOM 0 H ARG A 87 3.019 -11.275 -7.933 1.00 0.00 H new ATOM 0 HA ARG A 87 4.403 -13.730 -8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.898 -11.132 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.633 -12.716 -7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.124 -13.164 -10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.417 -11.567 -10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.647 -10.607 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.312 -12.225 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 87 7.193 -11.880 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.419 -9.982 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.252 -9.287 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.270 -10.981 -14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.604 -9.850 -13.833 1.00 0.00 H new ATOM 1388 N ALA A 88 4.730 -11.919 -5.856 1.00 0.00 N ATOM 1389 CA ALA A 88 4.661 -11.976 -4.400 1.00 0.00 C ATOM 1390 C ALA A 88 3.242 -12.263 -3.925 1.00 0.00 C ATOM 1391 O ALA A 88 2.270 -11.800 -4.522 1.00 0.00 O ATOM 1392 CB ALA A 88 5.167 -10.674 -3.798 1.00 0.00 C ATOM 0 H ALA A 88 5.075 -11.034 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 88 5.299 -12.794 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.110 -10.730 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.202 -10.512 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.552 -9.846 -4.152 1.00 0.00 H new ATOM 1398 N LYS A 89 3.130 -13.030 -2.844 1.00 0.00 N ATOM 1399 CA LYS A 89 1.830 -13.380 -2.285 1.00 0.00 C ATOM 1400 C LYS A 89 1.710 -12.897 -0.844 1.00 0.00 C ATOM 1401 O LYS A 89 2.528 -13.247 0.009 1.00 0.00 O ATOM 1402 CB LYS A 89 1.614 -14.894 -2.347 1.00 0.00 C ATOM 1403 CG LYS A 89 0.924 -15.358 -3.619 1.00 0.00 C ATOM 1404 CD LYS A 89 0.751 -16.868 -3.639 1.00 0.00 C ATOM 1405 CE LYS A 89 2.031 -17.570 -4.064 1.00 0.00 C ATOM 1406 NZ LYS A 89 1.993 -19.026 -3.760 1.00 0.00 N ATOM 0 H LYS A 89 3.925 -13.421 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 89 1.062 -12.886 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.579 -15.394 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.019 -15.203 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.051 -14.878 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.507 -15.046 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.456 -17.215 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.055 -17.134 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.186 -17.426 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.881 -17.115 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.884 -19.468 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.871 -19.164 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.198 -19.466 -4.266 1.00 0.00 H new ATOM 1420 N VAL A 90 0.689 -12.089 -0.577 1.00 0.00 N ATOM 1421 CA VAL A 90 0.464 -11.556 0.761 1.00 0.00 C ATOM 1422 C VAL A 90 -0.897 -11.982 1.301 1.00 0.00 C ATOM 1423 O VAL A 90 -1.816 -12.272 0.535 1.00 0.00 O ATOM 1424 CB VAL A 90 0.550 -10.017 0.775 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.552 -9.495 2.203 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.785 -9.542 0.022 1.00 0.00 C ATOM 0 H VAL A 90 0.004 -11.789 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 90 1.249 -11.962 1.399 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.329 -9.618 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.613 -8.407 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.366 -9.802 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.410 -9.902 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.828 -8.453 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.679 -9.949 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.734 -9.883 -1.012 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.018 -12.016 2.624 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.268 -12.405 3.267 1.00 0.00 C ATOM 1438 C ASN A 91 -3.215 -11.214 3.379 1.00 0.00 C ATOM 1439 O ASN A 91 -2.882 -10.200 3.990 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.992 -12.985 4.656 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.202 -13.686 5.241 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.302 -13.610 4.696 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.003 -14.375 6.359 1.00 0.00 N ATOM 0 H ASN A 91 -0.266 -11.779 3.271 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.744 -13.168 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.162 -13.689 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.681 -12.184 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.780 -14.868 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.073 -14.411 6.777 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.395 -11.346 2.784 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.391 -10.282 2.816 1.00 0.00 C ATOM 1452 C VAL A 92 -5.996 -10.133 4.208 1.00 0.00 C ATOM 1453 O VAL A 92 -6.402 -9.042 4.607 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.522 -10.539 1.801 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.463 -9.345 1.733 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -5.949 -10.852 0.427 1.00 0.00 C ATOM 0 H VAL A 92 -4.685 -12.180 2.273 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.875 -9.360 2.548 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.093 -11.404 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.254 -9.546 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.903 -9.172 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.906 -8.460 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.764 -11.030 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.350 -10.009 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.322 -11.741 0.488 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.055 -11.239 4.944 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.612 -11.232 6.291 1.00 0.00 C ATOM 1468 C ASN A 93 -5.689 -10.502 7.262 1.00 0.00 C ATOM 1469 O ASN A 93 -6.144 -9.910 8.241 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.848 -12.664 6.775 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.220 -13.184 6.395 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.517 -13.384 5.218 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -9.066 -13.406 7.395 1.00 0.00 N ATOM 0 H ASN A 93 -5.724 -12.151 4.629 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.565 -10.703 6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.085 -13.318 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.736 -12.702 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.004 -13.756 7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.777 -13.226 8.357 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.390 -10.549 6.986 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.404 -9.893 7.838 1.00 0.00 C ATOM 1482 C LEU A 94 -2.971 -8.556 7.245 1.00 0.00 C ATOM 1483 O LEU A 94 -2.642 -7.620 7.973 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.185 -10.797 8.031 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.430 -12.038 8.889 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.250 -12.994 8.796 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.684 -11.642 10.336 1.00 0.00 C ATOM 0 H LEU A 94 -3.996 -11.034 6.180 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.867 -9.705 8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.829 -11.116 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.386 -10.212 8.486 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.315 -12.549 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.443 -13.871 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.113 -13.303 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.348 -12.494 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.857 -12.537 10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.817 -11.108 10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.561 -10.997 10.388 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.974 -8.473 5.919 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.582 -7.249 5.228 1.00 0.00 C ATOM 1501 C LEU A 95 -3.480 -6.084 5.631 1.00 0.00 C ATOM 1502 O LEU A 95 -3.002 -4.977 5.882 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.638 -7.454 3.713 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.302 -6.216 2.878 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.823 -5.884 2.989 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.695 -6.433 1.425 1.00 0.00 C ATOM 0 H LEU A 95 -3.243 -9.238 5.301 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.559 -7.010 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.947 -8.253 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.638 -7.794 3.445 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.872 -5.372 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.602 -5.001 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.572 -5.687 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.233 -6.726 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.449 -5.543 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.151 -7.289 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.767 -6.623 1.362 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.783 -6.340 5.689 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.747 -5.312 6.062 1.00 0.00 C ATOM 1520 C ILE A 96 -5.726 -5.058 7.565 1.00 0.00 C ATOM 1521 O ILE A 96 -5.983 -3.942 8.020 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.176 -5.702 5.640 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.197 -6.146 4.177 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.130 -4.537 5.858 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.511 -6.766 3.752 1.00 0.00 C ATOM 0 H ILE A 96 -5.195 -7.250 5.483 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.456 -4.402 5.538 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.505 -6.537 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.988 -5.285 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.395 -6.866 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.136 -4.829 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.134 -4.263 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.805 -3.684 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.454 -7.057 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.712 -7.646 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.315 -6.042 3.884 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.418 -6.098 8.332 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.363 -5.986 9.785 1.00 0.00 C ATOM 1539 C PHE A 97 -4.265 -5.018 10.216 1.00 0.00 C ATOM 1540 O PHE A 97 -4.469 -4.186 11.100 1.00 0.00 O ATOM 1541 CB PHE A 97 -5.123 -7.359 10.415 1.00 0.00 C ATOM 1542 CG PHE A 97 -5.282 -7.370 11.908 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.532 -7.221 12.487 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -4.180 -7.530 12.734 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -6.680 -7.231 13.861 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -4.322 -7.541 14.107 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.575 -7.391 14.672 1.00 0.00 C ATOM 0 H PHE A 97 -5.203 -7.028 7.972 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.321 -5.598 10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.818 -8.076 9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.117 -7.695 10.162 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.400 -7.096 11.857 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.199 -7.647 12.298 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.660 -7.114 14.300 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.455 -7.667 14.739 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.689 -7.399 15.746 1.00 0.00 H new ATOM 1557 N LEU A 98 -3.102 -5.132 9.583 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.972 -4.266 9.901 1.00 0.00 C ATOM 1559 C LEU A 98 -2.287 -2.813 9.560 1.00 0.00 C ATOM 1560 O LEU A 98 -1.938 -1.901 10.308 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.724 -4.722 9.141 1.00 0.00 C ATOM 1562 CG LEU A 98 0.604 -4.264 9.743 1.00 0.00 C ATOM 1563 CD1 LEU A 98 0.810 -4.885 11.115 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.758 -4.620 8.817 1.00 0.00 C ATOM 0 H LEU A 98 -2.917 -5.814 8.848 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.783 -4.336 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.726 -5.811 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.787 -4.355 8.117 1.00 0.00 H new ATOM 0 HG LEU A 98 0.575 -3.180 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.761 -4.548 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.001 -4.582 11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.819 -5.971 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.696 -4.287 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.788 -5.700 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.617 -4.128 7.854 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.949 -2.607 8.426 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.312 -1.265 7.986 1.00 0.00 C ATOM 1578 C LEU A 99 -4.332 -0.638 8.932 1.00 0.00 C ATOM 1579 O LEU A 99 -4.380 0.581 9.089 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.876 -1.306 6.565 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.890 -1.762 5.489 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.598 -1.935 4.154 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.746 -0.768 5.362 1.00 0.00 C ATOM 0 H LEU A 99 -3.245 -3.352 7.795 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.411 -0.652 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.738 -1.973 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.238 -0.311 6.306 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.478 -2.727 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.880 -2.260 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.384 -2.684 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.038 -0.985 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.053 -1.107 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.142 0.210 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.222 -0.693 6.315 1.00 0.00 H new ATOM 1595 N ASN A 100 -5.147 -1.481 9.560 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.167 -1.009 10.489 1.00 0.00 C ATOM 1597 C ASN A 100 -5.541 -0.208 11.628 1.00 0.00 C ATOM 1598 O ASN A 100 -6.170 0.692 12.185 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.956 -2.192 11.055 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.444 -1.908 11.134 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.860 -0.786 11.419 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -9.255 -2.930 10.880 1.00 0.00 N ATOM 0 H ASN A 100 -5.120 -2.494 9.442 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.846 -0.355 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.789 -3.069 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.581 -2.433 12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.266 -2.800 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.866 -3.844 10.648 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.302 -0.542 11.970 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.593 0.146 13.043 1.00 0.00 C ATOM 1611 C LYS A 101 -2.422 0.957 12.495 1.00 0.00 C ATOM 1612 O LYS A 101 -2.041 1.979 13.066 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.090 -0.862 14.078 1.00 0.00 C ATOM 1614 CG LYS A 101 -4.075 -1.121 15.206 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.439 -1.927 16.327 1.00 0.00 C ATOM 1616 CE LYS A 101 -2.906 -1.025 17.428 1.00 0.00 C ATOM 1617 NZ LYS A 101 -3.964 -0.659 18.408 1.00 0.00 N ATOM 0 H LYS A 101 -3.767 -1.285 11.520 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.292 0.832 13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.869 -1.804 13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.154 -0.498 14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.437 -0.171 15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.942 -1.656 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.174 -2.616 16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.626 -2.532 15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.090 -1.529 17.946 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.492 -0.119 16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.559 -0.043 19.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.731 -0.156 17.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.342 -1.522 18.849 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.853 0.494 11.386 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.724 1.175 10.765 1.00 0.00 C ATOM 1633 C LYS A 102 -1.164 2.480 10.108 1.00 0.00 C ATOM 1634 O LYS A 102 -0.693 3.558 10.470 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.062 0.266 9.726 1.00 0.00 C ATOM 1636 CG LYS A 102 0.897 -0.747 10.326 1.00 0.00 C ATOM 1637 CD LYS A 102 2.038 -0.065 11.064 1.00 0.00 C ATOM 1638 CE LYS A 102 3.256 -0.970 11.166 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.400 -0.289 11.831 1.00 0.00 N ATOM 0 H LYS A 102 -2.156 -0.350 10.900 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.002 1.411 11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.837 -0.264 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.477 0.883 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.357 -1.399 11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.300 -1.380 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.309 0.855 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.709 0.217 12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.994 -1.869 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.555 -1.290 10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.248 -0.887 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.579 0.623 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.173 -0.127 12.833 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.067 2.376 9.138 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.565 3.548 8.429 1.00 0.00 C ATOM 1655 C PHE A 103 -3.813 4.110 9.102 1.00 0.00 C ATOM 1656 O PHE A 103 -3.872 5.295 9.430 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.873 3.197 6.973 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.651 3.136 6.099 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.749 2.092 6.221 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -1.406 4.125 5.160 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.376 2.034 5.420 1.00 0.00 C ATOM 1662 CE2 PHE A 103 -0.283 4.072 4.357 1.00 0.00 C ATOM 1663 CZ PHE A 103 0.609 3.026 4.487 1.00 0.00 C ATOM 0 H PHE A 103 -2.468 1.492 8.825 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.787 4.311 8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.382 2.234 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.563 3.937 6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.927 1.315 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.100 4.946 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.072 1.214 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.103 4.848 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.488 2.983 3.860 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.810 3.254 9.305 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.059 3.668 9.938 1.00 0.00 C ATOM 1675 C TYR A 104 -5.797 4.300 11.303 1.00 0.00 C ATOM 1676 O TYR A 104 -5.689 3.600 12.311 1.00 0.00 O ATOM 1677 CB TYR A 104 -7.003 2.472 10.084 1.00 0.00 C ATOM 1678 CG TYR A 104 -8.301 2.628 9.324 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -8.385 2.296 7.978 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -9.442 3.108 9.954 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -9.569 2.438 7.281 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -10.631 3.252 9.264 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.688 2.916 7.928 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.870 3.058 7.238 1.00 0.00 O ATOM 0 H TYR A 104 -4.778 2.269 9.041 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.530 4.416 9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.494 1.573 9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.226 2.323 11.140 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.510 1.921 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.399 3.373 11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.618 2.176 6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -11.510 3.625 9.768 1.00 0.00 H new ATOM 0 HH TYR A 104 -12.561 3.405 7.840 1.00 0.00 H new ATOM 1694 N GLY A 105 -5.696 5.624 11.327 1.00 0.00 N ATOM 1695 CA GLY A 105 -5.449 6.328 12.570 1.00 0.00 C ATOM 1696 C GLY A 105 -5.943 7.760 12.535 1.00 0.00 C ATOM 1697 O GLY A 105 -5.212 8.686 12.889 1.00 0.00 O ATOM 0 H GLY A 105 -5.781 6.223 10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.939 5.798 13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.380 6.321 12.781 1.00 0.00 H new ATOM 1701 N LYS A 106 -7.187 7.944 12.105 1.00 0.00 N ATOM 1702 CA LYS A 106 -7.780 9.275 12.024 1.00 0.00 C ATOM 1703 C LYS A 106 -9.135 9.313 12.726 1.00 0.00 C ATOM 1704 O LYS A 106 -10.006 10.106 12.369 1.00 0.00 O ATOM 1705 CB LYS A 106 -7.937 9.705 10.562 1.00 0.00 C ATOM 1706 CG LYS A 106 -8.364 8.580 9.628 1.00 0.00 C ATOM 1707 CD LYS A 106 -9.866 8.348 9.683 1.00 0.00 C ATOM 1708 CE LYS A 106 -10.563 8.910 8.453 1.00 0.00 C ATOM 1709 NZ LYS A 106 -10.574 10.399 8.452 1.00 0.00 N ATOM 0 H LYS A 106 -7.804 7.189 11.807 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.110 9.971 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.672 10.508 10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.990 10.115 10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.070 8.822 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.843 7.662 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.067 7.280 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.275 8.815 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.061 8.550 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.587 8.539 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.058 10.742 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.076 10.743 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.596 10.753 8.462 1.00 0.00 H new ATOM 1723 N SER A 107 -9.304 8.454 13.726 1.00 0.00 N ATOM 1724 CA SER A 107 -10.552 8.392 14.478 1.00 0.00 C ATOM 1725 C SER A 107 -10.513 9.337 15.676 1.00 0.00 C ATOM 1726 O SER A 107 -11.290 10.288 15.755 1.00 0.00 O ATOM 1727 CB SER A 107 -10.817 6.962 14.949 1.00 0.00 C ATOM 1728 OG SER A 107 -11.610 6.255 14.011 1.00 0.00 O ATOM 0 H SER A 107 -8.593 7.791 14.034 1.00 0.00 H new ATOM 0 HA SER A 107 -11.361 8.705 13.818 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.870 6.442 15.094 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.321 6.982 15.915 1.00 0.00 H new ATOM 0 HG SER A 107 -11.764 5.343 14.334 1.00 0.00 H new ATOM 1734 N GLY A 108 -9.603 9.067 16.606 1.00 0.00 N ATOM 1735 CA GLY A 108 -9.480 9.900 17.786 1.00 0.00 C ATOM 1736 C GLY A 108 -8.663 11.154 17.529 1.00 0.00 C ATOM 1737 O GLY A 108 -7.769 11.150 16.682 1.00 0.00 O ATOM 0 H GLY A 108 -8.949 8.286 16.563 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.474 10.182 18.133 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.015 9.325 18.586 1.00 0.00 H new ATOM 1741 N PRO A 109 -8.948 12.250 18.252 1.00 0.00 N ATOM 1742 CA PRO A 109 -8.223 13.514 18.086 1.00 0.00 C ATOM 1743 C PRO A 109 -6.793 13.435 18.611 1.00 0.00 C ATOM 1744 O PRO A 109 -6.541 13.664 19.793 1.00 0.00 O ATOM 1745 CB PRO A 109 -9.042 14.505 18.916 1.00 0.00 C ATOM 1746 CG PRO A 109 -9.720 13.668 19.944 1.00 0.00 C ATOM 1747 CD PRO A 109 -9.997 12.344 19.284 1.00 0.00 C ATOM 0 HA PRO A 109 -8.126 13.793 17.037 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.403 15.258 19.377 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.766 15.036 18.298 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.088 13.541 20.823 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.644 14.137 20.281 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.936 11.520 19.995 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.995 12.314 18.846 1.00 0.00 H new ATOM 1755 N SER A 110 -5.860 13.109 17.722 1.00 0.00 N ATOM 1756 CA SER A 110 -4.455 12.999 18.095 1.00 0.00 C ATOM 1757 C SER A 110 -3.766 14.358 18.026 1.00 0.00 C ATOM 1758 O SER A 110 -2.840 14.635 18.790 1.00 0.00 O ATOM 1759 CB SER A 110 -3.738 12.004 17.179 1.00 0.00 C ATOM 1760 OG SER A 110 -2.782 11.246 17.899 1.00 0.00 O ATOM 0 H SER A 110 -6.052 12.917 16.739 1.00 0.00 H new ATOM 0 HA SER A 110 -4.405 12.638 19.122 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.467 11.335 16.722 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.245 12.541 16.368 1.00 0.00 H new ATOM 0 HG SER A 110 -2.339 10.617 17.292 1.00 0.00 H new ATOM 1766 N SER A 111 -4.223 15.201 17.107 1.00 0.00 N ATOM 1767 CA SER A 111 -3.650 16.532 16.939 1.00 0.00 C ATOM 1768 C SER A 111 -4.709 17.525 16.469 1.00 0.00 C ATOM 1769 O SER A 111 -5.796 17.133 16.045 1.00 0.00 O ATOM 1770 CB SER A 111 -2.494 16.490 15.938 1.00 0.00 C ATOM 1771 OG SER A 111 -2.941 16.072 14.660 1.00 0.00 O ATOM 0 H SER A 111 -4.988 14.987 16.467 1.00 0.00 H new ATOM 0 HA SER A 111 -3.272 16.862 17.907 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.038 17.477 15.862 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.722 15.809 16.297 1.00 0.00 H new ATOM 0 HG SER A 111 -2.184 16.055 14.038 1.00 0.00 H new ATOM 1777 N GLY A 112 -4.383 18.811 16.548 1.00 0.00 N ATOM 1778 CA GLY A 112 -5.317 19.839 16.128 1.00 0.00 C ATOM 1779 C GLY A 112 -4.676 20.866 15.215 1.00 0.00 C ATOM 1780 O GLY A 112 -3.635 20.548 14.603 1.00 0.00 O ATOM 1781 OXT GLY A 112 -5.216 21.987 15.111 1.00 0.00 O ATOM 0 H GLY A 112 -3.489 19.159 16.895 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.157 19.374 15.613 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.720 20.341 17.008 1.00 0.00 H new TER 1785 GLY A 112