USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 686 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 102 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 6 SER OG : rot 43:sc= 0.562 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -85:sc= 0.48 USER MOD Single : A 24 SER OG : rot 35:sc= 0.502 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 29 SER OG : rot 45:sc= 0.278 USER MOD Single : A 33 THR OG1 : rot -49:sc= 0.283 USER MOD Single : A 36 GLN : amide:sc= 0.148 X(o=0.15,f=0.079) USER MOD Single : A 48 ASN : amide:sc= -0.4 K(o=-0.4,f=-4.4!) USER MOD Single : A 53 HIS : no HE2:sc= 0.0199 X(o=0.02,f=-0.21) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 64 THR OG1 : rot -170:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 35:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -16.354 10.882 -1.391 1.00 0.00 N ATOM 25 CA ALA A 3 -15.360 10.795 -2.529 1.00 0.00 C ATOM 26 C ALA A 3 -15.635 9.507 -3.321 1.00 0.00 C ATOM 27 O ALA A 3 -15.571 8.429 -2.746 1.00 0.00 O ATOM 28 CB ALA A 3 -13.920 10.715 -1.963 1.00 0.00 C ATOM 0 HA ALA A 3 -15.459 11.675 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.208 10.653 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.712 11.606 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.825 9.830 -1.334 1.00 0.00 H new ATOM 34 N ALA A 4 -15.918 9.662 -4.622 1.00 0.00 N ATOM 35 CA ALA A 4 -16.214 8.491 -5.526 1.00 0.00 C ATOM 36 C ALA A 4 -14.935 7.785 -5.989 1.00 0.00 C ATOM 37 O ALA A 4 -14.031 8.452 -6.470 1.00 0.00 O ATOM 38 CB ALA A 4 -16.912 9.032 -6.783 1.00 0.00 C ATOM 0 H ALA A 4 -15.953 10.568 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.827 7.781 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.139 8.206 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.837 9.533 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.256 9.742 -7.287 1.00 0.00 H new ATOM 44 N VAL A 5 -14.902 6.456 -5.772 1.00 0.00 N ATOM 45 CA VAL A 5 -13.754 5.530 -6.144 1.00 0.00 C ATOM 46 C VAL A 5 -14.498 4.372 -6.835 1.00 0.00 C ATOM 47 O VAL A 5 -15.589 4.021 -6.406 1.00 0.00 O ATOM 48 CB VAL A 5 -12.938 4.958 -4.857 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.507 4.345 -5.260 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.773 6.062 -3.728 1.00 0.00 C ATOM 0 H VAL A 5 -15.675 5.962 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.999 6.037 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.540 4.144 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.004 3.977 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.648 3.522 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.898 5.119 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.223 5.642 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.225 6.914 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.757 6.389 -3.392 1.00 0.00 H new ATOM 60 N SER A 6 -13.920 3.885 -7.928 1.00 0.00 N ATOM 61 CA SER A 6 -14.519 2.744 -8.732 1.00 0.00 C ATOM 62 C SER A 6 -13.471 2.142 -9.677 1.00 0.00 C ATOM 63 O SER A 6 -12.623 2.869 -10.168 1.00 0.00 O ATOM 64 CB SER A 6 -15.681 3.275 -9.616 1.00 0.00 C ATOM 65 OG SER A 6 -16.853 3.068 -8.842 1.00 0.00 O ATOM 0 H SER A 6 -13.040 4.239 -8.303 1.00 0.00 H new ATOM 0 HA SER A 6 -14.873 1.991 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.546 4.330 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.733 2.739 -10.563 1.00 0.00 H new ATOM 0 HG SER A 6 -16.682 3.329 -7.913 1.00 0.00 H new ATOM 71 N VAL A 7 -13.574 0.811 -9.851 1.00 0.00 N ATOM 72 CA VAL A 7 -12.670 -0.034 -10.737 1.00 0.00 C ATOM 73 C VAL A 7 -13.689 -0.784 -11.614 1.00 0.00 C ATOM 74 O VAL A 7 -14.797 -1.009 -11.147 1.00 0.00 O ATOM 75 CB VAL A 7 -11.803 -1.102 -9.879 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.514 -1.638 -10.678 1.00 0.00 C ATOM 77 CG2 VAL A 7 -11.383 -0.536 -8.443 1.00 0.00 C ATOM 0 H VAL A 7 -14.292 0.258 -9.383 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.941 0.563 -11.285 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.466 -1.953 -9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.971 -2.350 -10.056 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.834 -2.129 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.863 -0.799 -10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.804 -1.290 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.779 0.363 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.279 -0.294 -7.871 1.00 0.00 H new ATOM 87 N SER A 8 -13.314 -1.071 -12.867 1.00 0.00 N ATOM 88 CA SER A 8 -14.220 -1.808 -13.847 1.00 0.00 C ATOM 89 C SER A 8 -13.345 -2.486 -15.003 1.00 0.00 C ATOM 90 O SER A 8 -12.766 -1.704 -15.752 1.00 0.00 O ATOM 91 CB SER A 8 -15.148 -0.730 -14.487 1.00 0.00 C ATOM 92 OG SER A 8 -15.603 -1.307 -15.705 1.00 0.00 O ATOM 0 H SER A 8 -12.404 -0.820 -13.253 1.00 0.00 H new ATOM 0 HA SER A 8 -14.787 -2.588 -13.338 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.983 -0.488 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.606 0.198 -14.669 1.00 0.00 H new ATOM 0 HG SER A 8 -16.198 -0.677 -16.163 1.00 0.00 H new ATOM 98 N PRO A 9 -13.125 -3.887 -15.141 1.00 0.00 N ATOM 99 CA PRO A 9 -13.559 -5.052 -14.237 1.00 0.00 C ATOM 100 C PRO A 9 -12.929 -4.984 -12.827 1.00 0.00 C ATOM 101 O PRO A 9 -11.990 -4.246 -12.648 1.00 0.00 O ATOM 102 CB PRO A 9 -13.034 -6.320 -14.940 1.00 0.00 C ATOM 103 CG PRO A 9 -12.459 -5.919 -16.304 1.00 0.00 C ATOM 104 CD PRO A 9 -12.396 -4.394 -16.362 1.00 0.00 C ATOM 0 HA PRO A 9 -14.640 -5.031 -14.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.267 -6.800 -14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.839 -7.044 -15.067 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.465 -6.346 -16.439 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.084 -6.305 -17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.362 -4.049 -16.368 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.862 -4.021 -17.274 1.00 0.00 H new ATOM 112 N ALA A 10 -13.513 -5.734 -11.867 1.00 0.00 N ATOM 113 CA ALA A 10 -13.016 -5.782 -10.415 1.00 0.00 C ATOM 114 C ALA A 10 -13.058 -7.193 -9.818 1.00 0.00 C ATOM 115 O ALA A 10 -12.555 -7.366 -8.718 1.00 0.00 O ATOM 116 CB ALA A 10 -13.950 -4.909 -9.544 1.00 0.00 C ATOM 0 H ALA A 10 -14.328 -6.323 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.984 -5.431 -10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.610 -4.933 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.932 -3.882 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.967 -5.296 -9.601 1.00 0.00 H new ATOM 122 N THR A 11 -13.674 -8.139 -10.547 1.00 0.00 N ATOM 123 CA THR A 11 -13.810 -9.593 -10.107 1.00 0.00 C ATOM 124 C THR A 11 -13.512 -10.497 -11.310 1.00 0.00 C ATOM 125 O THR A 11 -13.651 -10.067 -12.444 1.00 0.00 O ATOM 126 CB THR A 11 -15.285 -9.900 -9.659 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.071 -9.643 -10.805 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.886 -8.935 -8.594 1.00 0.00 C ATOM 0 H THR A 11 -14.098 -7.949 -11.455 1.00 0.00 H new ATOM 0 HA THR A 11 -13.122 -9.770 -9.280 1.00 0.00 H new ATOM 0 HB THR A 11 -15.281 -10.907 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.014 -9.816 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.906 -9.241 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.280 -8.970 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.893 -7.918 -8.987 1.00 0.00 H new ATOM 136 N GLY A 12 -13.071 -11.717 -11.005 1.00 0.00 N ATOM 137 CA GLY A 12 -12.728 -12.747 -12.056 1.00 0.00 C ATOM 138 C GLY A 12 -11.416 -12.415 -12.777 1.00 0.00 C ATOM 139 O GLY A 12 -11.250 -12.794 -13.926 1.00 0.00 O ATOM 0 H GLY A 12 -12.934 -12.042 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.647 -13.729 -11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.537 -12.806 -12.784 1.00 0.00 H new ATOM 143 N LEU A 13 -10.519 -11.756 -12.045 1.00 0.00 N ATOM 144 CA LEU A 13 -9.168 -11.342 -12.584 1.00 0.00 C ATOM 145 C LEU A 13 -8.247 -12.576 -12.661 1.00 0.00 C ATOM 146 O LEU A 13 -8.460 -13.528 -11.923 1.00 0.00 O ATOM 147 CB LEU A 13 -8.516 -10.294 -11.592 1.00 0.00 C ATOM 148 CG LEU A 13 -9.418 -8.988 -11.147 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.533 -7.954 -10.300 1.00 0.00 C ATOM 150 CD2 LEU A 13 -10.133 -8.238 -12.363 1.00 0.00 C ATOM 0 H LEU A 13 -10.677 -11.485 -11.075 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.291 -10.904 -13.575 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.228 -10.826 -10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.598 -9.926 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.222 -9.385 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.146 -7.099 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.158 -8.446 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.693 -7.613 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.705 -7.392 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.379 -7.880 -13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.804 -8.929 -12.873 1.00 0.00 H new ATOM 162 N ALA A 14 -7.268 -12.492 -13.585 1.00 0.00 N ATOM 163 CA ALA A 14 -6.232 -13.575 -13.859 1.00 0.00 C ATOM 164 C ALA A 14 -4.818 -12.969 -13.811 1.00 0.00 C ATOM 165 O ALA A 14 -4.679 -11.811 -13.458 1.00 0.00 O ATOM 166 CB ALA A 14 -6.524 -14.110 -15.282 1.00 0.00 C ATOM 0 H ALA A 14 -7.151 -11.673 -14.181 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.285 -14.371 -13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.807 -14.892 -15.531 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.534 -14.519 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.437 -13.296 -16.002 1.00 0.00 H new ATOM 172 N ASP A 15 -3.817 -13.793 -14.130 1.00 0.00 N ATOM 173 CA ASP A 15 -2.370 -13.360 -14.135 1.00 0.00 C ATOM 174 C ASP A 15 -2.069 -12.312 -15.232 1.00 0.00 C ATOM 175 O ASP A 15 -2.410 -12.528 -16.386 1.00 0.00 O ATOM 176 CB ASP A 15 -1.531 -14.625 -14.429 1.00 0.00 C ATOM 177 CG ASP A 15 -0.098 -14.246 -14.831 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.596 -13.734 -13.966 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.227 -14.506 -15.980 1.00 0.00 O ATOM 0 H ASP A 15 -3.956 -14.769 -14.392 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.133 -12.902 -13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.509 -15.266 -13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.998 -15.199 -15.229 1.00 0.00 H new ATOM 184 N GLY A 16 -1.460 -11.193 -14.816 1.00 0.00 N ATOM 185 CA GLY A 16 -1.089 -10.064 -15.756 1.00 0.00 C ATOM 186 C GLY A 16 -2.314 -9.304 -16.297 1.00 0.00 C ATOM 187 O GLY A 16 -2.239 -8.755 -17.386 1.00 0.00 O ATOM 0 H GLY A 16 -1.204 -11.022 -13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.436 -9.364 -15.235 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.520 -10.468 -16.593 1.00 0.00 H new ATOM 191 N ALA A 17 -3.384 -9.279 -15.502 1.00 0.00 N ATOM 192 CA ALA A 17 -4.659 -8.574 -15.894 1.00 0.00 C ATOM 193 C ALA A 17 -4.523 -7.044 -15.854 1.00 0.00 C ATOM 194 O ALA A 17 -4.138 -6.507 -14.824 1.00 0.00 O ATOM 195 CB ALA A 17 -5.747 -8.955 -14.880 1.00 0.00 C ATOM 0 H ALA A 17 -3.419 -9.727 -14.586 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.901 -8.876 -16.913 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.680 -8.457 -15.143 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.896 -10.035 -14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.439 -8.645 -13.882 1.00 0.00 H new ATOM 201 N THR A 18 -4.883 -6.408 -16.976 1.00 0.00 N ATOM 202 CA THR A 18 -4.827 -4.912 -17.141 1.00 0.00 C ATOM 203 C THR A 18 -6.192 -4.399 -16.662 1.00 0.00 C ATOM 204 O THR A 18 -7.203 -4.980 -17.045 1.00 0.00 O ATOM 205 CB THR A 18 -4.600 -4.635 -18.673 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.549 -5.515 -19.021 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.002 -3.234 -19.028 1.00 0.00 C ATOM 0 H THR A 18 -5.223 -6.896 -17.805 1.00 0.00 H new ATOM 0 HA THR A 18 -4.032 -4.421 -16.580 1.00 0.00 H new ATOM 0 HB THR A 18 -5.567 -4.731 -19.167 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.338 -5.412 -19.972 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.887 -3.151 -20.109 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.673 -2.452 -18.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.029 -3.122 -18.550 1.00 0.00 H new ATOM 215 N VAL A 19 -6.168 -3.392 -15.772 1.00 0.00 N ATOM 216 CA VAL A 19 -7.428 -2.762 -15.188 1.00 0.00 C ATOM 217 C VAL A 19 -7.328 -1.217 -15.225 1.00 0.00 C ATOM 218 O VAL A 19 -6.234 -0.686 -15.113 1.00 0.00 O ATOM 219 CB VAL A 19 -7.668 -3.288 -13.678 1.00 0.00 C ATOM 220 CG1 VAL A 19 -8.461 -4.677 -13.657 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.324 -3.382 -12.806 1.00 0.00 C ATOM 0 H VAL A 19 -5.304 -2.977 -15.423 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.283 -3.060 -15.795 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.287 -2.528 -13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.604 -4.999 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.432 -4.549 -14.135 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.888 -5.431 -14.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.564 -3.742 -11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.628 -4.072 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.866 -2.395 -12.736 1.00 0.00 H new ATOM 231 N THR A 20 -8.503 -0.580 -15.389 1.00 0.00 N ATOM 232 CA THR A 20 -8.665 0.924 -15.461 1.00 0.00 C ATOM 233 C THR A 20 -9.216 1.455 -14.114 1.00 0.00 C ATOM 234 O THR A 20 -10.418 1.428 -13.889 1.00 0.00 O ATOM 235 CB THR A 20 -9.680 1.165 -16.642 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.922 0.866 -17.798 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.140 2.644 -16.913 1.00 0.00 C ATOM 0 H THR A 20 -9.387 -1.080 -15.478 1.00 0.00 H new ATOM 0 HA THR A 20 -7.725 1.448 -15.637 1.00 0.00 H new ATOM 0 HB THR A 20 -10.572 0.586 -16.401 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.479 0.988 -18.595 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.836 2.661 -17.752 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.632 3.040 -16.025 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.271 3.258 -17.151 1.00 0.00 H new ATOM 245 N VAL A 21 -8.294 1.933 -13.270 1.00 0.00 N ATOM 246 CA VAL A 21 -8.644 2.498 -11.904 1.00 0.00 C ATOM 247 C VAL A 21 -9.137 3.929 -12.204 1.00 0.00 C ATOM 248 O VAL A 21 -8.659 4.523 -13.160 1.00 0.00 O ATOM 249 CB VAL A 21 -7.295 2.476 -10.998 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.345 3.444 -9.708 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.935 0.980 -10.562 1.00 0.00 C ATOM 0 H VAL A 21 -7.296 1.952 -13.481 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.404 1.942 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.507 2.875 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.406 3.368 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.494 4.474 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.169 3.144 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.029 0.986 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.757 0.562 -9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.773 0.371 -11.451 1.00 0.00 H new ATOM 261 N SER A 22 -10.078 4.405 -11.375 1.00 0.00 N ATOM 262 CA SER A 22 -10.694 5.789 -11.500 1.00 0.00 C ATOM 263 C SER A 22 -10.738 6.479 -10.138 1.00 0.00 C ATOM 264 O SER A 22 -10.574 5.831 -9.116 1.00 0.00 O ATOM 265 CB SER A 22 -12.140 5.631 -12.014 1.00 0.00 C ATOM 266 OG SER A 22 -12.953 5.717 -10.852 1.00 0.00 O ATOM 0 H SER A 22 -10.451 3.865 -10.594 1.00 0.00 H new ATOM 0 HA SER A 22 -10.095 6.389 -12.185 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.392 6.412 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.277 4.676 -12.522 1.00 0.00 H new ATOM 0 HG SER A 22 -13.015 4.835 -10.430 1.00 0.00 H new ATOM 272 N ALA A 23 -10.892 7.798 -10.200 1.00 0.00 N ATOM 273 CA ALA A 23 -10.966 8.682 -8.986 1.00 0.00 C ATOM 274 C ALA A 23 -11.623 9.997 -9.398 1.00 0.00 C ATOM 275 O ALA A 23 -11.358 10.464 -10.494 1.00 0.00 O ATOM 276 CB ALA A 23 -9.536 8.977 -8.494 1.00 0.00 C ATOM 0 H ALA A 23 -10.971 8.307 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.537 8.197 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.579 9.618 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.039 8.041 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.977 9.481 -9.282 1.00 0.00 H new ATOM 282 N SER A 24 -12.493 10.523 -8.526 1.00 0.00 N ATOM 283 CA SER A 24 -13.222 11.819 -8.790 1.00 0.00 C ATOM 284 C SER A 24 -13.715 12.405 -7.467 1.00 0.00 C ATOM 285 O SER A 24 -14.120 11.650 -6.599 1.00 0.00 O ATOM 286 CB SER A 24 -14.455 11.535 -9.667 1.00 0.00 C ATOM 287 OG SER A 24 -13.985 11.681 -10.999 1.00 0.00 O ATOM 0 H SER A 24 -12.724 10.092 -7.631 1.00 0.00 H new ATOM 0 HA SER A 24 -12.546 12.515 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.845 10.532 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.264 12.233 -9.453 1.00 0.00 H new ATOM 0 HG SER A 24 -13.058 11.367 -11.055 1.00 0.00 H new ATOM 293 N GLY A 25 -13.659 13.736 -7.366 1.00 0.00 N ATOM 294 CA GLY A 25 -14.106 14.478 -6.127 1.00 0.00 C ATOM 295 C GLY A 25 -13.146 14.234 -4.948 1.00 0.00 C ATOM 296 O GLY A 25 -13.273 13.226 -4.280 1.00 0.00 O ATOM 0 H GLY A 25 -13.314 14.342 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.159 15.546 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.111 14.158 -5.852 1.00 0.00 H new ATOM 300 N PHE A 26 -12.226 15.179 -4.752 1.00 0.00 N ATOM 301 CA PHE A 26 -11.197 15.117 -3.645 1.00 0.00 C ATOM 302 C PHE A 26 -10.773 16.553 -3.308 1.00 0.00 C ATOM 303 O PHE A 26 -10.899 17.426 -4.152 1.00 0.00 O ATOM 304 CB PHE A 26 -9.956 14.320 -4.172 1.00 0.00 C ATOM 305 CG PHE A 26 -10.045 12.755 -3.844 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.671 12.247 -2.569 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.420 11.793 -4.824 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.666 10.892 -2.319 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.401 10.444 -4.531 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.028 9.998 -3.290 1.00 0.00 C ATOM 0 H PHE A 26 -12.150 16.012 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.602 14.629 -2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.872 14.457 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.050 14.730 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.387 12.934 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.723 12.122 -5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.373 10.531 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.684 9.730 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.020 8.939 -3.078 1.00 0.00 H new ATOM 320 N ALA A 27 -10.338 16.745 -2.057 1.00 0.00 N ATOM 321 CA ALA A 27 -9.879 18.092 -1.536 1.00 0.00 C ATOM 322 C ALA A 27 -8.956 17.930 -0.308 1.00 0.00 C ATOM 323 O ALA A 27 -8.173 18.832 -0.028 1.00 0.00 O ATOM 324 CB ALA A 27 -11.140 18.896 -1.132 1.00 0.00 C ATOM 0 H ALA A 27 -10.284 15.998 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.313 18.609 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.842 19.873 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.783 19.026 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.683 18.355 -0.357 1.00 0.00 H new ATOM 330 N THR A 28 -8.986 16.742 0.307 1.00 0.00 N ATOM 331 CA THR A 28 -8.136 16.443 1.528 1.00 0.00 C ATOM 332 C THR A 28 -6.696 16.121 1.083 1.00 0.00 C ATOM 333 O THR A 28 -5.792 16.840 1.480 1.00 0.00 O ATOM 334 CB THR A 28 -8.726 15.193 2.274 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.218 14.320 1.272 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.991 15.484 3.139 1.00 0.00 C ATOM 0 H THR A 28 -9.572 15.964 0.006 1.00 0.00 H new ATOM 0 HA THR A 28 -8.134 17.308 2.191 1.00 0.00 H new ATOM 0 HB THR A 28 -7.927 14.819 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.597 13.520 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.326 14.562 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.747 16.220 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.786 15.873 2.502 1.00 0.00 H new ATOM 344 N SER A 29 -6.534 15.074 0.264 1.00 0.00 N ATOM 345 CA SER A 29 -5.171 14.651 -0.251 1.00 0.00 C ATOM 346 C SER A 29 -4.658 15.675 -1.294 1.00 0.00 C ATOM 347 O SER A 29 -5.286 15.848 -2.328 1.00 0.00 O ATOM 348 CB SER A 29 -5.312 13.275 -0.929 1.00 0.00 C ATOM 349 OG SER A 29 -6.550 13.312 -1.622 1.00 0.00 O ATOM 0 H SER A 29 -7.304 14.493 -0.069 1.00 0.00 H new ATOM 0 HA SER A 29 -4.465 14.601 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.485 13.090 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.300 12.472 -0.192 1.00 0.00 H new ATOM 0 HG SER A 29 -6.628 14.160 -2.108 1.00 0.00 H new ATOM 355 N THR A 30 -3.511 16.298 -0.990 1.00 0.00 N ATOM 356 CA THR A 30 -2.861 17.340 -1.896 1.00 0.00 C ATOM 357 C THR A 30 -2.071 16.705 -3.062 1.00 0.00 C ATOM 358 O THR A 30 -1.716 17.398 -4.004 1.00 0.00 O ATOM 359 CB THR A 30 -1.834 18.169 -1.049 1.00 0.00 C ATOM 360 OG1 THR A 30 -0.804 17.252 -0.738 1.00 0.00 O ATOM 361 CG2 THR A 30 -2.334 18.639 0.355 1.00 0.00 C ATOM 0 H THR A 30 -2.990 16.120 -0.131 1.00 0.00 H new ATOM 0 HA THR A 30 -3.663 17.953 -2.307 1.00 0.00 H new ATOM 0 HB THR A 30 -1.585 19.055 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.116 17.702 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.545 19.202 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.212 19.273 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.595 17.769 0.958 1.00 0.00 H new ATOM 369 N SER A 31 -1.840 15.402 -2.965 1.00 0.00 N ATOM 370 CA SER A 31 -1.084 14.606 -4.004 1.00 0.00 C ATOM 371 C SER A 31 -1.286 13.125 -3.709 1.00 0.00 C ATOM 372 O SER A 31 -1.471 12.783 -2.556 1.00 0.00 O ATOM 373 CB SER A 31 0.436 14.921 -3.926 1.00 0.00 C ATOM 374 OG SER A 31 0.697 15.108 -2.541 1.00 0.00 O ATOM 0 H SER A 31 -2.159 14.840 -2.176 1.00 0.00 H new ATOM 0 HA SER A 31 -1.452 14.865 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.031 14.104 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.685 15.814 -4.500 1.00 0.00 H new ATOM 0 HG SER A 31 1.647 15.311 -2.412 1.00 0.00 H new ATOM 380 N ALA A 32 -1.286 12.305 -4.782 1.00 0.00 N ATOM 381 CA ALA A 32 -1.475 10.800 -4.692 1.00 0.00 C ATOM 382 C ALA A 32 -0.565 10.087 -5.691 1.00 0.00 C ATOM 383 O ALA A 32 0.017 10.721 -6.551 1.00 0.00 O ATOM 384 CB ALA A 32 -2.938 10.465 -5.087 1.00 0.00 C ATOM 0 H ALA A 32 -1.158 12.641 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.241 10.477 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.093 9.388 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.623 10.968 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.126 10.804 -6.106 1.00 0.00 H new ATOM 390 N THR A 33 -0.450 8.783 -5.468 1.00 0.00 N ATOM 391 CA THR A 33 0.368 7.820 -6.284 1.00 0.00 C ATOM 392 C THR A 33 -0.273 6.454 -5.949 1.00 0.00 C ATOM 393 O THR A 33 -0.144 5.978 -4.834 1.00 0.00 O ATOM 394 CB THR A 33 1.875 7.876 -5.836 1.00 0.00 C ATOM 395 OG1 THR A 33 2.401 9.068 -6.390 1.00 0.00 O ATOM 396 CG2 THR A 33 2.823 6.801 -6.460 1.00 0.00 C ATOM 0 H THR A 33 -0.931 8.326 -4.693 1.00 0.00 H new ATOM 0 HA THR A 33 0.369 8.033 -7.353 1.00 0.00 H new ATOM 0 HB THR A 33 1.855 7.756 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.164 9.120 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.834 6.941 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.468 5.805 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.829 6.907 -7.545 1.00 0.00 H new ATOM 404 N ALA A 34 -0.982 5.906 -6.914 1.00 0.00 N ATOM 405 CA ALA A 34 -1.682 4.574 -6.750 1.00 0.00 C ATOM 406 C ALA A 34 -0.713 3.374 -6.708 1.00 0.00 C ATOM 407 O ALA A 34 0.177 3.300 -7.539 1.00 0.00 O ATOM 408 CB ALA A 34 -2.574 4.387 -7.986 1.00 0.00 C ATOM 0 H ALA A 34 -1.110 6.333 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.225 4.595 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.102 3.436 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.298 5.200 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.957 4.392 -8.884 1.00 0.00 H new ATOM 414 N LEU A 35 -0.901 2.500 -5.700 1.00 0.00 N ATOM 415 CA LEU A 35 -0.043 1.255 -5.512 1.00 0.00 C ATOM 416 C LEU A 35 -0.746 0.231 -4.589 1.00 0.00 C ATOM 417 O LEU A 35 -1.442 0.626 -3.670 1.00 0.00 O ATOM 418 CB LEU A 35 1.451 1.538 -5.007 1.00 0.00 C ATOM 419 CG LEU A 35 1.743 2.775 -3.985 1.00 0.00 C ATOM 420 CD1 LEU A 35 0.814 2.797 -2.681 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.296 2.815 -3.563 1.00 0.00 C ATOM 0 H LEU A 35 -1.628 2.609 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 35 0.065 0.834 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.809 0.628 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.068 1.695 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 35 1.487 3.673 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.079 3.653 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.231 2.875 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.961 1.878 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.466 3.648 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.563 1.881 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.912 2.943 -4.453 1.00 0.00 H new ATOM 433 N GLN A 36 -0.553 -1.058 -4.921 1.00 0.00 N ATOM 434 CA GLN A 36 -1.134 -2.237 -4.174 1.00 0.00 C ATOM 435 C GLN A 36 -0.038 -2.744 -3.226 1.00 0.00 C ATOM 436 O GLN A 36 1.128 -2.596 -3.557 1.00 0.00 O ATOM 437 CB GLN A 36 -1.432 -3.292 -5.296 1.00 0.00 C ATOM 438 CG GLN A 36 -2.056 -4.653 -4.845 1.00 0.00 C ATOM 439 CD GLN A 36 -0.981 -5.737 -4.950 1.00 0.00 C ATOM 440 OE1 GLN A 36 -0.137 -5.878 -4.090 1.00 0.00 O ATOM 441 NE2 GLN A 36 -0.979 -6.526 -5.987 1.00 0.00 N ATOM 0 H GLN A 36 0.014 -1.336 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.028 -2.017 -3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.106 -2.834 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.499 -3.504 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.423 -4.581 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.911 -4.905 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.685 -6.414 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.271 -7.256 -6.071 1.00 0.00 H new ATOM 450 N CYS A 37 -0.458 -3.273 -2.060 1.00 0.00 N ATOM 451 CA CYS A 37 0.489 -3.829 -0.999 1.00 0.00 C ATOM 452 C CYS A 37 -0.131 -5.089 -0.366 1.00 0.00 C ATOM 453 O CYS A 37 -1.342 -5.140 -0.192 1.00 0.00 O ATOM 454 CB CYS A 37 0.726 -2.777 0.127 1.00 0.00 C ATOM 455 SG CYS A 37 1.396 -1.144 -0.315 1.00 0.00 S ATOM 0 H CYS A 37 -1.443 -3.340 -1.803 1.00 0.00 H new ATOM 0 HA CYS A 37 1.439 -4.070 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.226 -2.616 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.402 -3.223 0.857 1.00 0.00 H new ATOM 460 N ALA A 38 0.748 -6.055 -0.033 1.00 0.00 N ATOM 461 CA ALA A 38 0.356 -7.378 0.599 1.00 0.00 C ATOM 462 C ALA A 38 0.483 -7.339 2.134 1.00 0.00 C ATOM 463 O ALA A 38 1.572 -7.117 2.636 1.00 0.00 O ATOM 464 CB ALA A 38 1.342 -8.444 0.061 1.00 0.00 C ATOM 0 H ALA A 38 1.752 -5.963 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.682 -7.600 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.097 -9.416 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.264 -8.497 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.360 -8.171 0.338 1.00 0.00 H new ATOM 470 N ILE A 39 -0.648 -7.543 2.822 1.00 0.00 N ATOM 471 CA ILE A 39 -0.706 -7.543 4.336 1.00 0.00 C ATOM 472 C ILE A 39 -0.186 -8.952 4.723 1.00 0.00 C ATOM 473 O ILE A 39 -0.474 -9.901 4.015 1.00 0.00 O ATOM 474 CB ILE A 39 -2.235 -7.304 4.823 1.00 0.00 C ATOM 475 CG1 ILE A 39 -3.051 -6.180 3.982 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.368 -7.041 6.422 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.333 -4.809 3.692 1.00 0.00 C ATOM 0 H ILE A 39 -1.550 -7.713 2.377 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.116 -6.754 4.802 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.717 -8.256 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.333 -6.618 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.975 -5.966 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.416 -6.889 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.982 -7.903 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.795 -6.154 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.000 -4.162 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.076 -4.326 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.424 -4.989 3.117 1.00 0.00 H new ATOM 489 N LEU A 40 0.629 -8.989 5.788 1.00 0.00 N ATOM 490 CA LEU A 40 1.262 -10.264 6.351 1.00 0.00 C ATOM 491 C LEU A 40 0.891 -10.309 7.852 1.00 0.00 C ATOM 492 O LEU A 40 0.148 -9.451 8.292 1.00 0.00 O ATOM 493 CB LEU A 40 2.862 -10.258 6.202 1.00 0.00 C ATOM 494 CG LEU A 40 3.501 -9.797 4.769 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.031 -9.357 4.939 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.357 -10.917 3.632 1.00 0.00 C ATOM 0 H LEU A 40 0.889 -8.151 6.308 1.00 0.00 H new ATOM 0 HA LEU A 40 0.894 -11.132 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.266 -9.603 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.221 -11.264 6.419 1.00 0.00 H new ATOM 0 HG LEU A 40 2.922 -8.936 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.432 -9.055 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.094 -8.521 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.610 -10.195 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.799 -10.553 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.872 -11.824 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.302 -11.136 3.469 1.00 0.00 H new ATOM 508 N ALA A 41 1.392 -11.320 8.573 1.00 0.00 N ATOM 509 CA ALA A 41 1.111 -11.491 10.051 1.00 0.00 C ATOM 510 C ALA A 41 1.674 -10.334 10.887 1.00 0.00 C ATOM 511 O ALA A 41 0.987 -9.831 11.763 1.00 0.00 O ATOM 512 CB ALA A 41 1.792 -12.788 10.511 1.00 0.00 C ATOM 0 H ALA A 41 1.995 -12.043 8.181 1.00 0.00 H new ATOM 0 HA ALA A 41 0.031 -11.515 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.607 -12.939 11.575 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.388 -13.630 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.866 -12.717 10.336 1.00 0.00 H new ATOM 518 N ASP A 42 2.893 -9.926 10.531 1.00 0.00 N ATOM 519 CA ASP A 42 3.623 -8.796 11.230 1.00 0.00 C ATOM 520 C ASP A 42 3.063 -7.408 10.794 1.00 0.00 C ATOM 521 O ASP A 42 3.267 -6.419 11.483 1.00 0.00 O ATOM 522 CB ASP A 42 5.143 -8.924 10.919 1.00 0.00 C ATOM 523 CG ASP A 42 5.413 -9.257 9.443 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.281 -8.356 8.642 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.739 -10.408 9.205 1.00 0.00 O ATOM 0 H ASP A 42 3.421 -10.344 9.765 1.00 0.00 H new ATOM 0 HA ASP A 42 3.468 -8.868 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.643 -7.990 11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.576 -9.701 11.549 1.00 0.00 H new ATOM 530 N GLY A 43 2.369 -7.390 9.650 1.00 0.00 N ATOM 531 CA GLY A 43 1.750 -6.135 9.081 1.00 0.00 C ATOM 532 C GLY A 43 2.733 -5.099 8.505 1.00 0.00 C ATOM 533 O GLY A 43 2.345 -3.941 8.424 1.00 0.00 O ATOM 0 H GLY A 43 2.208 -8.221 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.053 -6.422 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.165 -5.655 9.865 1.00 0.00 H new ATOM 537 N ARG A 44 3.947 -5.528 8.118 1.00 0.00 N ATOM 538 CA ARG A 44 4.985 -4.573 7.528 1.00 0.00 C ATOM 539 C ARG A 44 4.536 -4.221 6.099 1.00 0.00 C ATOM 540 O ARG A 44 4.005 -5.082 5.418 1.00 0.00 O ATOM 541 CB ARG A 44 6.396 -5.259 7.415 1.00 0.00 C ATOM 542 CG ARG A 44 7.118 -5.424 8.821 1.00 0.00 C ATOM 543 CD ARG A 44 8.346 -6.390 8.797 1.00 0.00 C ATOM 544 NE ARG A 44 9.147 -6.137 10.027 1.00 0.00 N ATOM 545 CZ ARG A 44 10.444 -6.287 9.991 1.00 0.00 C ATOM 546 NH1 ARG A 44 10.937 -7.492 9.920 1.00 0.00 N ATOM 547 NH2 ARG A 44 11.202 -5.226 10.027 1.00 0.00 N ATOM 0 H ARG A 44 4.257 -6.497 8.188 1.00 0.00 H new ATOM 0 HA ARG A 44 5.062 -3.699 8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.282 -6.240 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.030 -4.668 6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.447 -4.444 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.394 -5.791 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.015 -7.428 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.950 -6.219 7.906 1.00 0.00 H new ATOM 0 HE ARG A 44 8.686 -5.849 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.312 -8.298 9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.947 -7.629 9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.780 -4.299 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.217 -5.323 10.000 1.00 0.00 H new ATOM 561 N GLY A 45 4.773 -2.976 5.700 1.00 0.00 N ATOM 562 CA GLY A 45 4.384 -2.476 4.325 1.00 0.00 C ATOM 563 C GLY A 45 5.244 -3.052 3.188 1.00 0.00 C ATOM 564 O GLY A 45 6.210 -2.411 2.803 1.00 0.00 O ATOM 0 H GLY A 45 5.229 -2.274 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.339 -2.726 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.459 -1.389 4.310 1.00 0.00 H new ATOM 568 N ALA A 46 4.819 -4.219 2.671 1.00 0.00 N ATOM 569 CA ALA A 46 5.526 -4.946 1.543 1.00 0.00 C ATOM 570 C ALA A 46 4.817 -4.568 0.229 1.00 0.00 C ATOM 571 O ALA A 46 3.809 -5.166 -0.115 1.00 0.00 O ATOM 572 CB ALA A 46 5.427 -6.469 1.835 1.00 0.00 C ATOM 0 H ALA A 46 3.984 -4.701 3.004 1.00 0.00 H new ATOM 0 HA ALA A 46 6.578 -4.675 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.926 -7.025 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.906 -6.688 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.378 -6.764 1.880 1.00 0.00 H new ATOM 578 N CYS A 47 5.354 -3.507 -0.424 1.00 0.00 N ATOM 579 CA CYS A 47 4.808 -2.957 -1.740 1.00 0.00 C ATOM 580 C CYS A 47 5.926 -2.813 -2.777 1.00 0.00 C ATOM 581 O CYS A 47 7.056 -2.518 -2.416 1.00 0.00 O ATOM 582 CB CYS A 47 4.177 -1.554 -1.478 1.00 0.00 C ATOM 583 SG CYS A 47 3.366 -1.248 0.119 1.00 0.00 S ATOM 0 H CYS A 47 6.167 -2.998 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 47 4.060 -3.650 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.964 -0.810 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.443 -1.370 -2.262 1.00 0.00 H new ATOM 588 N ASN A 48 5.543 -3.031 -4.043 1.00 0.00 N ATOM 589 CA ASN A 48 6.493 -2.942 -5.219 1.00 0.00 C ATOM 590 C ASN A 48 6.607 -1.488 -5.739 1.00 0.00 C ATOM 591 O ASN A 48 5.597 -0.869 -6.046 1.00 0.00 O ATOM 592 CB ASN A 48 5.905 -3.845 -6.320 1.00 0.00 C ATOM 593 CG ASN A 48 6.646 -3.628 -7.645 1.00 0.00 C ATOM 594 OD1 ASN A 48 6.136 -3.020 -8.560 1.00 0.00 O ATOM 595 ND2 ASN A 48 7.844 -4.126 -7.793 1.00 0.00 N ATOM 0 H ASN A 48 4.587 -3.272 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 48 7.494 -3.257 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.982 -4.890 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.845 -3.627 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.343 -4.002 -8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.281 -4.639 -7.028 1.00 0.00 H new ATOM 602 N VAL A 49 7.850 -1.012 -5.845 1.00 0.00 N ATOM 603 CA VAL A 49 8.165 0.397 -6.333 1.00 0.00 C ATOM 604 C VAL A 49 7.926 0.618 -7.863 1.00 0.00 C ATOM 605 O VAL A 49 7.662 1.736 -8.260 1.00 0.00 O ATOM 606 CB VAL A 49 9.702 0.762 -5.957 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.829 1.264 -4.444 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.741 -0.427 -6.260 1.00 0.00 C ATOM 0 H VAL A 49 8.678 -1.558 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 49 7.466 1.062 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 49 9.980 1.581 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.870 1.500 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.218 2.156 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.485 0.479 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.747 -0.110 -5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.466 -1.308 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.716 -0.670 -7.322 1.00 0.00 H new ATOM 618 N ALA A 50 7.969 -0.453 -8.653 1.00 0.00 N ATOM 619 CA ALA A 50 7.760 -0.352 -10.168 1.00 0.00 C ATOM 620 C ALA A 50 6.317 -0.046 -10.637 1.00 0.00 C ATOM 621 O ALA A 50 6.164 0.425 -11.755 1.00 0.00 O ATOM 622 CB ALA A 50 8.156 -1.702 -10.801 1.00 0.00 C ATOM 0 H ALA A 50 8.141 -1.400 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 50 8.373 0.493 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.015 -1.653 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.202 -1.914 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.531 -2.494 -10.389 1.00 0.00 H new ATOM 628 N GLU A 51 5.325 -0.255 -9.758 1.00 0.00 N ATOM 629 CA GLU A 51 3.843 -0.006 -10.078 1.00 0.00 C ATOM 630 C GLU A 51 3.394 1.491 -9.942 1.00 0.00 C ATOM 631 O GLU A 51 2.218 1.787 -10.157 1.00 0.00 O ATOM 632 CB GLU A 51 3.010 -0.974 -9.113 1.00 0.00 C ATOM 633 CG GLU A 51 2.815 -2.420 -9.716 1.00 0.00 C ATOM 634 CD GLU A 51 2.441 -3.438 -8.623 1.00 0.00 C ATOM 635 OE1 GLU A 51 1.508 -3.161 -7.888 1.00 0.00 O ATOM 636 OE2 GLU A 51 3.099 -4.465 -8.612 1.00 0.00 O ATOM 0 H GLU A 51 5.485 -0.596 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 51 3.658 -0.226 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.522 -1.051 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.033 -0.532 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.034 -2.397 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.733 -2.736 -10.211 1.00 0.00 H new ATOM 643 N PHE A 52 4.353 2.399 -9.683 1.00 0.00 N ATOM 644 CA PHE A 52 4.052 3.899 -9.533 1.00 0.00 C ATOM 645 C PHE A 52 3.522 4.498 -10.866 1.00 0.00 C ATOM 646 O PHE A 52 3.896 3.994 -11.924 1.00 0.00 O ATOM 647 CB PHE A 52 5.349 4.643 -9.051 1.00 0.00 C ATOM 648 CG PHE A 52 6.311 5.124 -10.235 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.085 4.188 -10.963 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.460 6.497 -10.601 1.00 0.00 C ATOM 651 CE1 PHE A 52 7.936 4.599 -11.967 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.324 6.865 -11.613 1.00 0.00 C ATOM 653 CZ PHE A 52 8.054 5.924 -12.289 1.00 0.00 C ATOM 0 H PHE A 52 5.338 2.160 -9.569 1.00 0.00 H new ATOM 0 HA PHE A 52 3.269 4.034 -8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.057 5.511 -8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.909 3.981 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.008 3.137 -10.728 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.892 7.254 -10.081 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.517 3.866 -12.506 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.425 7.908 -11.875 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.725 6.228 -13.079 1.00 0.00 H new ATOM 663 N HIS A 53 2.614 5.504 -10.769 1.00 0.00 N ATOM 664 CA HIS A 53 2.008 6.175 -12.007 1.00 0.00 C ATOM 665 C HIS A 53 1.561 7.647 -11.789 1.00 0.00 C ATOM 666 O HIS A 53 2.168 8.510 -12.403 1.00 0.00 O ATOM 667 CB HIS A 53 0.740 5.364 -12.438 1.00 0.00 C ATOM 668 CG HIS A 53 1.067 4.208 -13.412 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.269 3.003 -13.043 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.174 4.199 -14.798 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.486 2.279 -14.088 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.440 2.963 -15.216 1.00 0.00 N ATOM 0 H HIS A 53 2.276 5.879 -9.882 1.00 0.00 H new ATOM 0 HA HIS A 53 2.795 6.184 -12.761 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.255 4.958 -11.550 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.026 6.039 -12.910 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.260 2.668 -12.080 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.059 5.062 -15.437 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.686 1.218 -14.044 1.00 0.00 H new ATOM 679 N ASP A 54 0.554 7.896 -10.911 1.00 0.00 N ATOM 680 CA ASP A 54 0.047 9.312 -10.653 1.00 0.00 C ATOM 681 C ASP A 54 1.035 10.252 -9.939 1.00 0.00 C ATOM 682 O ASP A 54 1.991 9.803 -9.330 1.00 0.00 O ATOM 683 CB ASP A 54 -1.318 9.262 -9.906 1.00 0.00 C ATOM 684 CG ASP A 54 -2.368 10.008 -10.741 1.00 0.00 C ATOM 685 OD1 ASP A 54 -2.458 11.210 -10.544 1.00 0.00 O ATOM 686 OD2 ASP A 54 -3.023 9.341 -11.521 1.00 0.00 O ATOM 0 H ASP A 54 0.075 7.173 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.077 9.757 -11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.625 8.228 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.226 9.719 -8.921 1.00 0.00 H new ATOM 691 N PHE A 55 0.736 11.547 -10.121 1.00 0.00 N ATOM 692 CA PHE A 55 1.496 12.724 -9.567 1.00 0.00 C ATOM 693 C PHE A 55 0.418 13.716 -9.054 1.00 0.00 C ATOM 694 O PHE A 55 -0.648 13.233 -8.708 1.00 0.00 O ATOM 695 CB PHE A 55 2.434 13.247 -10.740 1.00 0.00 C ATOM 696 CG PHE A 55 1.672 13.375 -12.148 1.00 0.00 C ATOM 697 CD1 PHE A 55 0.972 14.552 -12.509 1.00 0.00 C ATOM 698 CD2 PHE A 55 1.702 12.336 -13.130 1.00 0.00 C ATOM 699 CE1 PHE A 55 0.366 14.671 -13.743 1.00 0.00 C ATOM 700 CE2 PHE A 55 1.083 12.497 -14.352 1.00 0.00 C ATOM 701 CZ PHE A 55 0.421 13.654 -14.655 1.00 0.00 C ATOM 0 H PHE A 55 -0.069 11.836 -10.677 1.00 0.00 H new ATOM 0 HA PHE A 55 2.158 12.521 -8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.841 14.220 -10.465 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.279 12.567 -10.852 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.911 15.370 -11.807 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.217 11.412 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.160 15.581 -13.992 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.122 11.699 -15.079 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.059 13.765 -15.616 1.00 0.00 H new ATOM 711 N SER A 56 0.730 15.010 -8.923 1.00 0.00 N ATOM 712 CA SER A 56 -0.263 16.051 -8.427 1.00 0.00 C ATOM 713 C SER A 56 -1.604 16.072 -9.201 1.00 0.00 C ATOM 714 O SER A 56 -1.607 15.902 -10.409 1.00 0.00 O ATOM 715 CB SER A 56 0.392 17.437 -8.540 1.00 0.00 C ATOM 716 OG SER A 56 0.786 17.547 -9.897 1.00 0.00 O ATOM 0 H SER A 56 1.650 15.390 -9.145 1.00 0.00 H new ATOM 0 HA SER A 56 -0.506 15.786 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.307 18.227 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.249 17.524 -7.872 1.00 0.00 H new ATOM 0 HG SER A 56 1.214 18.416 -10.044 1.00 0.00 H new ATOM 722 N LEU A 57 -2.687 16.345 -8.457 1.00 0.00 N ATOM 723 CA LEU A 57 -4.086 16.402 -9.042 1.00 0.00 C ATOM 724 C LEU A 57 -4.299 17.764 -9.751 1.00 0.00 C ATOM 725 O LEU A 57 -3.946 18.816 -9.229 1.00 0.00 O ATOM 726 CB LEU A 57 -5.155 16.242 -7.861 1.00 0.00 C ATOM 727 CG LEU A 57 -4.935 15.012 -6.793 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.175 14.892 -5.783 1.00 0.00 C ATOM 729 CD2 LEU A 57 -4.642 13.592 -7.482 1.00 0.00 C ATOM 0 H LEU A 57 -2.649 16.532 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.213 15.597 -9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.175 17.175 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.139 16.121 -8.314 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.036 15.274 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.001 14.070 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.281 15.822 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.088 14.702 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.509 12.834 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.482 13.317 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.736 13.660 -8.084 1.00 0.00 H new ATOM 741 N SER A 58 -4.838 17.664 -10.971 1.00 0.00 N ATOM 742 CA SER A 58 -5.132 18.856 -11.847 1.00 0.00 C ATOM 743 C SER A 58 -6.357 19.634 -11.403 1.00 0.00 C ATOM 744 O SER A 58 -6.411 20.843 -11.579 1.00 0.00 O ATOM 745 CB SER A 58 -5.412 18.317 -13.257 1.00 0.00 C ATOM 746 OG SER A 58 -4.124 18.011 -13.773 1.00 0.00 O ATOM 0 H SER A 58 -5.089 16.772 -11.397 1.00 0.00 H new ATOM 0 HA SER A 58 -4.278 19.532 -11.799 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.050 17.433 -13.227 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.923 19.057 -13.873 1.00 0.00 H new ATOM 0 HG SER A 58 -4.212 17.655 -14.682 1.00 0.00 H new ATOM 752 N GLY A 59 -7.304 18.907 -10.862 1.00 0.00 N ATOM 753 CA GLY A 59 -8.588 19.516 -10.368 1.00 0.00 C ATOM 754 C GLY A 59 -9.453 18.462 -9.680 1.00 0.00 C ATOM 755 O GLY A 59 -10.629 18.346 -9.979 1.00 0.00 O ATOM 0 H GLY A 59 -7.243 17.896 -10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.369 20.325 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.134 19.954 -11.204 1.00 0.00 H new ATOM 759 N GLY A 60 -8.817 17.724 -8.792 1.00 0.00 N ATOM 760 CA GLY A 60 -9.498 16.634 -8.005 1.00 0.00 C ATOM 761 C GLY A 60 -9.847 15.381 -8.830 1.00 0.00 C ATOM 762 O GLY A 60 -10.816 14.730 -8.496 1.00 0.00 O ATOM 0 H GLY A 60 -7.827 17.835 -8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.852 16.342 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.413 17.034 -7.569 1.00 0.00 H new ATOM 766 N GLU A 61 -9.062 15.110 -9.896 1.00 0.00 N ATOM 767 CA GLU A 61 -9.262 13.896 -10.829 1.00 0.00 C ATOM 768 C GLU A 61 -7.872 13.385 -11.237 1.00 0.00 C ATOM 769 O GLU A 61 -6.928 14.163 -11.226 1.00 0.00 O ATOM 770 CB GLU A 61 -9.989 14.285 -12.174 1.00 0.00 C ATOM 771 CG GLU A 61 -11.315 15.069 -12.006 1.00 0.00 C ATOM 772 CD GLU A 61 -12.096 14.991 -13.319 1.00 0.00 C ATOM 773 OE1 GLU A 61 -11.755 15.763 -14.200 1.00 0.00 O ATOM 774 OE2 GLU A 61 -12.991 14.163 -13.368 1.00 0.00 O ATOM 0 H GLU A 61 -8.271 15.697 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.863 13.163 -10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.306 14.883 -12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.194 13.373 -12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.903 14.648 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.110 16.108 -11.748 1.00 0.00 H new ATOM 781 N GLY A 62 -7.782 12.087 -11.573 1.00 0.00 N ATOM 782 CA GLY A 62 -6.459 11.476 -11.993 1.00 0.00 C ATOM 783 C GLY A 62 -6.586 9.979 -12.336 1.00 0.00 C ATOM 784 O GLY A 62 -6.203 9.146 -11.530 1.00 0.00 O ATOM 0 H GLY A 62 -8.569 11.438 -11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.073 12.013 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.733 11.602 -11.190 1.00 0.00 H new ATOM 788 N THR A 63 -7.088 9.705 -13.544 1.00 0.00 N ATOM 789 CA THR A 63 -7.282 8.285 -14.055 1.00 0.00 C ATOM 790 C THR A 63 -5.909 7.701 -14.440 1.00 0.00 C ATOM 791 O THR A 63 -5.015 8.471 -14.763 1.00 0.00 O ATOM 792 CB THR A 63 -8.163 8.394 -15.345 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.117 9.391 -15.037 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.048 7.150 -15.684 1.00 0.00 C ATOM 0 H THR A 63 -7.376 10.424 -14.207 1.00 0.00 H new ATOM 0 HA THR A 63 -7.747 7.649 -13.302 1.00 0.00 H new ATOM 0 HB THR A 63 -7.478 8.555 -16.178 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.713 9.522 -15.804 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.612 7.343 -16.597 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.410 6.278 -15.829 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.740 6.961 -14.863 1.00 0.00 H new ATOM 802 N THR A 64 -5.780 6.358 -14.363 1.00 0.00 N ATOM 803 CA THR A 64 -4.471 5.658 -14.717 1.00 0.00 C ATOM 804 C THR A 64 -4.635 4.128 -14.958 1.00 0.00 C ATOM 805 O THR A 64 -5.406 3.488 -14.263 1.00 0.00 O ATOM 806 CB THR A 64 -3.403 5.895 -13.578 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.525 4.792 -13.647 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.921 5.822 -12.101 1.00 0.00 C ATOM 0 H THR A 64 -6.528 5.730 -14.070 1.00 0.00 H new ATOM 0 HA THR A 64 -4.134 6.097 -15.656 1.00 0.00 H new ATOM 0 HB THR A 64 -3.009 6.896 -13.755 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.932 4.797 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.093 6.002 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.690 6.579 -11.947 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.341 4.834 -11.911 1.00 0.00 H new ATOM 816 N SER A 65 -3.884 3.619 -15.958 1.00 0.00 N ATOM 817 CA SER A 65 -3.884 2.158 -16.359 1.00 0.00 C ATOM 818 C SER A 65 -2.757 1.431 -15.576 1.00 0.00 C ATOM 819 O SER A 65 -1.588 1.699 -15.826 1.00 0.00 O ATOM 820 CB SER A 65 -3.591 2.099 -17.877 1.00 0.00 C ATOM 821 OG SER A 65 -3.139 0.772 -18.110 1.00 0.00 O ATOM 0 H SER A 65 -3.255 4.191 -16.521 1.00 0.00 H new ATOM 0 HA SER A 65 -4.838 1.680 -16.138 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.484 2.320 -18.461 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.834 2.830 -18.162 1.00 0.00 H new ATOM 0 HG SER A 65 -2.933 0.659 -19.061 1.00 0.00 H new ATOM 827 N VAL A 66 -3.170 0.568 -14.627 1.00 0.00 N ATOM 828 CA VAL A 66 -2.227 -0.252 -13.734 1.00 0.00 C ATOM 829 C VAL A 66 -2.270 -1.717 -14.243 1.00 0.00 C ATOM 830 O VAL A 66 -3.289 -2.135 -14.773 1.00 0.00 O ATOM 831 CB VAL A 66 -2.771 -0.090 -12.208 1.00 0.00 C ATOM 832 CG1 VAL A 66 -2.230 -1.201 -11.172 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.456 1.384 -11.651 1.00 0.00 C ATOM 0 H VAL A 66 -4.156 0.396 -14.432 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.189 0.079 -13.764 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.847 -0.250 -12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.647 -1.010 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.535 -2.192 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.142 -1.153 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.827 1.474 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.380 1.555 -11.663 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.948 2.124 -12.282 1.00 0.00 H new ATOM 843 N VAL A 67 -1.123 -2.405 -14.057 1.00 0.00 N ATOM 844 CA VAL A 67 -0.884 -3.860 -14.454 1.00 0.00 C ATOM 845 C VAL A 67 -0.464 -4.527 -13.124 1.00 0.00 C ATOM 846 O VAL A 67 0.236 -3.885 -12.352 1.00 0.00 O ATOM 847 CB VAL A 67 0.300 -3.996 -15.560 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.277 -5.416 -16.315 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.258 -2.798 -16.615 1.00 0.00 C ATOM 0 H VAL A 67 -0.305 -1.980 -13.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.762 -4.316 -14.912 1.00 0.00 H new ATOM 0 HB VAL A 67 1.239 -3.936 -15.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.088 -5.454 -17.043 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.404 -6.217 -15.587 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.677 -5.540 -16.828 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.064 -2.922 -17.339 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.700 -2.804 -17.134 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.382 -1.849 -16.093 1.00 0.00 H new ATOM 859 N VAL A 68 -0.959 -5.764 -12.895 1.00 0.00 N ATOM 860 CA VAL A 68 -0.648 -6.572 -11.625 1.00 0.00 C ATOM 861 C VAL A 68 -0.479 -8.095 -11.924 1.00 0.00 C ATOM 862 O VAL A 68 -1.358 -8.720 -12.492 1.00 0.00 O ATOM 863 CB VAL A 68 -1.807 -6.411 -10.508 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.483 -5.264 -9.442 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.269 -6.228 -11.133 1.00 0.00 C ATOM 0 H VAL A 68 -1.574 -6.249 -13.549 1.00 0.00 H new ATOM 0 HA VAL A 68 0.290 -6.167 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.814 -7.360 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.295 -5.201 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.553 -5.500 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.380 -4.308 -9.956 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.998 -6.126 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.289 -5.334 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.517 -7.099 -11.739 1.00 0.00 H new ATOM 875 N ARG A 69 0.682 -8.616 -11.505 1.00 0.00 N ATOM 876 CA ARG A 69 1.087 -10.075 -11.674 1.00 0.00 C ATOM 877 C ARG A 69 0.605 -10.845 -10.426 1.00 0.00 C ATOM 878 O ARG A 69 0.313 -10.214 -9.423 1.00 0.00 O ATOM 879 CB ARG A 69 2.666 -10.123 -11.740 1.00 0.00 C ATOM 880 CG ARG A 69 3.287 -9.619 -13.116 1.00 0.00 C ATOM 881 CD ARG A 69 3.529 -10.735 -14.183 1.00 0.00 C ATOM 882 NE ARG A 69 4.752 -11.521 -13.837 1.00 0.00 N ATOM 883 CZ ARG A 69 5.364 -12.199 -14.769 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.832 -13.314 -15.191 1.00 0.00 N ATOM 885 NH2 ARG A 69 6.487 -11.741 -15.249 1.00 0.00 N ATOM 0 H ARG A 69 1.393 -8.058 -11.032 1.00 0.00 H new ATOM 0 HA ARG A 69 0.656 -10.514 -12.574 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.069 -9.515 -10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.993 -11.148 -11.562 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.622 -8.868 -13.543 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.236 -9.124 -12.909 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.664 -11.396 -14.231 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.643 -10.287 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 69 5.105 -11.527 -12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.952 -13.642 -14.793 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.296 -13.857 -15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.873 -10.866 -14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.979 -12.258 -15.978 1.00 0.00 H new ATOM 899 N ARG A 70 0.517 -12.179 -10.541 1.00 0.00 N ATOM 900 CA ARG A 70 0.062 -13.081 -9.408 1.00 0.00 C ATOM 901 C ARG A 70 1.087 -13.099 -8.242 1.00 0.00 C ATOM 902 O ARG A 70 0.673 -13.264 -7.105 1.00 0.00 O ATOM 903 CB ARG A 70 -0.076 -14.512 -10.055 1.00 0.00 C ATOM 904 CG ARG A 70 -0.525 -15.696 -9.061 1.00 0.00 C ATOM 905 CD ARG A 70 -1.190 -16.901 -9.792 1.00 0.00 C ATOM 906 NE ARG A 70 -1.219 -18.046 -8.838 1.00 0.00 N ATOM 907 CZ ARG A 70 -2.301 -18.767 -8.735 1.00 0.00 C ATOM 908 NH1 ARG A 70 -2.476 -19.764 -9.560 1.00 0.00 N ATOM 909 NH2 ARG A 70 -3.173 -18.468 -7.810 1.00 0.00 N ATOM 0 H ARG A 70 0.749 -12.682 -11.397 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.874 -12.732 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.800 -14.453 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.882 -14.782 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.348 -16.050 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.223 -15.297 -8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.200 -16.644 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.627 -17.163 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.400 -18.264 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.773 -19.968 -10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.316 -20.339 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.002 -17.682 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.025 -19.021 -7.715 1.00 0.00 H new ATOM 923 N SER A 71 2.371 -12.958 -8.600 1.00 0.00 N ATOM 924 CA SER A 71 3.542 -12.948 -7.615 1.00 0.00 C ATOM 925 C SER A 71 4.483 -11.788 -7.935 1.00 0.00 C ATOM 926 O SER A 71 4.588 -11.412 -9.088 1.00 0.00 O ATOM 927 CB SER A 71 4.320 -14.258 -7.791 1.00 0.00 C ATOM 928 OG SER A 71 3.810 -14.805 -8.999 1.00 0.00 O ATOM 0 H SER A 71 2.662 -12.846 -9.571 1.00 0.00 H new ATOM 0 HA SER A 71 3.166 -12.842 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.393 -14.078 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.161 -14.932 -6.950 1.00 0.00 H new ATOM 0 HG SER A 71 4.261 -15.654 -9.189 1.00 0.00 H new ATOM 934 N PHE A 72 5.106 -11.225 -6.884 1.00 0.00 N ATOM 935 CA PHE A 72 6.074 -10.055 -7.052 1.00 0.00 C ATOM 936 C PHE A 72 7.040 -9.946 -5.871 1.00 0.00 C ATOM 937 O PHE A 72 6.678 -10.286 -4.754 1.00 0.00 O ATOM 938 CB PHE A 72 5.265 -8.703 -7.199 1.00 0.00 C ATOM 939 CG PHE A 72 3.980 -8.635 -6.230 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.086 -8.240 -4.864 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.673 -8.996 -6.675 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.981 -8.230 -4.041 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.599 -8.971 -5.815 1.00 0.00 C ATOM 944 CZ PHE A 72 1.752 -8.592 -4.511 1.00 0.00 C ATOM 0 H PHE A 72 4.981 -11.531 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 72 6.660 -10.237 -7.953 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.925 -7.864 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.941 -8.590 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.047 -7.944 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.524 -9.293 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.089 -7.931 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.621 -9.255 -6.176 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.898 -8.579 -3.850 1.00 0.00 H new ATOM 954 N THR A 73 8.252 -9.477 -6.192 1.00 0.00 N ATOM 955 CA THR A 73 9.349 -9.287 -5.193 1.00 0.00 C ATOM 956 C THR A 73 9.008 -8.075 -4.303 1.00 0.00 C ATOM 957 O THR A 73 9.190 -6.940 -4.718 1.00 0.00 O ATOM 958 CB THR A 73 10.655 -9.054 -6.032 1.00 0.00 C ATOM 959 OG1 THR A 73 10.969 -10.343 -6.524 1.00 0.00 O ATOM 960 CG2 THR A 73 11.958 -8.665 -5.241 1.00 0.00 C ATOM 0 H THR A 73 8.514 -9.215 -7.142 1.00 0.00 H new ATOM 0 HA THR A 73 9.479 -10.143 -4.530 1.00 0.00 H new ATOM 0 HB THR A 73 10.436 -8.240 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.782 -10.296 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.783 -8.534 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.791 -7.734 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.204 -9.457 -4.534 1.00 0.00 H new ATOM 968 N GLY A 74 8.524 -8.380 -3.099 1.00 0.00 N ATOM 969 CA GLY A 74 8.136 -7.325 -2.091 1.00 0.00 C ATOM 970 C GLY A 74 9.388 -6.637 -1.515 1.00 0.00 C ATOM 971 O GLY A 74 10.457 -7.234 -1.537 1.00 0.00 O ATOM 0 H GLY A 74 8.382 -9.337 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.492 -6.583 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.561 -7.779 -1.284 1.00 0.00 H new ATOM 975 N TYR A 75 9.194 -5.398 -1.043 1.00 0.00 N ATOM 976 CA TYR A 75 10.289 -4.550 -0.436 1.00 0.00 C ATOM 977 C TYR A 75 9.750 -3.775 0.780 1.00 0.00 C ATOM 978 O TYR A 75 8.820 -2.992 0.635 1.00 0.00 O ATOM 979 CB TYR A 75 10.731 -3.566 -1.553 1.00 0.00 C ATOM 980 CG TYR A 75 11.581 -2.329 -0.997 1.00 0.00 C ATOM 981 CD1 TYR A 75 12.910 -2.504 -0.544 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.074 -0.995 -0.968 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.660 -1.432 -0.107 1.00 0.00 C ATOM 984 CE2 TYR A 75 11.860 0.048 -0.523 1.00 0.00 C ATOM 985 CZ TYR A 75 13.146 -0.160 -0.094 1.00 0.00 C ATOM 986 OH TYR A 75 13.913 0.897 0.350 1.00 0.00 O ATOM 0 H TYR A 75 8.285 -4.935 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 75 11.123 -5.159 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.325 -4.106 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.847 -3.190 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.344 -3.493 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.064 -0.800 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.672 -1.597 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.454 1.049 -0.512 1.00 0.00 H new ATOM 0 HH TYR A 75 13.394 1.726 0.290 1.00 0.00 H new ATOM 996 N VAL A 76 10.372 -4.044 1.939 1.00 0.00 N ATOM 997 CA VAL A 76 10.011 -3.400 3.262 1.00 0.00 C ATOM 998 C VAL A 76 10.504 -1.920 3.132 1.00 0.00 C ATOM 999 O VAL A 76 11.616 -1.708 2.677 1.00 0.00 O ATOM 1000 CB VAL A 76 10.744 -4.296 4.398 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.798 -3.603 5.828 1.00 0.00 C ATOM 1002 CG2 VAL A 76 10.057 -5.748 4.508 1.00 0.00 C ATOM 0 H VAL A 76 11.141 -4.710 2.011 1.00 0.00 H new ATOM 0 HA VAL A 76 8.955 -3.366 3.531 1.00 0.00 H new ATOM 0 HB VAL A 76 11.778 -4.402 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.303 -4.263 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.345 -2.663 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.784 -3.407 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.564 -6.333 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.006 -5.634 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.136 -6.261 3.550 1.00 0.00 H new ATOM 1055 N GLY A 80 15.474 -3.036 5.026 1.00 0.00 N ATOM 1056 CA GLY A 80 15.388 -4.523 4.738 1.00 0.00 C ATOM 1057 C GLY A 80 14.997 -5.272 6.066 1.00 0.00 C ATOM 1058 O GLY A 80 14.619 -4.558 6.982 1.00 0.00 O ATOM 0 HA2 GLY A 80 14.646 -4.716 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.343 -4.891 4.364 1.00 0.00 H new ATOM 1062 N PRO A 81 15.057 -6.667 6.207 1.00 0.00 N ATOM 1063 CA PRO A 81 15.474 -7.718 5.178 1.00 0.00 C ATOM 1064 C PRO A 81 14.435 -7.931 4.068 1.00 0.00 C ATOM 1065 O PRO A 81 13.248 -7.796 4.324 1.00 0.00 O ATOM 1066 CB PRO A 81 15.552 -9.034 5.977 1.00 0.00 C ATOM 1067 CG PRO A 81 14.908 -8.803 7.351 1.00 0.00 C ATOM 1068 CD PRO A 81 14.688 -7.300 7.523 1.00 0.00 C ATOM 0 HA PRO A 81 16.400 -7.404 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.035 -9.832 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.590 -9.347 6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.961 -9.337 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.551 -9.187 8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.651 -7.086 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.305 -6.906 8.331 1.00 0.00 H new ATOM 1076 N GLU A 82 14.934 -8.276 2.873 1.00 0.00 N ATOM 1077 CA GLU A 82 14.065 -8.530 1.664 1.00 0.00 C ATOM 1078 C GLU A 82 13.349 -9.895 1.855 1.00 0.00 C ATOM 1079 O GLU A 82 14.009 -10.872 2.184 1.00 0.00 O ATOM 1080 CB GLU A 82 15.050 -8.554 0.431 1.00 0.00 C ATOM 1081 CG GLU A 82 14.401 -8.894 -0.954 1.00 0.00 C ATOM 1082 CD GLU A 82 15.232 -8.212 -2.043 1.00 0.00 C ATOM 1083 OE1 GLU A 82 16.299 -8.735 -2.317 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.751 -7.207 -2.540 1.00 0.00 O ATOM 0 H GLU A 82 15.932 -8.391 2.695 1.00 0.00 H new ATOM 0 HA GLU A 82 13.295 -7.773 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.531 -7.579 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.835 -9.283 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.379 -9.972 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.369 -8.546 -0.987 1.00 0.00 H new ATOM 1091 N VAL A 83 12.032 -9.903 1.605 1.00 0.00 N ATOM 1092 CA VAL A 83 11.169 -11.156 1.746 1.00 0.00 C ATOM 1093 C VAL A 83 11.300 -12.090 0.528 1.00 0.00 C ATOM 1094 O VAL A 83 11.270 -13.301 0.703 1.00 0.00 O ATOM 1095 CB VAL A 83 9.615 -10.773 1.954 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.248 -10.645 3.505 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.131 -9.479 1.147 1.00 0.00 C ATOM 0 H VAL A 83 11.514 -9.078 1.304 1.00 0.00 H new ATOM 0 HA VAL A 83 11.535 -11.683 2.627 1.00 0.00 H new ATOM 0 HB VAL A 83 9.063 -11.608 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.194 -10.386 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.439 -11.595 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.860 -9.866 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.075 -9.299 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.713 -8.614 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.275 -9.642 0.079 1.00 0.00 H new ATOM 1107 N GLY A 84 11.408 -11.491 -0.646 1.00 0.00 N ATOM 1108 CA GLY A 84 11.545 -12.224 -1.944 1.00 0.00 C ATOM 1109 C GLY A 84 10.161 -12.505 -2.505 1.00 0.00 C ATOM 1110 O GLY A 84 9.185 -11.946 -2.027 1.00 0.00 O ATOM 0 H GLY A 84 11.406 -10.477 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.124 -11.631 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.086 -13.158 -1.793 1.00 0.00 H new ATOM 1114 N ALA A 85 10.156 -13.318 -3.535 1.00 0.00 N ATOM 1115 CA ALA A 85 8.899 -13.735 -4.253 1.00 0.00 C ATOM 1116 C ALA A 85 7.904 -14.493 -3.348 1.00 0.00 C ATOM 1117 O ALA A 85 8.220 -15.584 -2.888 1.00 0.00 O ATOM 1118 CB ALA A 85 9.322 -14.655 -5.415 1.00 0.00 C ATOM 0 H ALA A 85 11.005 -13.728 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 85 8.385 -12.837 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.437 -14.980 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.985 -14.110 -6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.844 -15.526 -5.018 1.00 0.00 H new ATOM 1124 N VAL A 86 6.771 -13.806 -3.065 1.00 0.00 N ATOM 1125 CA VAL A 86 5.639 -14.336 -2.202 1.00 0.00 C ATOM 1126 C VAL A 86 4.303 -14.136 -2.971 1.00 0.00 C ATOM 1127 O VAL A 86 4.082 -13.092 -3.568 1.00 0.00 O ATOM 1128 CB VAL A 86 5.691 -13.603 -0.753 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.273 -12.055 -0.764 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.917 -14.423 0.380 1.00 0.00 C ATOM 0 H VAL A 86 6.597 -12.866 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 86 5.734 -15.404 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 86 6.750 -13.605 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.339 -11.653 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.946 -11.501 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.250 -11.957 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.984 -13.887 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.870 -14.533 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.369 -15.409 0.488 1.00 0.00 H new ATOM 1140 N ASP A 87 3.483 -15.182 -2.938 1.00 0.00 N ATOM 1141 CA ASP A 87 2.144 -15.185 -3.620 1.00 0.00 C ATOM 1142 C ASP A 87 1.129 -14.438 -2.756 1.00 0.00 C ATOM 1143 O ASP A 87 1.302 -14.373 -1.554 1.00 0.00 O ATOM 1144 CB ASP A 87 1.697 -16.653 -3.746 1.00 0.00 C ATOM 1145 CG ASP A 87 2.733 -17.435 -4.562 1.00 0.00 C ATOM 1146 OD1 ASP A 87 2.613 -17.389 -5.776 1.00 0.00 O ATOM 1147 OD2 ASP A 87 3.581 -18.038 -3.926 1.00 0.00 O ATOM 0 H ASP A 87 3.701 -16.052 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 87 2.210 -14.704 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.587 -17.097 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.722 -16.707 -4.229 1.00 0.00 H new ATOM 1152 N CYS A 88 0.105 -13.909 -3.404 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.988 -13.138 -2.709 1.00 0.00 C ATOM 1154 C CYS A 88 -2.025 -14.045 -2.011 1.00 0.00 C ATOM 1155 O CYS A 88 -2.585 -13.656 -1.001 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.707 -12.340 -3.809 1.00 0.00 C ATOM 1157 SG CYS A 88 -3.054 -11.251 -3.303 1.00 0.00 S ATOM 0 H CYS A 88 -0.019 -13.983 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.544 -12.516 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.963 -11.736 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.103 -13.050 -4.535 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.219 -15.238 -2.555 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.208 -16.241 -1.996 1.00 0.00 C ATOM 1164 C ASP A 89 -2.812 -16.902 -0.658 1.00 0.00 C ATOM 1165 O ASP A 89 -3.703 -17.322 0.066 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.327 -17.373 -3.034 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.651 -16.789 -4.415 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.823 -16.529 -4.634 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -2.709 -16.648 -5.178 1.00 0.00 O ATOM 0 H ASP A 89 -1.721 -15.566 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.127 -15.688 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.395 -17.936 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.108 -18.072 -2.734 1.00 0.00 H new ATOM 1174 N THR A 90 -1.518 -16.911 -0.339 1.00 0.00 N ATOM 1175 CA THR A 90 -1.007 -17.550 0.955 1.00 0.00 C ATOM 1176 C THR A 90 -1.195 -16.654 2.192 1.00 0.00 C ATOM 1177 O THR A 90 -1.368 -17.194 3.281 1.00 0.00 O ATOM 1178 CB THR A 90 0.530 -17.818 0.822 1.00 0.00 C ATOM 1179 OG1 THR A 90 1.057 -16.683 0.180 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.924 -19.002 -0.118 1.00 0.00 C ATOM 0 H THR A 90 -0.787 -16.501 -0.921 1.00 0.00 H new ATOM 0 HA THR A 90 -1.586 -18.463 1.094 1.00 0.00 H new ATOM 0 HB THR A 90 0.895 -18.045 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.025 -16.790 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.009 -19.103 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.481 -19.926 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.557 -18.805 -1.125 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.189 -15.328 1.994 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.363 -14.346 3.153 1.00 0.00 C ATOM 1190 C ALA A 91 -2.813 -14.439 3.808 1.00 0.00 C ATOM 1191 O ALA A 91 -3.712 -14.751 3.042 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.209 -12.916 2.600 1.00 0.00 C ATOM 0 H ALA A 91 -1.071 -14.888 1.081 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.617 -14.590 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.330 -12.197 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.219 -12.802 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.969 -12.736 1.840 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.078 -14.148 5.162 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.476 -14.257 5.725 1.00 0.00 C ATOM 1200 C PRO A 92 -5.413 -13.117 5.272 1.00 0.00 C ATOM 1201 O PRO A 92 -6.532 -13.391 4.869 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.288 -14.158 7.256 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.932 -13.480 7.500 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.098 -13.692 6.234 1.00 0.00 C ATOM 0 HA PRO A 92 -4.941 -15.181 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.095 -13.580 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.312 -15.148 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.062 -12.417 7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.434 -13.912 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.596 -12.771 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.322 -14.440 6.398 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.914 -11.878 5.345 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.708 -10.655 4.944 1.00 0.00 C ATOM 1214 C GLY A 93 -5.936 -10.562 3.431 1.00 0.00 C ATOM 1215 O GLY A 93 -7.027 -10.211 3.009 1.00 0.00 O ATOM 0 H GLY A 93 -3.971 -11.670 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.673 -10.672 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.185 -9.761 5.283 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.873 -10.831 2.678 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.899 -10.791 1.160 1.00 0.00 C ATOM 1221 C GLY A 94 -4.691 -9.358 0.626 1.00 0.00 C ATOM 1222 O GLY A 94 -4.894 -8.390 1.338 1.00 0.00 O ATOM 0 H GLY A 94 -3.964 -11.083 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.121 -11.444 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.853 -11.179 0.801 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.303 -9.293 -0.640 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.042 -7.985 -1.348 1.00 0.00 C ATOM 1228 C CYS A 95 -5.325 -7.180 -1.612 1.00 0.00 C ATOM 1229 O CYS A 95 -6.406 -7.748 -1.659 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.434 -8.334 -2.711 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.114 -9.560 -2.737 1.00 0.00 S ATOM 0 H CYS A 95 -4.154 -10.116 -1.224 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.392 -7.378 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.237 -8.689 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.050 -7.415 -3.154 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.142 -5.862 -1.729 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.260 -4.863 -1.994 1.00 0.00 C ATOM 1238 C GLU A 96 -5.634 -3.548 -2.505 1.00 0.00 C ATOM 1239 O GLU A 96 -4.563 -3.187 -2.043 1.00 0.00 O ATOM 1240 CB GLU A 96 -7.162 -4.564 -0.716 1.00 0.00 C ATOM 1241 CG GLU A 96 -6.437 -3.987 0.528 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.131 -4.530 1.779 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.163 -3.971 2.111 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.589 -5.474 2.332 1.00 0.00 O ATOM 0 H GLU A 96 -4.224 -5.425 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.922 -5.306 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.945 -3.865 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.655 -5.491 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.385 -4.273 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.471 -2.898 0.517 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.352 -2.869 -3.402 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.893 -1.562 -4.014 1.00 0.00 C ATOM 1253 C ILE A 97 -6.203 -0.477 -2.945 1.00 0.00 C ATOM 1254 O ILE A 97 -7.229 -0.567 -2.279 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.719 -1.268 -5.380 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -7.058 -2.570 -6.292 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.044 -0.089 -6.273 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.904 -3.600 -6.585 1.00 0.00 C ATOM 0 H ILE A 97 -7.262 -3.182 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.835 -1.579 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.686 -0.921 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.871 -3.111 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.437 -2.215 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.635 0.068 -7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.014 0.834 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.030 -0.377 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.288 -4.410 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.091 -3.097 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.532 -4.007 -5.645 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.216 0.433 -2.747 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.295 1.586 -1.754 1.00 0.00 C ATOM 1272 C VAL A 98 -4.779 2.821 -2.533 1.00 0.00 C ATOM 1273 O VAL A 98 -3.777 2.725 -3.228 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.353 1.343 -0.438 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.338 2.616 0.564 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.748 0.016 0.350 1.00 0.00 C ATOM 0 H VAL A 98 -4.335 0.407 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.313 1.700 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.341 1.217 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.698 2.399 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.955 3.490 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.351 2.817 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.095 -0.102 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.783 0.086 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.636 -0.845 -0.309 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.553 3.911 -2.421 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.288 5.269 -3.074 1.00 0.00 C ATOM 1288 C VAL A 99 -5.534 6.259 -1.897 1.00 0.00 C ATOM 1289 O VAL A 99 -6.428 6.025 -1.103 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.331 5.585 -4.293 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -5.828 6.790 -5.228 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.645 4.292 -5.175 1.00 0.00 C ATOM 0 H VAL A 99 -6.410 3.907 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.296 5.329 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.259 5.896 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.554 6.962 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.724 7.695 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.864 6.532 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.342 4.555 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.720 3.917 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.088 3.521 -4.545 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.710 7.299 -1.794 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.861 8.326 -0.684 1.00 0.00 C ATOM 1304 C GLY A 100 -3.809 9.429 -0.854 1.00 0.00 C ATOM 1305 O GLY A 100 -3.690 9.969 -1.937 1.00 0.00 O ATOM 0 H GLY A 100 -3.937 7.480 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.862 8.758 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.745 7.846 0.287 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.123 9.770 0.238 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.061 10.836 0.190 1.00 0.00 C ATOM 1311 C GLY A 101 -1.295 10.909 1.505 1.00 0.00 C ATOM 1312 O GLY A 101 -1.315 9.971 2.285 1.00 0.00 O ATOM 0 H GLY A 101 -3.261 9.349 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.369 10.627 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.520 11.802 -0.021 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.686 12.072 1.713 1.00 0.00 N ATOM 1317 CA ASN A 102 0.134 12.358 2.944 1.00 0.00 C ATOM 1318 C ASN A 102 -0.685 12.575 4.234 1.00 0.00 C ATOM 1319 O ASN A 102 -0.082 12.546 5.298 1.00 0.00 O ATOM 1320 CB ASN A 102 0.964 13.631 2.654 1.00 0.00 C ATOM 1321 CG ASN A 102 0.110 14.896 2.800 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.809 15.150 1.909 1.00 0.00 O flip ATOM 1323 ND2 ASN A 102 0.276 15.667 3.725 1.00 0.00 N flip ATOM 0 H ASN A 102 -0.729 12.852 1.057 1.00 0.00 H new ATOM 0 HA ASN A 102 0.747 11.477 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.811 13.680 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.373 13.580 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.992 15.476 4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.301 16.505 3.800 1.00 0.00 H new ATOM 1330 N THR A 103 -2.017 12.765 4.110 1.00 0.00 N ATOM 1331 CA THR A 103 -2.912 12.990 5.320 1.00 0.00 C ATOM 1332 C THR A 103 -3.051 11.688 6.143 1.00 0.00 C ATOM 1333 O THR A 103 -2.408 11.595 7.177 1.00 0.00 O ATOM 1334 CB THR A 103 -4.327 13.497 4.851 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.619 12.793 3.658 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.360 14.991 4.403 1.00 0.00 C ATOM 0 H THR A 103 -2.509 12.771 3.217 1.00 0.00 H new ATOM 0 HA THR A 103 -2.457 13.749 5.957 1.00 0.00 H new ATOM 0 HB THR A 103 -5.006 13.357 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.496 13.071 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.372 15.257 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.054 15.627 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.677 15.135 3.565 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.821 10.709 5.643 1.00 0.00 N ATOM 1345 CA GLY A 104 -4.015 9.399 6.383 1.00 0.00 C ATOM 1346 C GLY A 104 -5.256 8.638 5.900 1.00 0.00 C ATOM 1347 O GLY A 104 -5.311 7.433 6.084 1.00 0.00 O ATOM 0 H GLY A 104 -4.318 10.771 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.132 8.774 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.105 9.597 7.451 1.00 0.00 H new ATOM 1351 N GLU A 105 -6.210 9.374 5.320 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.503 8.771 4.793 1.00 0.00 C ATOM 1353 C GLU A 105 -7.260 7.796 3.615 1.00 0.00 C ATOM 1354 O GLU A 105 -6.902 8.207 2.516 1.00 0.00 O ATOM 1355 CB GLU A 105 -8.435 9.941 4.302 1.00 0.00 C ATOM 1356 CG GLU A 105 -9.152 10.719 5.451 1.00 0.00 C ATOM 1357 CD GLU A 105 -10.555 10.139 5.683 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.628 9.177 6.429 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -11.473 10.696 5.104 1.00 0.00 O ATOM 0 H GLU A 105 -6.141 10.383 5.190 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.965 8.204 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.839 10.644 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.190 9.531 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.566 10.652 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.224 11.776 5.195 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.459 6.514 3.928 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.286 5.384 2.944 1.00 0.00 C ATOM 1368 C TYR A 106 -8.523 5.260 2.039 1.00 0.00 C ATOM 1369 O TYR A 106 -9.614 5.633 2.446 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.145 4.067 3.752 1.00 0.00 C ATOM 1371 CG TYR A 106 -6.160 4.252 4.991 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -4.757 4.269 4.812 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.629 4.361 6.331 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.905 4.377 5.891 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -5.741 4.466 7.383 1.00 0.00 C ATOM 1376 CZ TYR A 106 -4.385 4.475 7.172 1.00 0.00 C ATOM 1377 OH TYR A 106 -3.515 4.583 8.238 1.00 0.00 O ATOM 0 H TYR A 106 -7.743 6.206 4.858 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.409 5.575 2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.125 3.749 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.770 3.277 3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.347 4.196 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.691 4.362 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.838 4.385 5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.121 4.543 8.391 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.026 4.644 9.072 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.295 4.719 0.842 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.380 4.509 -0.199 1.00 0.00 C ATOM 1389 C GLY A 107 -10.145 3.202 0.043 1.00 0.00 C ATOM 1390 O GLY A 107 -11.336 3.226 0.272 1.00 0.00 O ATOM 0 H GLY A 107 -7.373 4.407 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.075 5.348 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.934 4.492 -1.193 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.389 2.102 -0.016 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.885 0.669 0.182 1.00 0.00 C ATOM 1396 C ASN A 108 -10.909 0.178 -0.890 1.00 0.00 C ATOM 1397 O ASN A 108 -11.958 0.774 -1.092 1.00 0.00 O ATOM 1398 CB ASN A 108 -10.466 0.385 1.620 1.00 0.00 C ATOM 1399 CG ASN A 108 -9.616 1.000 2.745 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -10.126 1.729 3.571 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -8.342 0.721 2.836 1.00 0.00 N ATOM 0 H ASN A 108 -8.388 2.146 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.970 0.090 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.480 0.781 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -10.535 -0.692 1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -7.787 1.115 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -7.903 0.110 2.147 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.530 -0.913 -1.579 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.378 -1.557 -2.660 1.00 0.00 C ATOM 1410 C ALA A 109 -10.796 -2.970 -2.915 1.00 0.00 C ATOM 1411 O ALA A 109 -9.809 -3.125 -3.622 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.340 -0.699 -3.963 1.00 0.00 C ATOM 0 H ALA A 109 -9.641 -1.387 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.420 -1.625 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.953 -1.174 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.728 0.298 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.312 -0.621 -4.317 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.417 -3.960 -2.265 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.997 -5.407 -2.382 1.00 0.00 C ATOM 1420 C ALA A 110 -11.312 -6.025 -3.752 1.00 0.00 C ATOM 1421 O ALA A 110 -12.141 -5.499 -4.479 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.792 -6.192 -1.329 1.00 0.00 C ATOM 0 H ALA A 110 -12.214 -3.811 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.917 -5.454 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.519 -7.246 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.563 -5.804 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.859 -6.084 -1.524 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.606 -7.139 -4.018 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.705 -7.974 -5.300 1.00 0.00 C ATOM 1430 C ILE A 111 -11.149 -9.398 -4.884 1.00 0.00 C ATOM 1431 O ILE A 111 -11.273 -9.647 -3.696 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.266 -7.953 -6.075 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.104 -8.841 -5.326 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -8.822 -6.413 -6.304 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.644 -8.747 -5.885 1.00 0.00 C ATOM 0 H ILE A 111 -9.929 -7.519 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.436 -7.572 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.390 -8.441 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.081 -8.547 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.409 -9.887 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.863 -6.384 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.574 -5.903 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.730 -5.914 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.986 -9.384 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.630 -9.076 -6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.298 -7.715 -5.827 1.00 0.00 H new ATOM 1447 N SER A 112 -11.372 -10.270 -5.882 1.00 0.00 N ATOM 1448 CA SER A 112 -11.810 -11.706 -5.650 1.00 0.00 C ATOM 1449 C SER A 112 -11.575 -12.518 -6.941 1.00 0.00 C ATOM 1450 O SER A 112 -12.196 -12.229 -7.950 1.00 0.00 O ATOM 1451 CB SER A 112 -13.324 -11.747 -5.320 1.00 0.00 C ATOM 1452 OG SER A 112 -13.398 -11.583 -3.912 1.00 0.00 O ATOM 0 H SER A 112 -11.263 -10.029 -6.867 1.00 0.00 H new ATOM 0 HA SER A 112 -11.238 -12.125 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.863 -10.954 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.770 -12.691 -5.631 1.00 0.00 H new ATOM 0 HG SER A 112 -12.692 -10.971 -3.616 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.663 -13.496 -6.866 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.320 -14.379 -8.046 1.00 0.00 C ATOM 1460 C PHE A 113 -11.478 -15.336 -8.377 1.00 0.00 C ATOM 1461 O PHE A 113 -12.263 -15.670 -7.503 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.097 -15.248 -7.649 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.886 -14.339 -7.146 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.003 -13.719 -8.069 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.602 -14.145 -5.764 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.926 -12.980 -7.630 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.512 -13.398 -5.369 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.683 -12.822 -6.294 1.00 0.00 C ATOM 0 H PHE A 113 -10.140 -13.714 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.118 -13.748 -8.911 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.383 -15.946 -6.862 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.778 -15.844 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.178 -13.828 -9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.246 -14.587 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.266 -12.520 -8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.310 -13.266 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.834 -12.241 -5.967 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.540 -15.734 -9.641 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.612 -16.671 -10.129 1.00 0.00 C ATOM 1480 C GLY A 114 -12.413 -16.955 -11.620 1.00 0.00 C ATOM 1481 O GLY A 114 -11.274 -16.850 -12.044 1.00 0.00 O ATOM 1482 OXT GLY A 114 -13.412 -17.260 -12.252 1.00 0.00 O ATOM 0 H GLY A 114 -10.880 -15.441 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.578 -17.603 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.595 -16.232 -9.961 1.00 0.00 H new