USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 715 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 13 ASN :FLIP amide:sc= -2.88 F(o=-4,f=-3.4) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -0.517 K(o=-3.4,f=-4) USER MOD Single : A 1 VAL N :NH3+ 146:sc= -0.0394 (180deg=-0.414) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.0158 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -158:sc= -1.35 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.249 (180deg=-1.09) USER MOD Single : A 23 TYR OH : rot -34:sc= 1.19 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 28 MET CE :methyl 148:sc= -0.827 (180deg=-2.24!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -160:sc= -0.612 USER MOD Single : A 44 MET CE :methyl 167:sc= -1.63 (180deg=-2.02) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.364 (180deg=0.23) USER MOD Single : A 53 THR OG1 : rot -164:sc= -0.498 USER MOD Single : A 56 SER OG : rot -123:sc= 1.21 USER MOD Single : A 61 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.51) USER MOD Single : A 65 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot 21:sc= -1.62! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0949 K(o=-0.095,f=-2.5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.497 8.193 27.768 1.00 0.00 N ATOM 2 CA VAL A 1 4.421 9.515 28.449 1.00 0.00 C ATOM 3 C VAL A 1 5.810 10.138 28.539 1.00 0.00 C ATOM 4 O VAL A 1 6.781 9.458 28.871 1.00 0.00 O ATOM 5 CB VAL A 1 3.837 9.369 29.851 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.677 8.402 30.680 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.747 10.729 30.539 1.00 0.00 C ATOM 0 H1 VAL A 1 3.790 7.550 28.178 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.307 8.314 26.753 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.447 7.790 27.897 1.00 0.00 H new ATOM 0 HA VAL A 1 3.769 10.162 27.863 1.00 0.00 H new ATOM 0 HB VAL A 1 2.829 8.963 29.764 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.247 8.309 31.677 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.689 7.425 30.198 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.696 8.780 30.758 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.328 10.605 31.538 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.743 11.165 30.615 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.105 11.390 29.956 1.00 0.00 H new ATOM 19 N PRO A 2 5.927 11.446 28.245 1.00 0.00 N ATOM 20 CA PRO A 2 7.214 12.153 28.298 1.00 0.00 C ATOM 21 C PRO A 2 7.651 12.435 29.731 1.00 0.00 C ATOM 22 O PRO A 2 6.826 12.728 30.596 1.00 0.00 O ATOM 23 CB PRO A 2 6.952 13.452 27.548 1.00 0.00 C ATOM 24 CG PRO A 2 5.481 13.687 27.659 1.00 0.00 C ATOM 25 CD PRO A 2 4.826 12.338 27.842 1.00 0.00 C ATOM 0 HA PRO A 2 8.020 11.563 27.862 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.515 14.277 27.984 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.259 13.372 26.505 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.258 14.340 28.503 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.102 14.181 26.764 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.046 12.375 28.603 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.356 11.997 26.920 1.00 0.00 H new ATOM 33 N LYS A 3 8.954 12.345 29.976 1.00 0.00 N ATOM 34 CA LYS A 3 9.502 12.592 31.306 1.00 0.00 C ATOM 35 C LYS A 3 10.345 13.860 31.305 1.00 0.00 C ATOM 36 O LYS A 3 11.569 13.803 31.186 1.00 0.00 O ATOM 37 CB LYS A 3 10.352 11.405 31.748 1.00 0.00 C ATOM 38 CG LYS A 3 9.548 10.108 31.723 1.00 0.00 C ATOM 39 CD LYS A 3 10.460 8.891 31.848 1.00 0.00 C ATOM 40 CE LYS A 3 11.185 8.879 33.191 1.00 0.00 C ATOM 41 NZ LYS A 3 10.523 7.956 34.156 1.00 0.00 N ATOM 0 H LYS A 3 9.651 12.103 29.271 1.00 0.00 H new ATOM 0 HA LYS A 3 8.676 12.721 32.005 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.218 11.311 31.093 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.731 11.581 32.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.825 10.109 32.539 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.981 10.047 30.794 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.871 7.980 31.742 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.190 8.895 31.038 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.221 8.573 33.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.205 9.887 33.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.039 7.970 35.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.542 8.263 34.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.526 6.990 33.770 1.00 0.00 H new ATOM 55 N VAL A 4 9.683 15.005 31.441 1.00 0.00 N ATOM 56 CA VAL A 4 10.373 16.291 31.458 1.00 0.00 C ATOM 57 C VAL A 4 11.506 16.270 32.476 1.00 0.00 C ATOM 58 O VAL A 4 11.748 15.254 33.128 1.00 0.00 O ATOM 59 CB VAL A 4 9.390 17.407 31.798 1.00 0.00 C ATOM 60 CG1 VAL A 4 8.380 17.593 30.670 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.675 17.110 33.113 1.00 0.00 C ATOM 0 H VAL A 4 8.670 15.069 31.541 1.00 0.00 H new ATOM 0 HA VAL A 4 10.793 16.475 30.469 1.00 0.00 H new ATOM 0 HB VAL A 4 9.951 18.334 31.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.687 18.393 30.930 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.905 17.852 29.751 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.825 16.666 30.522 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.978 17.917 33.339 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.127 16.172 33.026 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.408 17.029 33.915 1.00 0.00 H new ATOM 71 N THR A 5 12.197 17.396 32.608 1.00 0.00 N ATOM 72 CA THR A 5 13.305 17.505 33.549 1.00 0.00 C ATOM 73 C THR A 5 13.523 18.957 33.949 1.00 0.00 C ATOM 74 O THR A 5 13.539 19.850 33.101 1.00 0.00 O ATOM 75 CB THR A 5 14.578 16.943 32.925 1.00 0.00 C ATOM 76 OG1 THR A 5 14.756 17.474 31.621 1.00 0.00 O ATOM 77 CG2 THR A 5 14.526 15.419 32.867 1.00 0.00 C ATOM 0 H THR A 5 12.010 18.246 32.076 1.00 0.00 H new ATOM 0 HA THR A 5 13.059 16.929 34.441 1.00 0.00 H new ATOM 0 HB THR A 5 15.424 17.234 33.548 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.443 18.403 31.600 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.444 15.040 32.418 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.424 15.020 33.876 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.673 15.107 32.265 1.00 0.00 H new ATOM 85 N PHE A 6 13.693 19.186 35.245 1.00 0.00 N ATOM 86 CA PHE A 6 13.914 20.530 35.764 1.00 0.00 C ATOM 87 C PHE A 6 15.403 20.771 35.980 1.00 0.00 C ATOM 88 O PHE A 6 16.218 19.867 35.796 1.00 0.00 O ATOM 89 CB PHE A 6 13.160 20.707 37.078 1.00 0.00 C ATOM 90 CG PHE A 6 11.674 20.483 36.937 1.00 0.00 C ATOM 91 CD1 PHE A 6 11.173 19.196 36.813 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.809 21.565 36.931 1.00 0.00 C ATOM 93 CE1 PHE A 6 9.808 18.994 36.684 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.445 21.362 36.802 1.00 0.00 C ATOM 95 CZ PHE A 6 8.945 20.077 36.679 1.00 0.00 C ATOM 0 H PHE A 6 13.682 18.456 35.958 1.00 0.00 H new ATOM 0 HA PHE A 6 13.543 21.255 35.040 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.559 20.011 37.816 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.336 21.713 37.460 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.846 18.351 36.817 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.199 22.568 37.027 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.417 17.992 36.587 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.771 22.206 36.797 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.881 19.919 36.579 1.00 0.00 H new ATOM 105 N THR A 7 15.754 21.991 36.369 1.00 0.00 N ATOM 106 CA THR A 7 17.150 22.344 36.608 1.00 0.00 C ATOM 107 C THR A 7 17.245 23.643 37.396 1.00 0.00 C ATOM 108 O THR A 7 16.993 24.724 36.864 1.00 0.00 O ATOM 109 CB THR A 7 17.888 22.487 35.280 1.00 0.00 C ATOM 110 OG1 THR A 7 17.316 21.621 34.311 1.00 0.00 O ATOM 111 CG2 THR A 7 19.372 22.174 35.449 1.00 0.00 C ATOM 0 H THR A 7 15.093 22.752 36.526 1.00 0.00 H new ATOM 0 HA THR A 7 17.613 21.548 37.191 1.00 0.00 H new ATOM 0 HB THR A 7 17.790 23.518 34.941 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.794 21.720 33.461 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.878 22.282 34.490 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.810 22.864 36.170 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.490 21.152 35.808 1.00 0.00 H new ATOM 119 N VAL A 8 17.613 23.529 38.668 1.00 0.00 N ATOM 120 CA VAL A 8 17.745 24.693 39.537 1.00 0.00 C ATOM 121 C VAL A 8 18.801 25.644 38.988 1.00 0.00 C ATOM 122 O VAL A 8 19.966 25.589 39.383 1.00 0.00 O ATOM 123 CB VAL A 8 18.123 24.245 40.945 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.152 25.437 41.899 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.148 23.182 41.443 1.00 0.00 C ATOM 0 H VAL A 8 17.826 22.640 39.121 1.00 0.00 H new ATOM 0 HA VAL A 8 16.790 25.218 39.574 1.00 0.00 H new ATOM 0 HB VAL A 8 19.122 23.810 40.913 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.424 25.097 42.898 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.886 26.164 41.551 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.167 25.903 41.930 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.430 22.872 42.449 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.139 23.593 41.460 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.177 22.320 40.776 1.00 0.00 H new ATOM 135 N GLU A 9 18.386 26.513 38.072 1.00 0.00 N ATOM 136 CA GLU A 9 19.294 27.478 37.459 1.00 0.00 C ATOM 137 C GLU A 9 20.079 28.231 38.526 1.00 0.00 C ATOM 138 O GLU A 9 19.556 28.534 39.599 1.00 0.00 O ATOM 139 CB GLU A 9 18.504 28.464 36.603 1.00 0.00 C ATOM 140 CG GLU A 9 18.424 27.994 35.155 1.00 0.00 C ATOM 141 CD GLU A 9 18.872 29.106 34.216 1.00 0.00 C ATOM 142 OE1 GLU A 9 18.648 30.290 34.545 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.447 28.792 33.152 1.00 0.00 O ATOM 0 H GLU A 9 17.424 26.569 37.737 1.00 0.00 H new ATOM 0 HA GLU A 9 19.999 26.937 36.828 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.498 28.577 37.008 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.976 29.446 36.644 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.053 27.115 35.015 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.403 27.697 34.917 1.00 0.00 H new ATOM 150 N LYS A 10 21.337 28.532 38.221 1.00 0.00 N ATOM 151 CA LYS A 10 22.201 29.253 39.150 1.00 0.00 C ATOM 152 C LYS A 10 21.704 30.681 39.333 1.00 0.00 C ATOM 153 O LYS A 10 21.245 31.315 38.383 1.00 0.00 O ATOM 154 CB LYS A 10 23.635 29.268 38.625 1.00 0.00 C ATOM 155 CG LYS A 10 24.320 27.920 38.834 1.00 0.00 C ATOM 156 CD LYS A 10 24.339 27.103 37.545 1.00 0.00 C ATOM 157 CE LYS A 10 25.417 26.023 37.588 1.00 0.00 C ATOM 158 NZ LYS A 10 26.715 26.530 37.059 1.00 0.00 N ATOM 0 H LYS A 10 21.782 28.288 37.336 1.00 0.00 H new ATOM 0 HA LYS A 10 22.178 28.745 40.114 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.633 29.516 37.564 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.202 30.048 39.133 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.341 28.078 39.182 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.800 27.362 39.613 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.364 26.641 37.391 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.517 27.763 36.696 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.550 25.680 38.614 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.095 25.162 37.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.427 25.773 37.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.592 26.835 36.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.033 27.337 37.634 1.00 0.00 H new ATOM 172 N GLY A 11 21.800 31.183 40.559 1.00 0.00 N ATOM 173 CA GLY A 11 21.363 32.540 40.868 1.00 0.00 C ATOM 174 C GLY A 11 20.227 32.541 41.888 1.00 0.00 C ATOM 175 O GLY A 11 19.564 33.560 42.081 1.00 0.00 O ATOM 0 H GLY A 11 22.177 30.670 41.356 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.204 33.115 41.257 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.034 33.035 39.954 1.00 0.00 H new ATOM 179 N SER A 12 20.005 31.404 42.546 1.00 0.00 N ATOM 180 CA SER A 12 18.948 31.299 43.546 1.00 0.00 C ATOM 181 C SER A 12 19.132 32.370 44.612 1.00 0.00 C ATOM 182 O SER A 12 20.010 32.263 45.467 1.00 0.00 O ATOM 183 CB SER A 12 18.969 29.914 44.186 1.00 0.00 C ATOM 184 OG SER A 12 18.839 28.906 43.196 1.00 0.00 O ATOM 0 H SER A 12 20.541 30.548 42.405 1.00 0.00 H new ATOM 0 HA SER A 12 17.984 31.447 43.059 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.900 29.775 44.735 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.158 29.829 44.909 1.00 0.00 H new ATOM 0 HG SER A 12 18.508 28.082 43.610 1.00 0.00 H new ATOM 190 N ASN A 13 18.304 33.407 44.550 1.00 0.00 N ATOM 191 CA ASN A 13 18.380 34.507 45.507 1.00 0.00 C ATOM 192 C ASN A 13 18.212 33.991 46.932 1.00 0.00 C ATOM 193 O ASN A 13 18.327 32.792 47.186 1.00 0.00 O ATOM 194 CB ASN A 13 17.311 35.551 45.192 1.00 0.00 C ATOM 195 CG ASN A 13 17.281 35.837 43.695 1.00 0.00 C ATOM 196 OD1 ASN A 13 16.141 36.307 43.202 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 18.274 35.636 42.996 1.00 0.00 N flip ATOM 0 H ASN A 13 17.572 33.510 43.847 1.00 0.00 H new ATOM 0 HA ASN A 13 19.362 34.972 45.424 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.335 35.194 45.521 1.00 0.00 H new ATOM 0 HB3 ASN A 13 17.516 36.470 45.741 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.129 35.274 43.417 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.241 35.832 41.995 1.00 0.00 H new ATOM 204 N GLU A 14 17.952 34.906 47.860 1.00 0.00 N ATOM 205 CA GLU A 14 17.782 34.551 49.267 1.00 0.00 C ATOM 206 C GLU A 14 16.676 33.516 49.442 1.00 0.00 C ATOM 207 O GLU A 14 16.856 32.518 50.141 1.00 0.00 O ATOM 208 CB GLU A 14 17.454 35.798 50.082 1.00 0.00 C ATOM 209 CG GLU A 14 16.228 36.517 49.526 1.00 0.00 C ATOM 210 CD GLU A 14 16.252 37.985 49.929 1.00 0.00 C ATOM 211 OE1 GLU A 14 17.342 38.594 49.894 1.00 0.00 O ATOM 212 OE2 GLU A 14 15.181 38.524 50.278 1.00 0.00 O ATOM 0 H GLU A 14 17.854 35.902 47.664 1.00 0.00 H new ATOM 0 HA GLU A 14 18.717 34.118 49.623 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.275 35.520 51.121 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.309 36.474 50.076 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.208 36.431 48.440 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.320 36.044 49.900 1.00 0.00 H new ATOM 219 N LYS A 15 15.528 33.761 48.818 1.00 0.00 N ATOM 220 CA LYS A 15 14.394 32.847 48.924 1.00 0.00 C ATOM 221 C LYS A 15 13.743 32.626 47.563 1.00 0.00 C ATOM 222 O LYS A 15 12.529 32.445 47.471 1.00 0.00 O ATOM 223 CB LYS A 15 13.369 33.409 49.905 1.00 0.00 C ATOM 224 CG LYS A 15 12.725 34.683 49.364 1.00 0.00 C ATOM 225 CD LYS A 15 12.510 35.710 50.472 1.00 0.00 C ATOM 226 CE LYS A 15 12.210 37.090 49.895 1.00 0.00 C ATOM 227 NZ LYS A 15 11.772 38.040 50.958 1.00 0.00 N ATOM 0 H LYS A 15 15.358 34.581 48.236 1.00 0.00 H new ATOM 0 HA LYS A 15 14.758 31.887 49.289 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.598 32.662 50.097 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.853 33.620 50.859 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.358 35.111 48.587 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.769 34.441 48.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.685 35.393 51.110 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.399 35.761 51.101 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.099 37.480 49.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.432 37.007 49.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.576 38.969 50.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.910 37.678 51.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.525 38.136 51.669 1.00 0.00 H new ATOM 241 N HIS A 16 14.553 32.635 46.510 1.00 0.00 N ATOM 242 CA HIS A 16 14.047 32.428 45.156 1.00 0.00 C ATOM 243 C HIS A 16 14.543 31.099 44.605 1.00 0.00 C ATOM 244 O HIS A 16 15.562 30.572 45.052 1.00 0.00 O ATOM 245 CB HIS A 16 14.492 33.567 44.244 1.00 0.00 C ATOM 246 CG HIS A 16 13.694 34.817 44.447 1.00 0.00 C ATOM 247 ND1 HIS A 16 13.427 35.348 45.683 1.00 0.00 N ATOM 248 CD2 HIS A 16 13.089 35.657 43.568 1.00 0.00 C ATOM 249 CE1 HIS A 16 12.706 36.441 45.580 1.00 0.00 C ATOM 250 NE2 HIS A 16 12.479 36.663 44.296 1.00 0.00 N ATOM 0 H HIS A 16 15.561 32.783 46.566 1.00 0.00 H new ATOM 0 HA HIS A 16 12.958 32.411 45.193 1.00 0.00 H new ATOM 0 HB2 HIS A 16 15.546 33.780 44.424 1.00 0.00 H new ATOM 0 HB3 HIS A 16 14.404 33.250 43.205 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.085 35.557 42.493 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.359 37.052 46.400 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.946 37.442 43.909 1.00 0.00 H new ATOM 258 N LEU A 17 13.816 30.557 43.634 1.00 0.00 N ATOM 259 CA LEU A 17 14.183 29.283 43.026 1.00 0.00 C ATOM 260 C LEU A 17 14.022 29.343 41.512 1.00 0.00 C ATOM 261 O LEU A 17 12.909 29.274 40.993 1.00 0.00 O ATOM 262 CB LEU A 17 13.311 28.168 43.598 1.00 0.00 C ATOM 263 CG LEU A 17 13.756 26.800 43.093 1.00 0.00 C ATOM 264 CD1 LEU A 17 15.241 26.581 43.366 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.924 25.696 43.740 1.00 0.00 C ATOM 0 H LEU A 17 12.970 30.979 43.251 1.00 0.00 H new ATOM 0 HA LEU A 17 15.229 29.077 43.254 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.359 28.189 44.687 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.271 28.339 43.321 1.00 0.00 H new ATOM 0 HG LEU A 17 13.599 26.765 42.015 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.538 25.599 42.998 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.822 27.350 42.857 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.426 26.637 44.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.255 24.726 43.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.050 25.732 44.822 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.872 25.840 43.492 1.00 0.00 H new ATOM 277 N ALA A 18 15.145 29.464 40.809 1.00 0.00 N ATOM 278 CA ALA A 18 15.137 29.524 39.350 1.00 0.00 C ATOM 279 C ALA A 18 15.268 28.121 38.773 1.00 0.00 C ATOM 280 O ALA A 18 16.213 27.397 39.090 1.00 0.00 O ATOM 281 CB ALA A 18 16.287 30.397 38.856 1.00 0.00 C ATOM 0 H ALA A 18 16.074 29.523 41.227 1.00 0.00 H new ATOM 0 HA ALA A 18 14.194 29.960 39.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.273 30.436 37.767 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.177 31.405 39.256 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.234 29.975 39.192 1.00 0.00 H new ATOM 287 N VAL A 19 14.316 27.736 37.930 1.00 0.00 N ATOM 288 CA VAL A 19 14.327 26.412 37.316 1.00 0.00 C ATOM 289 C VAL A 19 14.449 26.523 35.802 1.00 0.00 C ATOM 290 O VAL A 19 13.823 27.381 35.180 1.00 0.00 O ATOM 291 CB VAL A 19 13.051 25.661 37.680 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.933 25.509 39.193 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.830 26.381 37.116 1.00 0.00 C ATOM 0 H VAL A 19 13.527 28.321 37.656 1.00 0.00 H new ATOM 0 HA VAL A 19 15.189 25.862 37.694 1.00 0.00 H new ATOM 0 HB VAL A 19 13.098 24.666 37.238 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.016 24.971 39.434 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.791 24.953 39.571 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.907 26.495 39.657 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.928 25.832 37.385 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.779 27.388 37.529 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.910 26.438 36.030 1.00 0.00 H new ATOM 303 N LEU A 20 15.259 25.648 35.215 1.00 0.00 N ATOM 304 CA LEU A 20 15.468 25.641 33.771 1.00 0.00 C ATOM 305 C LEU A 20 14.529 24.645 33.102 1.00 0.00 C ATOM 306 O LEU A 20 14.966 23.609 32.598 1.00 0.00 O ATOM 307 CB LEU A 20 16.918 25.276 33.459 1.00 0.00 C ATOM 308 CG LEU A 20 17.437 26.040 32.243 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.852 25.588 31.891 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.504 25.851 31.050 1.00 0.00 C ATOM 0 H LEU A 20 15.783 24.932 35.719 1.00 0.00 H new ATOM 0 HA LEU A 20 15.255 26.637 33.383 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.544 25.497 34.323 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.993 24.204 33.276 1.00 0.00 H new ATOM 0 HG LEU A 20 17.465 27.101 32.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.206 26.143 31.022 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.515 25.776 32.736 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.847 24.522 31.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.892 26.403 30.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.442 24.792 30.801 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.511 26.223 31.302 1.00 0.00 H new ATOM 322 N VAL A 21 13.238 24.961 33.098 1.00 0.00 N ATOM 323 CA VAL A 21 12.239 24.089 32.488 1.00 0.00 C ATOM 324 C VAL A 21 12.222 24.283 30.977 1.00 0.00 C ATOM 325 O VAL A 21 11.488 25.124 30.458 1.00 0.00 O ATOM 326 CB VAL A 21 10.857 24.388 33.065 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.850 23.338 32.606 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.908 24.447 34.589 1.00 0.00 C ATOM 0 H VAL A 21 12.859 25.814 33.510 1.00 0.00 H new ATOM 0 HA VAL A 21 12.500 23.054 32.708 1.00 0.00 H new ATOM 0 HB VAL A 21 10.536 25.362 32.696 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.870 23.566 33.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.789 23.344 31.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.171 22.353 32.946 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.913 24.661 34.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.252 23.489 34.979 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.596 25.233 34.900 1.00 0.00 H new ATOM 338 N LYS A 22 13.036 23.501 30.274 1.00 0.00 N ATOM 339 CA LYS A 22 13.114 23.589 28.819 1.00 0.00 C ATOM 340 C LYS A 22 13.520 22.246 28.224 1.00 0.00 C ATOM 341 O LYS A 22 14.507 21.642 28.643 1.00 0.00 O ATOM 342 CB LYS A 22 14.123 24.662 28.418 1.00 0.00 C ATOM 343 CG LYS A 22 13.632 25.460 27.214 1.00 0.00 C ATOM 344 CD LYS A 22 13.789 26.960 27.446 1.00 0.00 C ATOM 345 CE LYS A 22 15.109 27.473 26.877 1.00 0.00 C ATOM 346 NZ LYS A 22 15.216 27.193 25.417 1.00 0.00 N ATOM 0 H LYS A 22 13.650 22.800 30.688 1.00 0.00 H new ATOM 0 HA LYS A 22 12.131 23.857 28.432 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.295 25.335 29.258 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.080 24.195 28.183 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.192 25.166 26.326 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.585 25.227 27.022 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.959 27.491 26.981 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.744 27.172 28.514 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.189 28.546 27.050 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.941 27.002 27.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.809 27.919 24.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.646 26.257 25.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.268 27.208 24.990 1.00 0.00 H new ATOM 360 N TYR A 23 12.752 21.786 27.241 1.00 0.00 N ATOM 361 CA TYR A 23 13.029 20.514 26.580 1.00 0.00 C ATOM 362 C TYR A 23 12.453 20.516 25.169 1.00 0.00 C ATOM 363 O TYR A 23 11.802 21.476 24.756 1.00 0.00 O ATOM 364 CB TYR A 23 12.427 19.366 27.386 1.00 0.00 C ATOM 365 CG TYR A 23 11.005 19.631 27.809 1.00 0.00 C ATOM 366 CD1 TYR A 23 10.748 20.348 28.965 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.955 19.158 27.042 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.441 20.591 29.352 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.649 19.402 27.431 1.00 0.00 C ATOM 370 CZ TYR A 23 8.398 20.117 28.584 1.00 0.00 C ATOM 371 OH TYR A 23 7.100 20.360 28.968 1.00 0.00 O ATOM 0 H TYR A 23 11.932 22.276 26.884 1.00 0.00 H new ATOM 0 HA TYR A 23 14.109 20.379 26.518 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.460 18.454 26.790 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.038 19.191 28.272 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.567 20.718 29.565 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.154 18.599 26.140 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.239 21.151 30.253 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.828 19.033 26.833 1.00 0.00 H new ATOM 0 HH TYR A 23 7.043 20.363 29.946 1.00 0.00 H new ATOM 381 N GLU A 24 12.695 19.437 24.433 1.00 0.00 N ATOM 382 CA GLU A 24 12.199 19.315 23.066 1.00 0.00 C ATOM 383 C GLU A 24 11.024 18.347 23.013 1.00 0.00 C ATOM 384 O GLU A 24 11.212 17.133 22.943 1.00 0.00 O ATOM 385 CB GLU A 24 13.315 18.830 22.146 1.00 0.00 C ATOM 386 CG GLU A 24 12.958 19.054 20.679 1.00 0.00 C ATOM 387 CD GLU A 24 14.107 19.744 19.956 1.00 0.00 C ATOM 388 OE1 GLU A 24 14.297 20.961 20.166 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.816 19.067 19.182 1.00 0.00 O ATOM 0 H GLU A 24 13.232 18.634 24.760 1.00 0.00 H new ATOM 0 HA GLU A 24 11.861 20.295 22.729 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.239 19.357 22.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.499 17.770 22.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.739 18.099 20.201 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.056 19.661 20.606 1.00 0.00 H new ATOM 396 N GLY A 25 9.813 18.892 23.048 1.00 0.00 N ATOM 397 CA GLY A 25 8.603 18.079 23.006 1.00 0.00 C ATOM 398 C GLY A 25 7.363 18.961 23.060 1.00 0.00 C ATOM 399 O GLY A 25 6.464 18.839 22.228 1.00 0.00 O ATOM 0 H GLY A 25 9.643 19.896 23.106 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.591 17.481 22.095 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.597 17.382 23.844 1.00 0.00 H new ATOM 403 N ASP A 26 7.321 19.851 24.046 1.00 0.00 N ATOM 404 CA ASP A 26 6.192 20.759 24.213 1.00 0.00 C ATOM 405 C ASP A 26 6.679 22.200 24.283 1.00 0.00 C ATOM 406 O ASP A 26 7.825 22.460 24.652 1.00 0.00 O ATOM 407 CB ASP A 26 5.423 20.408 25.483 1.00 0.00 C ATOM 408 CG ASP A 26 4.869 18.993 25.389 1.00 0.00 C ATOM 409 OD1 ASP A 26 5.669 18.035 25.451 1.00 0.00 O ATOM 410 OD2 ASP A 26 3.637 18.843 25.254 1.00 0.00 O ATOM 0 H ASP A 26 8.057 19.963 24.743 1.00 0.00 H new ATOM 0 HA ASP A 26 5.529 20.654 23.354 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.079 20.492 26.349 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.608 21.116 25.631 1.00 0.00 H new ATOM 415 N THR A 27 5.805 23.134 23.928 1.00 0.00 N ATOM 416 CA THR A 27 6.149 24.552 23.951 1.00 0.00 C ATOM 417 C THR A 27 6.003 25.111 25.360 1.00 0.00 C ATOM 418 O THR A 27 5.698 24.379 26.301 1.00 0.00 O ATOM 419 CB THR A 27 5.253 25.323 22.987 1.00 0.00 C ATOM 420 OG1 THR A 27 4.539 24.419 22.158 1.00 0.00 O ATOM 421 CG2 THR A 27 6.079 26.277 22.129 1.00 0.00 C ATOM 0 H THR A 27 4.853 22.936 23.621 1.00 0.00 H new ATOM 0 HA THR A 27 7.187 24.664 23.638 1.00 0.00 H new ATOM 0 HB THR A 27 4.543 25.910 23.570 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.965 24.922 21.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.421 26.817 21.448 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.598 26.988 22.772 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.809 25.709 21.553 1.00 0.00 H new ATOM 429 N MET A 28 6.229 26.413 25.500 1.00 0.00 N ATOM 430 CA MET A 28 6.129 27.076 26.797 1.00 0.00 C ATOM 431 C MET A 28 5.025 28.123 26.780 1.00 0.00 C ATOM 432 O MET A 28 5.045 29.047 25.968 1.00 0.00 O ATOM 433 CB MET A 28 7.455 27.740 27.141 1.00 0.00 C ATOM 434 CG MET A 28 8.484 26.718 27.619 1.00 0.00 C ATOM 435 SD MET A 28 10.153 27.388 27.649 1.00 0.00 S ATOM 436 CE MET A 28 10.601 27.261 25.911 1.00 0.00 C ATOM 0 H MET A 28 6.483 27.032 24.730 1.00 0.00 H new ATOM 0 HA MET A 28 5.890 26.326 27.551 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.839 28.263 26.265 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.298 28.490 27.916 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.215 26.376 28.618 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.457 25.846 26.965 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.274 28.077 25.648 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.099 26.308 25.732 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.702 27.321 25.298 1.00 0.00 H new ATOM 446 N ALA A 29 4.064 27.974 27.684 1.00 0.00 N ATOM 447 CA ALA A 29 2.947 28.908 27.778 1.00 0.00 C ATOM 448 C ALA A 29 2.885 29.518 29.172 1.00 0.00 C ATOM 449 O ALA A 29 2.861 30.739 29.326 1.00 0.00 O ATOM 450 CB ALA A 29 1.642 28.184 27.468 1.00 0.00 C ATOM 0 H ALA A 29 4.035 27.214 28.364 1.00 0.00 H new ATOM 0 HA ALA A 29 3.094 29.708 27.053 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.811 28.886 27.539 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.684 27.773 26.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.496 27.375 28.183 1.00 0.00 H new ATOM 456 N GLU A 30 2.861 28.660 30.186 1.00 0.00 N ATOM 457 CA GLU A 30 2.803 29.109 31.573 1.00 0.00 C ATOM 458 C GLU A 30 3.321 28.017 32.500 1.00 0.00 C ATOM 459 O GLU A 30 3.439 26.857 32.104 1.00 0.00 O ATOM 460 CB GLU A 30 1.368 29.472 31.944 1.00 0.00 C ATOM 461 CG GLU A 30 1.294 30.863 32.567 1.00 0.00 C ATOM 462 CD GLU A 30 -0.143 31.370 32.561 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.884 31.072 33.521 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.525 32.065 31.596 1.00 0.00 O ATOM 0 H GLU A 30 2.881 27.646 30.073 1.00 0.00 H new ATOM 0 HA GLU A 30 3.432 29.992 31.684 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.739 29.435 31.054 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.973 28.736 32.644 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.671 30.832 33.589 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.932 31.551 32.013 1.00 0.00 H new ATOM 471 N VAL A 31 3.630 28.392 33.737 1.00 0.00 N ATOM 472 CA VAL A 31 4.136 27.441 34.722 1.00 0.00 C ATOM 473 C VAL A 31 3.672 27.820 36.121 1.00 0.00 C ATOM 474 O VAL A 31 3.471 28.996 36.424 1.00 0.00 O ATOM 475 CB VAL A 31 5.662 27.399 34.679 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.187 26.218 35.490 1.00 0.00 C ATOM 477 CG2 VAL A 31 6.160 27.322 33.239 1.00 0.00 C ATOM 0 H VAL A 31 3.539 29.348 34.082 1.00 0.00 H new ATOM 0 HA VAL A 31 3.743 26.454 34.478 1.00 0.00 H new ATOM 0 HB VAL A 31 6.042 28.319 35.123 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.276 26.203 35.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.865 26.317 36.527 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.796 25.289 35.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.250 27.293 33.232 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.770 26.420 32.767 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.817 28.198 32.688 1.00 0.00 H new ATOM 487 N GLU A 32 3.504 26.812 36.970 1.00 0.00 N ATOM 488 CA GLU A 32 3.066 27.023 38.337 1.00 0.00 C ATOM 489 C GLU A 32 3.453 25.831 39.199 1.00 0.00 C ATOM 490 O GLU A 32 3.205 24.681 38.833 1.00 0.00 O ATOM 491 CB GLU A 32 1.561 27.225 38.362 1.00 0.00 C ATOM 492 CG GLU A 32 0.819 25.970 37.920 1.00 0.00 C ATOM 493 CD GLU A 32 -0.207 26.317 36.849 1.00 0.00 C ATOM 494 OE1 GLU A 32 -1.105 27.137 37.130 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.111 25.770 35.731 1.00 0.00 O ATOM 0 H GLU A 32 3.667 25.834 36.729 1.00 0.00 H new ATOM 0 HA GLU A 32 3.552 27.913 38.738 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.247 27.498 39.369 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.294 28.055 37.708 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.527 25.237 37.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.322 25.512 38.775 1.00 0.00 H new ATOM 502 N LEU A 33 4.072 26.108 40.340 1.00 0.00 N ATOM 503 CA LEU A 33 4.505 25.054 41.248 1.00 0.00 C ATOM 504 C LEU A 33 3.681 25.065 42.530 1.00 0.00 C ATOM 505 O LEU A 33 2.761 25.867 42.686 1.00 0.00 O ATOM 506 CB LEU A 33 5.990 25.223 41.568 1.00 0.00 C ATOM 507 CG LEU A 33 6.241 26.412 42.490 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.063 25.997 43.945 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.636 26.982 42.261 1.00 0.00 C ATOM 0 H LEU A 33 4.285 27.053 40.658 1.00 0.00 H new ATOM 0 HA LEU A 33 4.352 24.092 40.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.366 24.314 42.037 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.548 25.358 40.641 1.00 0.00 H new ATOM 0 HG LEU A 33 5.513 27.190 42.260 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.245 26.855 44.593 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.046 25.636 44.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.770 25.204 44.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.797 27.829 42.928 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.381 26.213 42.465 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.729 27.312 41.226 1.00 0.00 H new ATOM 521 N ARG A 34 4.027 24.167 43.446 1.00 0.00 N ATOM 522 CA ARG A 34 3.335 24.061 44.725 1.00 0.00 C ATOM 523 C ARG A 34 4.329 23.727 45.829 1.00 0.00 C ATOM 524 O ARG A 34 5.437 23.265 45.560 1.00 0.00 O ATOM 525 CB ARG A 34 2.262 22.979 44.648 1.00 0.00 C ATOM 526 CG ARG A 34 1.156 23.222 45.670 1.00 0.00 C ATOM 527 CD ARG A 34 -0.052 22.329 45.398 1.00 0.00 C ATOM 528 NE ARG A 34 -0.310 21.460 46.541 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.394 20.693 46.605 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.015 20.324 45.493 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.858 20.294 47.781 1.00 0.00 N ATOM 0 H ARG A 34 4.788 23.498 43.325 1.00 0.00 H new ATOM 0 HA ARG A 34 2.861 25.016 44.951 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.835 22.958 43.645 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.714 22.003 44.823 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.536 23.029 46.673 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.852 24.268 45.640 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.929 22.944 45.196 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.127 21.726 44.508 1.00 0.00 H new ATOM 0 HE ARG A 34 0.359 21.440 47.311 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.661 20.629 44.586 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.847 19.735 45.544 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.383 20.575 48.639 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.690 19.706 47.828 1.00 0.00 H new ATOM 545 N GLU A 35 3.926 23.958 47.073 1.00 0.00 N ATOM 546 CA GLU A 35 4.782 23.673 48.218 1.00 0.00 C ATOM 547 C GLU A 35 4.025 22.845 49.247 1.00 0.00 C ATOM 548 O GLU A 35 4.339 22.873 50.437 1.00 0.00 O ATOM 549 CB GLU A 35 5.266 24.976 48.848 1.00 0.00 C ATOM 550 CG GLU A 35 6.759 25.178 48.608 1.00 0.00 C ATOM 551 CD GLU A 35 7.564 24.550 49.739 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.795 23.323 49.695 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.961 25.285 50.667 1.00 0.00 O ATOM 0 H GLU A 35 3.012 24.342 47.314 1.00 0.00 H new ATOM 0 HA GLU A 35 5.646 23.104 47.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.710 25.815 48.429 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.065 24.963 49.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.045 24.731 47.656 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.983 26.243 48.540 1.00 0.00 H new ATOM 560 N HIS A 36 3.025 22.103 48.778 1.00 0.00 N ATOM 561 CA HIS A 36 2.218 21.259 49.650 1.00 0.00 C ATOM 562 C HIS A 36 1.736 22.041 50.866 1.00 0.00 C ATOM 563 O HIS A 36 2.436 22.137 51.873 1.00 0.00 O ATOM 564 CB HIS A 36 3.033 20.050 50.096 1.00 0.00 C ATOM 565 CG HIS A 36 2.448 18.752 49.633 1.00 0.00 C ATOM 566 ND1 HIS A 36 3.054 17.938 48.712 1.00 0.00 N ATOM 567 CD2 HIS A 36 1.296 18.112 49.961 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.330 16.867 48.482 1.00 0.00 C ATOM 569 NE2 HIS A 36 1.242 16.939 49.231 1.00 0.00 N ATOM 0 H HIS A 36 2.755 22.070 47.795 1.00 0.00 H new ATOM 0 HA HIS A 36 1.344 20.920 49.093 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.050 20.142 49.713 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.101 20.045 51.184 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.554 18.458 50.666 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.579 16.067 47.800 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.492 16.248 49.264 1.00 0.00 H new ATOM 577 N GLY A 37 0.531 22.592 50.766 1.00 0.00 N ATOM 578 CA GLY A 37 -0.057 23.362 51.859 1.00 0.00 C ATOM 579 C GLY A 37 0.134 24.859 51.644 1.00 0.00 C ATOM 580 O GLY A 37 -0.686 25.666 52.081 1.00 0.00 O ATOM 0 H GLY A 37 -0.060 22.520 49.938 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.121 23.136 51.936 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.401 23.066 52.803 1.00 0.00 H new ATOM 584 N SER A 38 1.221 25.225 50.974 1.00 0.00 N ATOM 585 CA SER A 38 1.523 26.629 50.707 1.00 0.00 C ATOM 586 C SER A 38 0.474 27.240 49.785 1.00 0.00 C ATOM 587 O SER A 38 0.734 27.479 48.605 1.00 0.00 O ATOM 588 CB SER A 38 2.905 26.752 50.074 1.00 0.00 C ATOM 589 OG SER A 38 3.917 26.609 51.058 1.00 0.00 O ATOM 0 H SER A 38 1.909 24.569 50.605 1.00 0.00 H new ATOM 0 HA SER A 38 1.510 27.171 51.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.028 25.990 49.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.002 27.720 49.583 1.00 0.00 H new ATOM 0 HG SER A 38 4.754 26.994 50.724 1.00 0.00 H new ATOM 595 N ASP A 39 -0.712 27.498 50.332 1.00 0.00 N ATOM 596 CA ASP A 39 -1.807 28.091 49.564 1.00 0.00 C ATOM 597 C ASP A 39 -1.972 27.390 48.220 1.00 0.00 C ATOM 598 O ASP A 39 -2.162 28.039 47.192 1.00 0.00 O ATOM 599 CB ASP A 39 -1.539 29.576 49.340 1.00 0.00 C ATOM 600 CG ASP A 39 -1.338 30.284 50.674 1.00 0.00 C ATOM 601 OD1 ASP A 39 -0.183 30.349 51.144 1.00 0.00 O ATOM 602 OD2 ASP A 39 -2.336 30.772 51.246 1.00 0.00 O ATOM 0 H ASP A 39 -0.941 27.305 51.307 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.729 27.969 50.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.654 29.703 48.716 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.374 30.026 48.804 1.00 0.00 H new ATOM 607 N GLU A 40 -1.901 26.063 48.232 1.00 0.00 N ATOM 608 CA GLU A 40 -2.046 25.279 47.009 1.00 0.00 C ATOM 609 C GLU A 40 -1.096 25.791 45.935 1.00 0.00 C ATOM 610 O GLU A 40 -0.262 26.660 46.190 1.00 0.00 O ATOM 611 CB GLU A 40 -3.486 25.358 46.511 1.00 0.00 C ATOM 612 CG GLU A 40 -4.319 24.196 47.043 1.00 0.00 C ATOM 613 CD GLU A 40 -4.592 24.381 48.530 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.085 25.463 48.914 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.313 23.445 49.308 1.00 0.00 O ATOM 0 H GLU A 40 -1.744 25.508 49.073 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.798 24.240 47.227 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.931 26.302 46.826 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.498 25.348 45.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.261 24.135 46.498 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.793 23.256 46.877 1.00 0.00 H new ATOM 622 N TRP A 41 -1.228 25.243 44.730 1.00 0.00 N ATOM 623 CA TRP A 41 -0.384 25.634 43.600 1.00 0.00 C ATOM 624 C TRP A 41 -0.250 27.150 43.519 1.00 0.00 C ATOM 625 O TRP A 41 -1.195 27.883 43.810 1.00 0.00 O ATOM 626 CB TRP A 41 -0.983 25.105 42.300 1.00 0.00 C ATOM 627 CG TRP A 41 -1.136 23.616 42.297 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.228 22.904 42.707 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.160 22.649 41.859 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.970 21.571 42.545 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.724 21.379 42.032 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.132 22.735 41.339 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.042 20.219 41.705 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.822 21.578 41.009 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.240 20.330 41.191 1.00 0.00 C ATOM 0 H TRP A 41 -1.915 24.522 44.508 1.00 0.00 H new ATOM 0 HA TRP A 41 0.607 25.206 43.750 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.957 25.566 42.140 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.348 25.402 41.465 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.144 23.325 43.095 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.623 20.822 42.777 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.594 23.700 41.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.499 19.251 41.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.822 21.648 40.607 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.791 19.439 40.930 1.00 0.00 H new ATOM 646 N VAL A 42 0.929 27.613 43.119 1.00 0.00 N ATOM 647 CA VAL A 42 1.189 29.043 42.993 1.00 0.00 C ATOM 648 C VAL A 42 1.823 29.343 41.642 1.00 0.00 C ATOM 649 O VAL A 42 2.929 28.888 41.351 1.00 0.00 O ATOM 650 CB VAL A 42 2.114 29.508 44.115 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.429 29.371 45.472 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.421 28.720 44.092 1.00 0.00 C ATOM 0 H VAL A 42 1.721 27.018 42.876 1.00 0.00 H new ATOM 0 HA VAL A 42 0.243 29.579 43.067 1.00 0.00 H new ATOM 0 HB VAL A 42 2.344 30.561 43.954 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.106 29.708 46.257 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.525 29.980 45.486 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.166 28.327 45.643 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.068 29.065 44.899 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.209 27.659 44.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.921 28.872 43.135 1.00 0.00 H new ATOM 662 N ALA A 43 1.119 30.113 40.816 1.00 0.00 N ATOM 663 CA ALA A 43 1.617 30.474 39.491 1.00 0.00 C ATOM 664 C ALA A 43 3.046 30.999 39.589 1.00 0.00 C ATOM 665 O ALA A 43 3.335 31.889 40.389 1.00 0.00 O ATOM 666 CB ALA A 43 0.714 31.534 38.866 1.00 0.00 C ATOM 0 H ALA A 43 0.202 30.499 41.041 1.00 0.00 H new ATOM 0 HA ALA A 43 1.612 29.585 38.860 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.092 31.798 37.878 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.299 31.141 38.774 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.703 32.421 39.499 1.00 0.00 H new ATOM 672 N MET A 44 3.936 30.442 38.775 1.00 0.00 N ATOM 673 CA MET A 44 5.335 30.852 38.774 1.00 0.00 C ATOM 674 C MET A 44 5.457 32.310 38.358 1.00 0.00 C ATOM 675 O MET A 44 4.456 33.013 38.221 1.00 0.00 O ATOM 676 CB MET A 44 6.136 29.969 37.821 1.00 0.00 C ATOM 677 CG MET A 44 6.807 28.814 38.560 1.00 0.00 C ATOM 678 SD MET A 44 8.432 29.258 39.195 1.00 0.00 S ATOM 679 CE MET A 44 9.347 27.743 38.869 1.00 0.00 C ATOM 0 H MET A 44 3.713 29.704 38.107 1.00 0.00 H new ATOM 0 HA MET A 44 5.734 30.741 39.782 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.477 29.574 37.048 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.894 30.569 37.317 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.171 28.497 39.386 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.903 27.962 37.887 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.414 27.930 38.989 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.033 26.970 39.570 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.149 27.411 37.850 1.00 0.00 H new ATOM 689 N THR A 45 6.690 32.762 38.160 1.00 0.00 N ATOM 690 CA THR A 45 6.945 34.140 37.761 1.00 0.00 C ATOM 691 C THR A 45 7.927 34.184 36.597 1.00 0.00 C ATOM 692 O THR A 45 9.113 33.898 36.763 1.00 0.00 O ATOM 693 CB THR A 45 7.506 34.924 38.943 1.00 0.00 C ATOM 694 OG1 THR A 45 6.651 34.784 40.067 1.00 0.00 O ATOM 695 CG2 THR A 45 7.667 36.398 38.588 1.00 0.00 C ATOM 0 H THR A 45 7.529 32.193 38.270 1.00 0.00 H new ATOM 0 HA THR A 45 6.006 34.592 37.442 1.00 0.00 H new ATOM 0 HB THR A 45 8.489 34.521 39.188 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.018 35.289 40.822 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.068 36.937 39.446 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.351 36.497 37.745 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.697 36.815 38.319 1.00 0.00 H new ATOM 703 N LYS A 46 7.428 34.544 35.418 1.00 0.00 N ATOM 704 CA LYS A 46 8.267 34.624 34.227 1.00 0.00 C ATOM 705 C LYS A 46 8.948 35.984 34.150 1.00 0.00 C ATOM 706 O LYS A 46 8.311 36.993 33.849 1.00 0.00 O ATOM 707 CB LYS A 46 7.429 34.389 32.972 1.00 0.00 C ATOM 708 CG LYS A 46 6.574 33.132 33.104 1.00 0.00 C ATOM 709 CD LYS A 46 5.466 33.105 32.055 1.00 0.00 C ATOM 710 CE LYS A 46 6.041 33.025 30.644 1.00 0.00 C ATOM 711 NZ LYS A 46 5.015 32.565 29.665 1.00 0.00 N ATOM 0 H LYS A 46 6.449 34.784 35.262 1.00 0.00 H new ATOM 0 HA LYS A 46 9.032 33.850 34.290 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.787 35.251 32.794 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.085 34.296 32.106 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.203 32.248 32.995 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.135 33.090 34.101 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.814 32.250 32.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.851 34.000 32.149 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.417 34.004 30.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.889 32.341 30.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.484 32.262 28.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.484 31.766 30.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.360 33.345 29.456 1.00 0.00 H new ATOM 725 N GLY A 47 10.249 36.004 34.427 1.00 0.00 N ATOM 726 CA GLY A 47 11.024 37.239 34.393 1.00 0.00 C ATOM 727 C GLY A 47 12.420 37.016 34.961 1.00 0.00 C ATOM 728 O GLY A 47 12.922 37.829 35.737 1.00 0.00 O ATOM 0 H GLY A 47 10.789 35.176 34.678 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.097 37.600 33.367 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.512 38.011 34.967 1.00 0.00 H new ATOM 732 N GLU A 48 13.045 35.909 34.569 1.00 0.00 N ATOM 733 CA GLU A 48 14.388 35.578 35.039 1.00 0.00 C ATOM 734 C GLU A 48 15.290 35.222 33.865 1.00 0.00 C ATOM 735 O GLU A 48 15.744 34.085 33.742 1.00 0.00 O ATOM 736 CB GLU A 48 14.327 34.409 36.017 1.00 0.00 C ATOM 737 CG GLU A 48 15.635 34.265 36.789 1.00 0.00 C ATOM 738 CD GLU A 48 15.680 35.260 37.941 1.00 0.00 C ATOM 739 OE1 GLU A 48 14.601 35.685 38.403 1.00 0.00 O ATOM 740 OE2 GLU A 48 16.795 35.612 38.380 1.00 0.00 O ATOM 0 H GLU A 48 12.643 35.226 33.927 1.00 0.00 H new ATOM 0 HA GLU A 48 14.801 36.449 35.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.504 34.559 36.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.119 33.487 35.473 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.729 33.249 37.173 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.480 34.433 36.121 1.00 0.00 H new ATOM 747 N GLY A 49 15.549 36.201 33.005 1.00 0.00 N ATOM 748 CA GLY A 49 16.399 35.990 31.839 1.00 0.00 C ATOM 749 C GLY A 49 15.730 35.048 30.847 1.00 0.00 C ATOM 750 O GLY A 49 15.142 35.489 29.860 1.00 0.00 O ATOM 0 H GLY A 49 15.182 37.149 33.093 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.607 36.945 31.357 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.357 35.575 32.152 1.00 0.00 H new ATOM 754 N GLY A 50 15.822 33.749 31.113 1.00 0.00 N ATOM 755 CA GLY A 50 15.224 32.746 30.239 1.00 0.00 C ATOM 756 C GLY A 50 14.726 31.544 31.036 1.00 0.00 C ATOM 757 O GLY A 50 14.548 30.458 30.485 1.00 0.00 O ATOM 0 H GLY A 50 16.305 33.366 31.926 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.394 33.189 29.688 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.958 32.418 29.502 1.00 0.00 H new ATOM 761 N VAL A 51 14.497 31.741 32.331 1.00 0.00 N ATOM 762 CA VAL A 51 14.014 30.668 33.194 1.00 0.00 C ATOM 763 C VAL A 51 12.956 31.199 34.148 1.00 0.00 C ATOM 764 O VAL A 51 12.737 32.407 34.233 1.00 0.00 O ATOM 765 CB VAL A 51 15.172 30.062 33.981 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.231 29.514 33.029 1.00 0.00 C ATOM 767 CG2 VAL A 51 15.783 31.093 34.927 1.00 0.00 C ATOM 0 H VAL A 51 14.638 32.633 32.805 1.00 0.00 H new ATOM 0 HA VAL A 51 13.569 29.892 32.571 1.00 0.00 H new ATOM 0 HB VAL A 51 14.785 29.239 34.581 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.051 29.085 33.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.789 28.743 32.398 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.611 30.322 32.403 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.607 30.639 35.478 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.155 31.940 34.351 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.024 31.438 35.629 1.00 0.00 H new ATOM 777 N TRP A 52 12.290 30.296 34.856 1.00 0.00 N ATOM 778 CA TRP A 52 11.246 30.685 35.793 1.00 0.00 C ATOM 779 C TRP A 52 11.768 30.686 37.223 1.00 0.00 C ATOM 780 O TRP A 52 12.484 29.774 37.638 1.00 0.00 O ATOM 781 CB TRP A 52 10.074 29.725 35.670 1.00 0.00 C ATOM 782 CG TRP A 52 9.734 29.422 34.245 1.00 0.00 C ATOM 783 CD1 TRP A 52 9.461 28.196 33.714 1.00 0.00 C ATOM 784 CD2 TRP A 52 9.642 30.366 33.160 1.00 0.00 C ATOM 785 NE1 TRP A 52 9.189 28.344 32.382 1.00 0.00 N ATOM 786 CE2 TRP A 52 9.291 29.649 32.011 1.00 0.00 C ATOM 787 CE3 TRP A 52 9.816 31.745 33.054 1.00 0.00 C ATOM 788 CZ2 TRP A 52 9.113 30.268 30.785 1.00 0.00 C ATOM 789 CZ3 TRP A 52 9.641 32.372 31.830 1.00 0.00 C ATOM 790 CH2 TRP A 52 9.291 31.639 30.705 1.00 0.00 C ATOM 0 H TRP A 52 12.454 29.291 34.799 1.00 0.00 H new ATOM 0 HA TRP A 52 10.920 31.697 35.551 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.312 28.797 36.190 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.203 30.154 36.166 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.460 27.262 34.256 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.943 27.580 31.752 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.087 32.324 33.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.842 29.694 29.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.778 33.440 31.751 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.156 32.142 29.759 1.00 0.00 H new ATOM 801 N THR A 53 11.392 31.714 37.975 1.00 0.00 N ATOM 802 CA THR A 53 11.801 31.843 39.368 1.00 0.00 C ATOM 803 C THR A 53 10.568 31.893 40.258 1.00 0.00 C ATOM 804 O THR A 53 9.551 32.481 39.890 1.00 0.00 O ATOM 805 CB THR A 53 12.632 33.109 39.561 1.00 0.00 C ATOM 806 OG1 THR A 53 12.380 34.022 38.504 1.00 0.00 O ATOM 807 CG2 THR A 53 14.120 32.780 39.626 1.00 0.00 C ATOM 0 H THR A 53 10.801 32.475 37.640 1.00 0.00 H new ATOM 0 HA THR A 53 12.410 30.981 39.640 1.00 0.00 H new ATOM 0 HB THR A 53 12.343 33.567 40.507 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.079 34.708 38.491 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.690 33.699 39.764 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.308 32.107 40.463 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.427 32.298 38.698 1.00 0.00 H new ATOM 815 N PHE A 54 10.656 31.269 41.425 1.00 0.00 N ATOM 816 CA PHE A 54 9.537 31.240 42.357 1.00 0.00 C ATOM 817 C PHE A 54 9.815 32.133 43.560 1.00 0.00 C ATOM 818 O PHE A 54 10.738 31.883 44.334 1.00 0.00 O ATOM 819 CB PHE A 54 9.281 29.805 42.811 1.00 0.00 C ATOM 820 CG PHE A 54 8.235 29.705 43.892 1.00 0.00 C ATOM 821 CD1 PHE A 54 6.986 30.272 43.702 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.522 29.046 45.076 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.025 30.180 44.695 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.562 28.954 46.069 1.00 0.00 C ATOM 825 CZ PHE A 54 6.313 29.521 45.879 1.00 0.00 C ATOM 0 H PHE A 54 11.489 30.777 41.748 1.00 0.00 H new ATOM 0 HA PHE A 54 8.649 31.619 41.850 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.967 29.209 41.954 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.213 29.373 43.175 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.761 30.786 42.779 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.496 28.603 45.225 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.051 30.622 44.546 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.787 28.440 46.992 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.564 29.449 46.654 1.00 0.00 H new ATOM 835 N ASP A 55 9.003 33.175 43.708 1.00 0.00 N ATOM 836 CA ASP A 55 9.147 34.114 44.815 1.00 0.00 C ATOM 837 C ASP A 55 8.022 33.913 45.822 1.00 0.00 C ATOM 838 O ASP A 55 6.849 33.866 45.452 1.00 0.00 O ATOM 839 CB ASP A 55 9.123 35.546 44.287 1.00 0.00 C ATOM 840 CG ASP A 55 9.500 36.525 45.392 1.00 0.00 C ATOM 841 OD1 ASP A 55 9.785 36.071 46.520 1.00 0.00 O ATOM 842 OD2 ASP A 55 9.509 37.746 45.127 1.00 0.00 O ATOM 0 H ASP A 55 8.235 33.391 43.072 1.00 0.00 H new ATOM 0 HA ASP A 55 10.101 33.932 45.311 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.817 35.644 43.452 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.130 35.783 43.905 1.00 0.00 H new ATOM 847 N SER A 56 8.384 33.793 47.095 1.00 0.00 N ATOM 848 CA SER A 56 7.398 33.594 48.153 1.00 0.00 C ATOM 849 C SER A 56 7.969 34.015 49.501 1.00 0.00 C ATOM 850 O SER A 56 9.100 34.494 49.587 1.00 0.00 O ATOM 851 CB SER A 56 6.978 32.128 48.201 1.00 0.00 C ATOM 852 OG SER A 56 5.588 31.999 47.948 1.00 0.00 O ATOM 0 H SER A 56 9.350 33.830 47.419 1.00 0.00 H new ATOM 0 HA SER A 56 6.526 34.211 47.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.542 31.558 47.463 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.216 31.708 49.178 1.00 0.00 H new ATOM 0 HG SER A 56 5.160 31.538 48.699 1.00 0.00 H new ATOM 858 N GLU A 57 7.177 33.834 50.553 1.00 0.00 N ATOM 859 CA GLU A 57 7.596 34.194 51.903 1.00 0.00 C ATOM 860 C GLU A 57 8.074 32.960 52.659 1.00 0.00 C ATOM 861 O GLU A 57 8.884 33.060 53.580 1.00 0.00 O ATOM 862 CB GLU A 57 6.436 34.844 52.651 1.00 0.00 C ATOM 863 CG GLU A 57 6.932 35.667 53.837 1.00 0.00 C ATOM 864 CD GLU A 57 6.401 37.091 53.748 1.00 0.00 C ATOM 865 OE1 GLU A 57 5.184 37.260 53.520 1.00 0.00 O ATOM 866 OE2 GLU A 57 7.202 38.036 53.905 1.00 0.00 O ATOM 0 H GLU A 57 6.238 33.439 50.496 1.00 0.00 H new ATOM 0 HA GLU A 57 8.421 34.903 51.835 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.875 35.485 51.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.750 34.073 53.002 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.606 35.207 54.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.022 35.678 53.851 1.00 0.00 H new ATOM 873 N GLU A 58 7.565 31.796 52.266 1.00 0.00 N ATOM 874 CA GLU A 58 7.938 30.537 52.907 1.00 0.00 C ATOM 875 C GLU A 58 9.455 30.409 52.989 1.00 0.00 C ATOM 876 O GLU A 58 10.182 31.060 52.238 1.00 0.00 O ATOM 877 CB GLU A 58 7.363 29.365 52.118 1.00 0.00 C ATOM 878 CG GLU A 58 7.698 29.481 50.634 1.00 0.00 C ATOM 879 CD GLU A 58 6.424 29.428 49.801 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.617 30.377 49.889 1.00 0.00 O ATOM 881 OE2 GLU A 58 6.236 28.439 49.063 1.00 0.00 O ATOM 0 H GLU A 58 6.892 31.697 51.506 1.00 0.00 H new ATOM 0 HA GLU A 58 7.531 30.527 53.918 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.760 28.429 52.511 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.281 29.332 52.248 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.226 30.416 50.445 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.367 28.672 50.340 1.00 0.00 H new ATOM 888 N PRO A 59 9.954 29.558 53.903 1.00 0.00 N ATOM 889 CA PRO A 59 11.398 29.340 54.076 1.00 0.00 C ATOM 890 C PRO A 59 12.002 28.577 52.901 1.00 0.00 C ATOM 891 O PRO A 59 13.211 28.629 52.670 1.00 0.00 O ATOM 892 CB PRO A 59 11.495 28.530 55.362 1.00 0.00 C ATOM 893 CG PRO A 59 10.180 27.840 55.490 1.00 0.00 C ATOM 894 CD PRO A 59 9.161 28.736 54.834 1.00 0.00 C ATOM 0 HA PRO A 59 11.952 30.278 54.122 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.313 27.812 55.314 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.686 29.175 56.220 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.206 26.863 55.007 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.931 27.671 56.538 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.401 28.158 54.308 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.641 29.353 55.567 1.00 0.00 H new ATOM 902 N LEU A 60 11.152 27.874 52.157 1.00 0.00 N ATOM 903 CA LEU A 60 11.598 27.104 51.001 1.00 0.00 C ATOM 904 C LEU A 60 12.664 26.096 51.410 1.00 0.00 C ATOM 905 O LEU A 60 13.827 26.450 51.600 1.00 0.00 O ATOM 906 CB LEU A 60 12.148 28.046 49.934 1.00 0.00 C ATOM 907 CG LEU A 60 12.571 27.282 48.683 1.00 0.00 C ATOM 908 CD1 LEU A 60 11.535 27.452 47.575 1.00 0.00 C ATOM 909 CD2 LEU A 60 13.943 27.750 48.208 1.00 0.00 C ATOM 0 H LEU A 60 10.149 27.822 52.335 1.00 0.00 H new ATOM 0 HA LEU A 60 10.747 26.559 50.593 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.390 28.784 49.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.002 28.593 50.334 1.00 0.00 H new ATOM 0 HG LEU A 60 12.636 26.223 48.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.854 26.900 46.691 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.573 27.069 47.915 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.437 28.509 47.327 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.228 27.194 47.315 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.904 28.814 47.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.679 27.577 48.993 1.00 0.00 H new ATOM 921 N GLN A 61 12.258 24.837 51.543 1.00 0.00 N ATOM 922 CA GLN A 61 13.176 23.771 51.930 1.00 0.00 C ATOM 923 C GLN A 61 12.477 22.418 51.860 1.00 0.00 C ATOM 924 O GLN A 61 12.189 21.803 52.887 1.00 0.00 O ATOM 925 CB GLN A 61 13.696 24.017 53.344 1.00 0.00 C ATOM 926 CG GLN A 61 15.160 24.451 53.328 1.00 0.00 C ATOM 927 CD GLN A 61 15.355 25.683 54.203 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.713 25.826 55.243 1.00 0.00 O ATOM 929 NE2 GLN A 61 16.246 26.573 53.781 1.00 0.00 N ATOM 0 H GLN A 61 11.298 24.530 51.388 1.00 0.00 H new ATOM 0 HA GLN A 61 14.017 23.766 51.237 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.092 24.785 53.828 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.590 23.108 53.936 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.791 23.638 53.687 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.471 24.669 52.306 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.755 26.412 52.912 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.421 27.417 54.326 1.00 0.00 H new ATOM 938 N GLY A 62 12.205 21.959 50.642 1.00 0.00 N ATOM 939 CA GLY A 62 11.538 20.677 50.437 1.00 0.00 C ATOM 940 C GLY A 62 11.250 20.448 48.957 1.00 0.00 C ATOM 941 O GLY A 62 11.894 21.042 48.092 1.00 0.00 O ATOM 0 H GLY A 62 12.436 22.456 49.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.164 19.871 50.819 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.606 20.652 51.002 1.00 0.00 H new ATOM 945 N PRO A 63 10.274 19.576 48.645 1.00 0.00 N ATOM 946 CA PRO A 63 9.902 19.268 47.259 1.00 0.00 C ATOM 947 C PRO A 63 9.021 20.351 46.648 1.00 0.00 C ATOM 948 O PRO A 63 8.543 21.244 47.348 1.00 0.00 O ATOM 949 CB PRO A 63 9.142 17.953 47.368 1.00 0.00 C ATOM 950 CG PRO A 63 8.601 17.912 48.762 1.00 0.00 C ATOM 951 CD PRO A 63 9.458 18.824 49.613 1.00 0.00 C ATOM 0 HA PRO A 63 10.774 19.208 46.608 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.337 17.904 46.634 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.799 17.104 47.178 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.561 18.238 48.779 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.622 16.894 49.151 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.846 19.492 50.219 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.083 18.254 50.300 1.00 0.00 H new ATOM 959 N PHE A 64 8.810 20.266 45.340 1.00 0.00 N ATOM 960 CA PHE A 64 7.986 21.240 44.633 1.00 0.00 C ATOM 961 C PHE A 64 7.332 20.602 43.416 1.00 0.00 C ATOM 962 O PHE A 64 8.006 20.258 42.446 1.00 0.00 O ATOM 963 CB PHE A 64 8.839 22.426 44.191 1.00 0.00 C ATOM 964 CG PHE A 64 9.587 23.075 45.327 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.970 24.040 46.105 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.896 22.707 45.592 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.661 24.637 47.146 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.587 23.304 46.633 1.00 0.00 C ATOM 969 CZ PHE A 64 10.969 24.269 47.410 1.00 0.00 C ATOM 0 H PHE A 64 9.198 19.532 44.747 1.00 0.00 H new ATOM 0 HA PHE A 64 7.207 21.588 45.312 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.553 22.091 43.438 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.199 23.169 43.715 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.949 24.327 45.900 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.378 21.954 44.986 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.179 25.390 47.752 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.608 23.017 46.839 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.508 24.735 48.222 1.00 0.00 H new ATOM 979 N ASN A 65 6.014 20.455 43.469 1.00 0.00 N ATOM 980 CA ASN A 65 5.266 19.869 42.364 1.00 0.00 C ATOM 981 C ASN A 65 5.024 20.922 41.292 1.00 0.00 C ATOM 982 O ASN A 65 4.980 22.116 41.587 1.00 0.00 O ATOM 983 CB ASN A 65 3.934 19.320 42.866 1.00 0.00 C ATOM 984 CG ASN A 65 4.137 18.529 44.151 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.536 17.365 44.119 1.00 0.00 O ATOM 986 ND2 ASN A 65 3.860 19.161 45.286 1.00 0.00 N ATOM 0 H ASN A 65 5.441 20.734 44.266 1.00 0.00 H new ATOM 0 HA ASN A 65 5.845 19.050 41.937 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.238 20.140 43.042 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.487 18.681 42.105 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.976 18.681 46.178 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.532 20.126 45.265 1.00 0.00 H new ATOM 993 N PHE A 66 4.871 20.482 40.048 1.00 0.00 N ATOM 994 CA PHE A 66 4.639 21.407 38.943 1.00 0.00 C ATOM 995 C PHE A 66 3.425 20.993 38.122 1.00 0.00 C ATOM 996 O PHE A 66 2.793 19.972 38.391 1.00 0.00 O ATOM 997 CB PHE A 66 5.865 21.463 38.042 1.00 0.00 C ATOM 998 CG PHE A 66 6.897 22.453 38.519 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.769 23.793 38.195 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.972 22.024 39.280 1.00 0.00 C ATOM 1001 CE1 PHE A 66 7.716 24.705 38.632 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.918 22.935 39.717 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.790 24.276 39.393 1.00 0.00 C ATOM 0 H PHE A 66 4.903 19.498 39.780 1.00 0.00 H new ATOM 0 HA PHE A 66 4.449 22.393 39.367 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.316 20.472 37.989 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.555 21.727 37.031 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.931 24.127 37.602 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.072 20.979 39.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.616 25.750 38.379 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.756 22.601 40.311 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.528 24.987 39.734 1.00 0.00 H new ATOM 1013 N ARG A 67 3.115 21.803 37.113 1.00 0.00 N ATOM 1014 CA ARG A 67 1.984 21.554 36.224 1.00 0.00 C ATOM 1015 C ARG A 67 1.779 22.755 35.312 1.00 0.00 C ATOM 1016 O ARG A 67 0.901 23.582 35.549 1.00 0.00 O ATOM 1017 CB ARG A 67 0.718 21.304 37.036 1.00 0.00 C ATOM 1018 CG ARG A 67 0.478 22.428 38.036 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.869 23.105 37.796 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.958 22.209 38.171 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.181 22.342 37.666 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.579 23.512 37.184 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.008 21.306 37.644 1.00 0.00 N ATOM 0 H ARG A 67 3.640 22.649 36.889 1.00 0.00 H new ATOM 0 HA ARG A 67 2.195 20.670 35.622 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.137 21.221 36.366 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.803 20.354 37.565 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.512 22.029 39.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.277 23.165 37.957 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.930 24.026 38.376 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.962 23.383 36.746 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.776 21.460 38.839 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.946 24.312 37.200 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.518 23.612 36.797 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.707 20.405 38.015 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.946 21.410 37.256 1.00 0.00 H new ATOM 1037 N PHE A 68 2.603 22.852 34.275 1.00 0.00 N ATOM 1038 CA PHE A 68 2.519 23.967 33.334 1.00 0.00 C ATOM 1039 C PHE A 68 1.371 23.769 32.359 1.00 0.00 C ATOM 1040 O PHE A 68 0.784 22.690 32.276 1.00 0.00 O ATOM 1041 CB PHE A 68 3.826 24.119 32.556 1.00 0.00 C ATOM 1042 CG PHE A 68 4.427 22.801 32.132 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.745 21.976 31.253 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.664 22.415 32.623 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.298 20.766 30.867 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.216 21.205 32.237 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.533 20.380 31.359 1.00 0.00 C ATOM 0 H PHE A 68 3.336 22.175 34.063 1.00 0.00 H new ATOM 0 HA PHE A 68 2.340 24.873 33.913 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.645 24.729 31.671 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.546 24.657 33.172 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.782 22.276 30.868 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.198 23.058 33.307 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.765 20.123 30.182 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.180 20.905 32.621 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.964 19.436 31.058 1.00 0.00 H new ATOM 1057 N LEU A 69 1.069 24.823 31.616 1.00 0.00 N ATOM 1058 CA LEU A 69 -0.001 24.790 30.626 1.00 0.00 C ATOM 1059 C LEU A 69 0.586 25.041 29.245 1.00 0.00 C ATOM 1060 O LEU A 69 0.400 26.112 28.669 1.00 0.00 O ATOM 1061 CB LEU A 69 -1.064 25.848 30.942 1.00 0.00 C ATOM 1062 CG LEU A 69 -1.226 26.062 32.449 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -2.370 27.031 32.733 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.463 24.731 33.156 1.00 0.00 C ATOM 0 H LEU A 69 1.553 25.719 31.680 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.477 23.810 30.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.790 26.791 30.469 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.019 25.543 30.514 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.304 26.497 32.835 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.470 27.171 33.809 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.160 27.991 32.261 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.299 26.625 32.332 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.576 24.903 34.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.369 24.268 32.765 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.614 24.070 32.982 1.00 0.00 H new ATOM 1076 N THR A 70 1.312 24.046 28.728 1.00 0.00 N ATOM 1077 CA THR A 70 1.963 24.135 27.415 1.00 0.00 C ATOM 1078 C THR A 70 1.108 24.903 26.411 1.00 0.00 C ATOM 1079 O THR A 70 -0.115 24.763 26.382 1.00 0.00 O ATOM 1080 CB THR A 70 2.246 22.732 26.886 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.069 21.943 26.951 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.365 22.069 27.683 1.00 0.00 C ATOM 0 H THR A 70 1.466 23.158 29.205 1.00 0.00 H new ATOM 0 HA THR A 70 2.898 24.680 27.541 1.00 0.00 H new ATOM 0 HB THR A 70 2.566 22.813 25.847 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.285 22.529 26.995 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.550 21.070 27.289 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.273 22.666 27.600 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.072 21.997 28.731 1.00 0.00 H new ATOM 1090 N GLU A 71 1.765 25.719 25.592 1.00 0.00 N ATOM 1091 CA GLU A 71 1.079 26.522 24.585 1.00 0.00 C ATOM 1092 C GLU A 71 0.111 25.662 23.780 1.00 0.00 C ATOM 1093 O GLU A 71 -1.086 25.944 23.725 1.00 0.00 O ATOM 1094 CB GLU A 71 2.100 27.169 23.652 1.00 0.00 C ATOM 1095 CG GLU A 71 3.168 27.933 24.433 1.00 0.00 C ATOM 1096 CD GLU A 71 3.858 28.945 23.527 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.150 29.717 22.848 1.00 0.00 O ATOM 1098 OE2 GLU A 71 5.107 28.963 23.498 1.00 0.00 O ATOM 0 H GLU A 71 2.777 25.842 25.607 1.00 0.00 H new ATOM 0 HA GLU A 71 0.510 27.302 25.092 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.574 26.401 23.041 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.591 27.849 22.969 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.713 28.444 25.281 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.902 27.236 24.837 1.00 0.00 H new ATOM 1105 N LYS A 72 0.635 24.612 23.157 1.00 0.00 N ATOM 1106 CA LYS A 72 -0.185 23.710 22.355 1.00 0.00 C ATOM 1107 C LYS A 72 0.081 22.262 22.744 1.00 0.00 C ATOM 1108 O LYS A 72 0.367 21.422 21.892 1.00 0.00 O ATOM 1109 CB LYS A 72 0.113 23.913 20.873 1.00 0.00 C ATOM 1110 CG LYS A 72 -1.175 23.981 20.056 1.00 0.00 C ATOM 1111 CD LYS A 72 -1.595 22.597 19.570 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.054 22.637 18.116 1.00 0.00 C ATOM 1113 NZ LYS A 72 -3.338 21.903 17.933 1.00 0.00 N ATOM 0 H LYS A 72 1.624 24.364 23.192 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.235 23.935 22.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.683 24.832 20.736 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.735 23.095 20.509 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.971 24.413 20.663 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.032 24.641 19.201 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.759 21.904 19.671 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.401 22.218 20.198 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.177 23.673 17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.287 22.197 17.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.624 21.948 16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.213 20.909 18.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.074 22.339 18.524 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.017 21.977 24.038 1.00 0.00 N ATOM 1128 CA GLY A 73 0.211 20.629 24.544 1.00 0.00 C ATOM 1129 C GLY A 73 -0.935 20.194 25.448 1.00 0.00 C ATOM 1130 O GLY A 73 -2.043 19.933 24.980 1.00 0.00 O ATOM 0 H GLY A 73 -0.253 22.662 24.756 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.308 19.933 23.710 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.150 20.596 25.097 1.00 0.00 H new ATOM 1134 N MET A 74 -0.662 20.117 26.746 1.00 0.00 N ATOM 1135 CA MET A 74 -1.670 19.713 27.719 1.00 0.00 C ATOM 1136 C MET A 74 -1.134 19.876 29.136 1.00 0.00 C ATOM 1137 O MET A 74 0.062 20.085 29.338 1.00 0.00 O ATOM 1138 CB MET A 74 -2.075 18.261 27.480 1.00 0.00 C ATOM 1139 CG MET A 74 -0.858 17.386 27.190 1.00 0.00 C ATOM 1140 SD MET A 74 -1.272 15.635 27.127 1.00 0.00 S ATOM 1141 CE MET A 74 -0.346 15.015 28.540 1.00 0.00 C ATOM 0 H MET A 74 0.251 20.329 27.149 1.00 0.00 H new ATOM 0 HA MET A 74 -2.545 20.351 27.600 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.600 17.879 28.356 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.771 18.208 26.643 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.416 17.687 26.240 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.104 17.551 27.959 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.501 13.940 28.634 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.715 15.217 28.396 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.690 15.512 29.447 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.027 19.777 30.115 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.647 19.910 31.518 1.00 0.00 C ATOM 1153 C LYS A 75 -0.998 18.624 32.012 1.00 0.00 C ATOM 1154 O LYS A 75 -1.072 17.587 31.353 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.878 20.225 32.363 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.988 21.720 32.647 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.610 22.465 31.468 1.00 0.00 C ATOM 1158 CE LYS A 75 -5.054 22.027 31.236 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.916 23.183 30.856 1.00 0.00 N ATOM 0 H LYS A 75 -3.021 19.605 29.963 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.930 20.726 31.611 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.774 19.884 31.845 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.826 19.677 33.304 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.592 21.879 33.540 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.998 22.126 32.855 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.579 23.538 31.656 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.023 22.282 30.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.086 21.273 30.450 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.445 21.561 32.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.891 22.854 30.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.903 23.891 31.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.556 23.612 29.980 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.363 18.698 33.176 1.00 0.00 N ATOM 1174 CA ASN A 76 0.300 17.538 33.763 1.00 0.00 C ATOM 1175 C ASN A 76 0.749 17.849 35.185 1.00 0.00 C ATOM 1176 O ASN A 76 0.797 19.009 35.590 1.00 0.00 O ATOM 1177 CB ASN A 76 1.503 17.139 32.913 1.00 0.00 C ATOM 1178 CG ASN A 76 1.463 15.646 32.612 1.00 0.00 C ATOM 1179 OD1 ASN A 76 1.049 14.845 33.450 1.00 0.00 O ATOM 1180 ND2 ASN A 76 1.893 15.270 31.412 1.00 0.00 N ATOM 0 H ASN A 76 -0.293 19.550 33.733 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.407 16.709 33.792 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.503 17.705 31.982 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.426 17.387 33.437 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.888 14.283 31.155 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.228 15.968 30.748 1.00 0.00 H new ATOM 1187 N VAL A 77 1.077 16.805 35.939 1.00 0.00 N ATOM 1188 CA VAL A 77 1.524 16.964 37.317 1.00 0.00 C ATOM 1189 C VAL A 77 2.809 16.179 37.546 1.00 0.00 C ATOM 1190 O VAL A 77 2.981 15.081 37.014 1.00 0.00 O ATOM 1191 CB VAL A 77 0.434 16.485 38.273 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.915 16.557 39.719 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -0.836 17.312 38.091 1.00 0.00 C ATOM 0 H VAL A 77 1.041 15.838 35.617 1.00 0.00 H new ATOM 0 HA VAL A 77 1.723 18.019 37.507 1.00 0.00 H new ATOM 0 HB VAL A 77 0.207 15.445 38.040 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.123 16.211 40.383 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.794 15.924 39.842 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.172 17.587 39.966 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.603 16.958 38.780 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.620 18.360 38.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.193 17.209 37.066 1.00 0.00 H new ATOM 1203 N PHE A 78 3.712 16.748 38.337 1.00 0.00 N ATOM 1204 CA PHE A 78 4.986 16.103 38.634 1.00 0.00 C ATOM 1205 C PHE A 78 5.289 16.176 40.125 1.00 0.00 C ATOM 1206 O PHE A 78 5.169 17.234 40.742 1.00 0.00 O ATOM 1207 CB PHE A 78 6.104 16.776 37.843 1.00 0.00 C ATOM 1208 CG PHE A 78 5.890 16.706 36.351 1.00 0.00 C ATOM 1209 CD1 PHE A 78 5.146 17.684 35.710 1.00 0.00 C ATOM 1210 CD2 PHE A 78 6.437 15.665 35.620 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.950 17.620 34.340 1.00 0.00 C ATOM 1212 CE2 PHE A 78 6.241 15.601 34.250 1.00 0.00 C ATOM 1213 CZ PHE A 78 5.497 16.578 33.611 1.00 0.00 C ATOM 0 H PHE A 78 3.585 17.656 38.785 1.00 0.00 H new ATOM 0 HA PHE A 78 4.921 15.054 38.345 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.179 17.820 38.146 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.054 16.303 38.092 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.719 18.497 36.279 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.017 14.902 36.118 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.371 18.383 33.841 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.669 14.789 33.681 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.343 16.527 32.543 1.00 0.00 H new ATOM 1223 N ASP A 79 5.685 15.044 40.697 1.00 0.00 N ATOM 1224 CA ASP A 79 6.011 14.973 42.117 1.00 0.00 C ATOM 1225 C ASP A 79 7.461 14.546 42.305 1.00 0.00 C ATOM 1226 O ASP A 79 8.083 14.011 41.387 1.00 0.00 O ATOM 1227 CB ASP A 79 5.080 13.987 42.817 1.00 0.00 C ATOM 1228 CG ASP A 79 5.296 12.580 42.274 1.00 0.00 C ATOM 1229 OD1 ASP A 79 6.156 11.857 42.820 1.00 0.00 O ATOM 1230 OD2 ASP A 79 4.604 12.203 41.305 1.00 0.00 O ATOM 0 H ASP A 79 5.788 14.161 40.198 1.00 0.00 H new ATOM 0 HA ASP A 79 5.878 15.961 42.558 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.264 14.002 43.891 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.043 14.287 42.667 1.00 0.00 H new ATOM 1235 N ASP A 80 7.996 14.788 43.496 1.00 0.00 N ATOM 1236 CA ASP A 80 9.376 14.430 43.802 1.00 0.00 C ATOM 1237 C ASP A 80 10.322 15.052 42.783 1.00 0.00 C ATOM 1238 O ASP A 80 11.289 14.424 42.352 1.00 0.00 O ATOM 1239 CB ASP A 80 9.533 12.912 43.800 1.00 0.00 C ATOM 1240 CG ASP A 80 9.198 12.347 45.174 1.00 0.00 C ATOM 1241 OD1 ASP A 80 9.600 12.962 46.184 1.00 0.00 O ATOM 1242 OD2 ASP A 80 8.534 11.291 45.238 1.00 0.00 O ATOM 0 H ASP A 80 7.495 15.231 44.266 1.00 0.00 H new ATOM 0 HA ASP A 80 9.626 14.813 44.791 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.878 12.472 43.048 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.554 12.645 43.528 1.00 0.00 H new ATOM 1247 N VAL A 81 10.034 16.292 42.401 1.00 0.00 N ATOM 1248 CA VAL A 81 10.854 17.011 41.430 1.00 0.00 C ATOM 1249 C VAL A 81 12.018 17.727 42.124 1.00 0.00 C ATOM 1250 O VAL A 81 12.925 18.226 41.460 1.00 0.00 O ATOM 1251 CB VAL A 81 9.977 18.006 40.660 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.817 18.988 39.841 1.00 0.00 C ATOM 1253 CG2 VAL A 81 9.014 17.257 39.744 1.00 0.00 C ATOM 0 H VAL A 81 9.236 16.822 42.750 1.00 0.00 H new ATOM 0 HA VAL A 81 11.282 16.298 40.726 1.00 0.00 H new ATOM 0 HB VAL A 81 9.411 18.582 41.392 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.158 19.676 39.311 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.470 19.552 40.507 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.422 18.437 39.121 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.396 17.973 39.202 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.581 16.656 39.033 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.376 16.606 40.341 1.00 0.00 H new ATOM 1263 N VAL A 82 11.996 17.775 43.456 1.00 0.00 N ATOM 1264 CA VAL A 82 13.061 18.430 44.209 1.00 0.00 C ATOM 1265 C VAL A 82 13.259 17.739 45.558 1.00 0.00 C ATOM 1266 O VAL A 82 12.297 17.512 46.292 1.00 0.00 O ATOM 1267 CB VAL A 82 12.722 19.905 44.424 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.785 20.584 45.288 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.587 20.624 43.086 1.00 0.00 C ATOM 0 H VAL A 82 11.257 17.371 44.031 1.00 0.00 H new ATOM 0 HA VAL A 82 13.987 18.358 43.638 1.00 0.00 H new ATOM 0 HB VAL A 82 11.767 19.962 44.946 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.524 21.633 45.428 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.836 20.090 46.258 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.754 20.514 44.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.346 21.673 43.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.527 20.554 42.539 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.792 20.160 42.502 1.00 0.00 H new ATOM 1279 N PRO A 83 14.514 17.403 45.908 1.00 0.00 N ATOM 1280 CA PRO A 83 14.830 16.742 47.186 1.00 0.00 C ATOM 1281 C PRO A 83 14.657 17.686 48.370 1.00 0.00 C ATOM 1282 O PRO A 83 14.202 18.818 48.210 1.00 0.00 O ATOM 1283 CB PRO A 83 16.289 16.333 47.038 1.00 0.00 C ATOM 1284 CG PRO A 83 16.855 17.277 46.031 1.00 0.00 C ATOM 1285 CD PRO A 83 15.726 17.640 45.102 1.00 0.00 C ATOM 0 HA PRO A 83 14.166 15.900 47.384 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.818 16.406 47.988 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.377 15.299 46.703 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.259 18.166 46.516 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.675 16.813 45.482 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.794 18.678 44.778 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.735 17.024 44.203 1.00 0.00 H new ATOM 1293 N GLU A 84 15.030 17.217 49.556 1.00 0.00 N ATOM 1294 CA GLU A 84 14.921 18.026 50.765 1.00 0.00 C ATOM 1295 C GLU A 84 15.725 19.310 50.607 1.00 0.00 C ATOM 1296 O GLU A 84 15.167 20.408 50.602 1.00 0.00 O ATOM 1297 CB GLU A 84 15.428 17.238 51.969 1.00 0.00 C ATOM 1298 CG GLU A 84 14.791 17.736 53.264 1.00 0.00 C ATOM 1299 CD GLU A 84 15.863 17.980 54.318 1.00 0.00 C ATOM 1300 OE1 GLU A 84 16.537 19.029 54.249 1.00 0.00 O ATOM 1301 OE2 GLU A 84 16.026 17.123 55.211 1.00 0.00 O ATOM 0 H GLU A 84 15.410 16.282 49.706 1.00 0.00 H new ATOM 0 HA GLU A 84 13.874 18.282 50.926 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.204 16.180 51.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.512 17.329 52.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.240 18.657 53.076 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.072 17.003 53.629 1.00 0.00 H new ATOM 1308 N LYS A 85 17.039 19.165 50.470 1.00 0.00 N ATOM 1309 CA LYS A 85 17.926 20.312 50.302 1.00 0.00 C ATOM 1310 C LYS A 85 18.457 20.359 48.875 1.00 0.00 C ATOM 1311 O LYS A 85 19.530 19.830 48.583 1.00 0.00 O ATOM 1312 CB LYS A 85 19.088 20.224 51.288 1.00 0.00 C ATOM 1313 CG LYS A 85 18.683 20.740 52.667 1.00 0.00 C ATOM 1314 CD LYS A 85 19.584 21.887 53.114 1.00 0.00 C ATOM 1315 CE LYS A 85 20.584 21.427 54.171 1.00 0.00 C ATOM 1316 NZ LYS A 85 21.087 22.574 54.979 1.00 0.00 N ATOM 0 H LYS A 85 17.515 18.263 50.472 1.00 0.00 H new ATOM 0 HA LYS A 85 17.362 21.224 50.499 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.423 19.190 51.368 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.931 20.804 50.913 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.647 21.077 52.642 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.737 19.928 53.392 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.120 22.288 52.254 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.974 22.696 53.515 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.111 20.697 54.828 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.422 20.925 53.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.765 22.228 55.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.559 23.258 54.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.289 23.037 55.459 1.00 0.00 H new ATOM 1330 N TYR A 86 17.695 20.989 47.988 1.00 0.00 N ATOM 1331 CA TYR A 86 18.081 21.101 46.585 1.00 0.00 C ATOM 1332 C TYR A 86 19.485 21.675 46.456 1.00 0.00 C ATOM 1333 O TYR A 86 19.932 22.452 47.300 1.00 0.00 O ATOM 1334 CB TYR A 86 17.087 21.989 45.841 1.00 0.00 C ATOM 1335 CG TYR A 86 17.159 23.436 46.261 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.123 24.270 45.720 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.258 23.934 47.187 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.185 25.599 46.104 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.322 25.264 47.571 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.284 26.089 47.028 1.00 0.00 C ATOM 1341 OH TYR A 86 17.346 27.409 47.409 1.00 0.00 O ATOM 0 H TYR A 86 16.804 21.431 48.216 1.00 0.00 H new ATOM 0 HA TYR A 86 18.073 20.104 46.145 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.276 21.918 44.770 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.077 21.617 46.012 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.827 23.884 44.998 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.505 23.286 47.610 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.936 26.250 45.682 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.620 25.653 48.294 1.00 0.00 H new ATOM 0 HH TYR A 86 16.641 27.594 48.065 1.00 0.00 H new ATOM 1351 N THR A 87 20.174 21.289 45.387 1.00 0.00 N ATOM 1352 CA THR A 87 21.529 21.762 45.130 1.00 0.00 C ATOM 1353 C THR A 87 21.591 22.452 43.773 1.00 0.00 C ATOM 1354 O THR A 87 21.631 21.794 42.733 1.00 0.00 O ATOM 1355 CB THR A 87 22.507 20.591 45.166 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.343 19.859 46.371 1.00 0.00 O ATOM 1357 CG2 THR A 87 23.947 21.081 45.044 1.00 0.00 C ATOM 0 H THR A 87 19.814 20.646 44.682 1.00 0.00 H new ATOM 0 HA THR A 87 21.807 22.478 45.904 1.00 0.00 H new ATOM 0 HB THR A 87 22.294 19.940 44.318 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.973 19.108 46.386 1.00 0.00 H new ATOM 0 HG21 THR A 87 24.625 20.228 45.072 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.072 21.613 44.101 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.174 21.753 45.872 1.00 0.00 H new ATOM 1365 N ILE A 88 21.590 23.782 43.791 1.00 0.00 N ATOM 1366 CA ILE A 88 21.639 24.577 42.563 1.00 0.00 C ATOM 1367 C ILE A 88 22.675 24.019 41.591 1.00 0.00 C ATOM 1368 O ILE A 88 23.871 24.005 41.882 1.00 0.00 O ATOM 1369 CB ILE A 88 21.970 26.026 42.903 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.920 26.605 43.849 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.063 26.869 41.637 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.525 26.943 45.208 1.00 0.00 C ATOM 0 H ILE A 88 21.556 24.336 44.647 1.00 0.00 H new ATOM 0 HA ILE A 88 20.662 24.530 42.082 1.00 0.00 H new ATOM 0 HB ILE A 88 22.939 26.047 43.402 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.486 27.502 43.408 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.109 25.889 43.978 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.300 27.899 41.903 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.846 26.471 40.992 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.109 26.840 41.110 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.752 27.353 45.858 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.936 26.039 45.658 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.319 27.678 45.080 1.00 0.00 H new ATOM 1384 N GLY A 89 22.205 23.562 40.434 1.00 0.00 N ATOM 1385 CA GLY A 89 23.086 23.005 39.414 1.00 0.00 C ATOM 1386 C GLY A 89 22.942 21.490 39.343 1.00 0.00 C ATOM 1387 O GLY A 89 23.921 20.757 39.480 1.00 0.00 O ATOM 0 H GLY A 89 21.217 23.567 40.180 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.850 23.443 38.444 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.120 23.266 39.638 1.00 0.00 H new ATOM 1391 N ALA A 90 21.715 21.024 39.128 1.00 0.00 N ATOM 1392 CA ALA A 90 21.447 19.592 39.039 1.00 0.00 C ATOM 1393 C ALA A 90 19.997 19.338 38.644 1.00 0.00 C ATOM 1394 O ALA A 90 19.090 20.048 39.078 1.00 0.00 O ATOM 1395 CB ALA A 90 21.740 18.925 40.380 1.00 0.00 C ATOM 0 H ALA A 90 20.892 21.616 39.012 1.00 0.00 H new ATOM 0 HA ALA A 90 22.095 19.167 38.273 1.00 0.00 H new ATOM 0 HB1 ALA A 90 21.538 17.856 40.307 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.787 19.079 40.642 1.00 0.00 H new ATOM 0 HB3 ALA A 90 21.105 19.362 41.150 1.00 0.00 H new ATOM 1401 N THR A 91 19.786 18.311 37.825 1.00 0.00 N ATOM 1402 CA THR A 91 18.445 17.949 37.374 1.00 0.00 C ATOM 1403 C THR A 91 17.803 16.995 38.372 1.00 0.00 C ATOM 1404 O THR A 91 18.435 16.040 38.823 1.00 0.00 O ATOM 1405 CB THR A 91 18.515 17.291 35.999 1.00 0.00 C ATOM 1406 OG1 THR A 91 19.353 18.048 35.140 1.00 0.00 O ATOM 1407 CG2 THR A 91 17.121 17.162 35.391 1.00 0.00 C ATOM 0 H THR A 91 20.528 17.714 37.460 1.00 0.00 H new ATOM 0 HA THR A 91 17.840 18.853 37.303 1.00 0.00 H new ATOM 0 HB THR A 91 18.934 16.291 36.116 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.394 17.618 34.260 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.194 16.690 34.411 1.00 0.00 H new ATOM 0 HG22 THR A 91 16.495 16.551 36.042 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.677 18.152 35.285 1.00 0.00 H new ATOM 1415 N TYR A 92 16.552 17.264 38.726 1.00 0.00 N ATOM 1416 CA TYR A 92 15.837 16.435 39.684 1.00 0.00 C ATOM 1417 C TYR A 92 14.620 15.775 39.037 1.00 0.00 C ATOM 1418 O TYR A 92 14.701 14.642 38.565 1.00 0.00 O ATOM 1419 CB TYR A 92 15.414 17.292 40.869 1.00 0.00 C ATOM 1420 CG TYR A 92 16.588 17.768 41.687 1.00 0.00 C ATOM 1421 CD1 TYR A 92 17.353 16.860 42.399 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.908 19.115 41.719 1.00 0.00 C ATOM 1423 CE1 TYR A 92 18.435 17.300 43.143 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.990 19.552 42.464 1.00 0.00 C ATOM 1425 CZ TYR A 92 18.748 18.643 43.172 1.00 0.00 C ATOM 1426 OH TYR A 92 19.824 19.079 43.911 1.00 0.00 O ATOM 0 H TYR A 92 16.013 18.050 38.363 1.00 0.00 H new ATOM 0 HA TYR A 92 16.498 15.640 40.028 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.854 18.154 40.508 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.741 16.718 41.506 1.00 0.00 H new ATOM 0 HD1 TYR A 92 17.106 15.809 42.374 1.00 0.00 H new ATOM 0 HD2 TYR A 92 16.313 19.825 41.163 1.00 0.00 H new ATOM 0 HE1 TYR A 92 19.033 16.593 43.699 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.240 20.602 42.491 1.00 0.00 H new ATOM 0 HH TYR A 92 20.503 18.374 43.947 1.00 0.00 H new ATOM 1436 N ALA A 93 13.493 16.484 39.020 1.00 0.00 N ATOM 1437 CA ALA A 93 12.262 15.958 38.435 1.00 0.00 C ATOM 1438 C ALA A 93 11.960 14.569 38.989 1.00 0.00 C ATOM 1439 O ALA A 93 12.709 14.044 39.813 1.00 0.00 O ATOM 1440 CB ALA A 93 12.385 15.899 36.916 1.00 0.00 C ATOM 0 H ALA A 93 13.407 17.425 39.405 1.00 0.00 H new ATOM 0 HA ALA A 93 11.441 16.625 38.698 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.462 15.505 36.491 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.566 16.901 36.526 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.216 15.248 36.643 1.00 0.00 H new ATOM 1446 N PRO A 94 10.851 13.954 38.544 1.00 0.00 N ATOM 1447 CA PRO A 94 10.450 12.620 39.002 1.00 0.00 C ATOM 1448 C PRO A 94 11.226 11.514 38.296 1.00 0.00 C ATOM 1449 O PRO A 94 10.952 11.264 37.103 1.00 0.00 O ATOM 1450 CB PRO A 94 8.970 12.545 38.659 1.00 0.00 C ATOM 1451 CG PRO A 94 8.765 13.505 37.529 1.00 0.00 C ATOM 1452 CD PRO A 94 9.900 14.506 37.565 1.00 0.00 C ATOM 0 HA PRO A 94 10.652 12.477 40.064 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.686 11.533 38.369 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.355 12.815 39.518 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.751 12.977 36.576 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.805 14.012 37.627 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.361 14.618 36.584 1.00 0.00 H new ATOM 0 HD3 PRO A 94 9.549 15.493 37.866 1.00 0.00 H new TER 1460 PRO A 94