USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 606 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 46 TYR OH : rot -71:sc= 0.222 USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.948 K(o=-0.73,f=-1.6) USER MOD Set 2.1: A 45 SER OG : rot 144:sc= 0.426 USER MOD Set 2.2: A 49 MET CE :methyl 146:sc= -5.99! (180deg=-8.85!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= -0.0566 USER MOD Set 3.2: A 22 HIS :FLIP no HE2:sc= -0.353 F(o=-1.1,f=-0.41) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.093 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.102 USER MOD Single : A 3 SER OG : rot 48:sc= 1.3 USER MOD Single : A 5 SER OG : rot 35:sc= 0.945 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 32:sc= 1.23 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00416 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -163:sc= -0.0978 (180deg=-0.54) USER MOD Single : A 34 ASN : amide:sc=-0.000887 K(o=-0.00089,f=-1.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.866 K(o=-0.87,f=-7.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.436 (180deg=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -3.41! C(o=-3.4!,f=-4.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0634 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.382 43.106 -81.003 1.00 0.00 N ATOM 2 CA GLY A 1 27.688 42.242 -79.878 1.00 0.00 C ATOM 3 C GLY A 1 28.316 42.994 -78.723 1.00 0.00 C ATOM 4 O GLY A 1 28.415 44.221 -78.752 1.00 0.00 O ATOM 0 H1 GLY A 1 26.369 43.037 -81.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.616 44.090 -80.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.941 42.812 -81.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.773 41.757 -79.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.365 41.452 -80.204 1.00 0.00 H new ATOM 8 N SER A 2 28.741 42.259 -77.700 1.00 0.00 N ATOM 9 CA SER A 2 29.358 42.865 -76.526 1.00 0.00 C ATOM 10 C SER A 2 29.876 41.794 -75.571 1.00 0.00 C ATOM 11 O SER A 2 29.650 40.602 -75.776 1.00 0.00 O ATOM 12 CB SER A 2 28.355 43.767 -75.805 1.00 0.00 C ATOM 13 OG SER A 2 28.990 44.529 -74.793 1.00 0.00 O ATOM 0 H SER A 2 28.669 41.242 -77.661 1.00 0.00 H new ATOM 0 HA SER A 2 30.202 43.468 -76.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.880 44.435 -76.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.565 43.159 -75.365 1.00 0.00 H new ATOM 0 HG SER A 2 28.328 45.098 -74.348 1.00 0.00 H new ATOM 19 N SER A 3 30.572 42.229 -74.525 1.00 0.00 N ATOM 20 CA SER A 3 31.126 41.309 -73.539 1.00 0.00 C ATOM 21 C SER A 3 31.653 42.067 -72.325 1.00 0.00 C ATOM 22 O SER A 3 31.608 43.296 -72.278 1.00 0.00 O ATOM 23 CB SER A 3 32.247 40.476 -74.161 1.00 0.00 C ATOM 24 OG SER A 3 31.730 39.323 -74.804 1.00 0.00 O ATOM 0 H SER A 3 30.765 43.213 -74.339 1.00 0.00 H new ATOM 0 HA SER A 3 30.328 40.643 -73.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.798 41.082 -74.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.955 40.178 -73.388 1.00 0.00 H new ATOM 0 HG SER A 3 30.972 39.577 -75.371 1.00 0.00 H new ATOM 30 N GLY A 4 32.154 41.324 -71.342 1.00 0.00 N ATOM 31 CA GLY A 4 32.684 41.942 -70.141 1.00 0.00 C ATOM 32 C GLY A 4 33.280 40.930 -69.183 1.00 0.00 C ATOM 33 O GLY A 4 33.252 39.727 -69.443 1.00 0.00 O ATOM 0 H GLY A 4 32.202 40.305 -71.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.447 42.670 -70.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.888 42.490 -69.637 1.00 0.00 H new ATOM 37 N SER A 5 33.824 41.417 -68.073 1.00 0.00 N ATOM 38 CA SER A 5 34.436 40.547 -67.075 1.00 0.00 C ATOM 39 C SER A 5 34.601 41.277 -65.745 1.00 0.00 C ATOM 40 O SER A 5 34.308 42.467 -65.638 1.00 0.00 O ATOM 41 CB SER A 5 35.796 40.048 -67.568 1.00 0.00 C ATOM 42 OG SER A 5 35.656 38.870 -68.343 1.00 0.00 O ATOM 0 H SER A 5 33.854 42.410 -67.842 1.00 0.00 H new ATOM 0 HA SER A 5 33.777 39.692 -66.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 36.278 40.824 -68.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 36.446 39.851 -66.715 1.00 0.00 H new ATOM 0 HG SER A 5 34.819 38.910 -68.851 1.00 0.00 H new ATOM 48 N SER A 6 35.072 40.553 -64.735 1.00 0.00 N ATOM 49 CA SER A 6 35.273 41.129 -63.411 1.00 0.00 C ATOM 50 C SER A 6 35.946 40.126 -62.478 1.00 0.00 C ATOM 51 O SER A 6 35.663 38.930 -62.526 1.00 0.00 O ATOM 52 CB SER A 6 33.936 41.576 -62.817 1.00 0.00 C ATOM 53 OG SER A 6 34.130 42.490 -61.752 1.00 0.00 O ATOM 0 H SER A 6 35.321 39.567 -64.808 1.00 0.00 H new ATOM 0 HA SER A 6 35.925 41.997 -63.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.327 42.041 -63.593 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.385 40.706 -62.458 1.00 0.00 H new ATOM 0 HG SER A 6 33.260 42.761 -61.391 1.00 0.00 H new ATOM 59 N GLY A 7 36.842 40.624 -61.631 1.00 0.00 N ATOM 60 CA GLY A 7 37.542 39.760 -60.699 1.00 0.00 C ATOM 61 C GLY A 7 37.347 40.183 -59.257 1.00 0.00 C ATOM 62 O GLY A 7 36.504 41.028 -58.959 1.00 0.00 O ATOM 0 H GLY A 7 37.095 41.610 -61.574 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.191 38.736 -60.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 38.606 39.763 -60.935 1.00 0.00 H new ATOM 66 N SER A 8 38.128 39.592 -58.358 1.00 0.00 N ATOM 67 CA SER A 8 38.033 39.909 -56.937 1.00 0.00 C ATOM 68 C SER A 8 39.159 39.239 -56.155 1.00 0.00 C ATOM 69 O SER A 8 39.274 38.014 -56.110 1.00 0.00 O ATOM 70 CB SER A 8 36.678 39.465 -56.383 1.00 0.00 C ATOM 71 OG SER A 8 35.715 40.498 -56.502 1.00 0.00 O ATOM 0 H SER A 8 38.833 38.892 -58.588 1.00 0.00 H new ATOM 0 HA SER A 8 38.127 40.989 -56.824 1.00 0.00 H new ATOM 0 HB2 SER A 8 36.335 38.580 -56.919 1.00 0.00 H new ATOM 0 HB3 SER A 8 36.785 39.182 -55.336 1.00 0.00 H new ATOM 0 HG SER A 8 35.905 41.032 -57.302 1.00 0.00 H new ATOM 77 N PRO A 9 40.011 40.061 -55.524 1.00 0.00 N ATOM 78 CA PRO A 9 41.143 39.572 -54.732 1.00 0.00 C ATOM 79 C PRO A 9 40.696 38.887 -53.444 1.00 0.00 C ATOM 80 O PRO A 9 39.505 38.661 -53.232 1.00 0.00 O ATOM 81 CB PRO A 9 41.930 40.845 -54.414 1.00 0.00 C ATOM 82 CG PRO A 9 40.922 41.940 -54.478 1.00 0.00 C ATOM 83 CD PRO A 9 39.933 41.531 -55.535 1.00 0.00 C ATOM 0 HA PRO A 9 41.721 38.820 -55.269 1.00 0.00 H new ATOM 0 HB2 PRO A 9 42.392 40.789 -53.428 1.00 0.00 H new ATOM 0 HB3 PRO A 9 42.733 41.004 -55.133 1.00 0.00 H new ATOM 0 HG2 PRO A 9 40.430 42.075 -53.515 1.00 0.00 H new ATOM 0 HG3 PRO A 9 41.393 42.890 -54.731 1.00 0.00 H new ATOM 0 HD2 PRO A 9 38.928 41.882 -55.302 1.00 0.00 H new ATOM 0 HD3 PRO A 9 40.195 41.940 -56.511 1.00 0.00 H new ATOM 91 N GLU A 10 41.660 38.559 -52.589 1.00 0.00 N ATOM 92 CA GLU A 10 41.364 37.899 -51.323 1.00 0.00 C ATOM 93 C GLU A 10 42.518 38.068 -50.339 1.00 0.00 C ATOM 94 O GLU A 10 43.621 38.459 -50.720 1.00 0.00 O ATOM 95 CB GLU A 10 41.087 36.411 -51.550 1.00 0.00 C ATOM 96 CG GLU A 10 42.293 35.638 -52.056 1.00 0.00 C ATOM 97 CD GLU A 10 41.957 34.205 -52.419 1.00 0.00 C ATOM 98 OE1 GLU A 10 41.330 33.991 -53.478 1.00 0.00 O ATOM 99 OE2 GLU A 10 42.322 33.296 -51.644 1.00 0.00 O ATOM 0 H GLU A 10 42.651 38.739 -52.750 1.00 0.00 H new ATOM 0 HA GLU A 10 40.475 38.366 -50.898 1.00 0.00 H new ATOM 0 HB2 GLU A 10 40.747 35.966 -50.615 1.00 0.00 H new ATOM 0 HB3 GLU A 10 40.272 36.307 -52.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 42.703 36.144 -52.930 1.00 0.00 H new ATOM 0 HG3 GLU A 10 43.070 35.643 -51.291 1.00 0.00 H new ATOM 106 N TYR A 11 42.254 37.773 -49.071 1.00 0.00 N ATOM 107 CA TYR A 11 43.268 37.895 -48.030 1.00 0.00 C ATOM 108 C TYR A 11 42.759 37.336 -46.705 1.00 0.00 C ATOM 109 O TYR A 11 41.587 36.985 -46.575 1.00 0.00 O ATOM 110 CB TYR A 11 43.676 39.359 -47.856 1.00 0.00 C ATOM 111 CG TYR A 11 44.807 39.785 -48.765 1.00 0.00 C ATOM 112 CD1 TYR A 11 46.036 39.140 -48.726 1.00 0.00 C ATOM 113 CD2 TYR A 11 44.644 40.832 -49.664 1.00 0.00 C ATOM 114 CE1 TYR A 11 47.072 39.526 -49.555 1.00 0.00 C ATOM 115 CE2 TYR A 11 45.674 41.224 -50.497 1.00 0.00 C ATOM 116 CZ TYR A 11 46.886 40.569 -50.438 1.00 0.00 C ATOM 117 OH TYR A 11 47.915 40.956 -51.266 1.00 0.00 O ATOM 0 H TYR A 11 41.346 37.448 -48.739 1.00 0.00 H new ATOM 0 HA TYR A 11 44.139 37.316 -48.337 1.00 0.00 H new ATOM 0 HB2 TYR A 11 42.810 39.994 -48.045 1.00 0.00 H new ATOM 0 HB3 TYR A 11 43.972 39.524 -46.820 1.00 0.00 H new ATOM 0 HD1 TYR A 11 46.185 38.323 -48.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 43.696 41.348 -49.712 1.00 0.00 H new ATOM 0 HE1 TYR A 11 48.022 39.014 -49.512 1.00 0.00 H new ATOM 0 HE2 TYR A 11 45.531 42.039 -51.191 1.00 0.00 H new ATOM 0 HH TYR A 11 47.620 41.704 -51.827 1.00 0.00 H new ATOM 127 N GLY A 12 43.651 37.257 -45.722 1.00 0.00 N ATOM 128 CA GLY A 12 43.275 36.740 -44.419 1.00 0.00 C ATOM 129 C GLY A 12 44.254 37.140 -43.333 1.00 0.00 C ATOM 130 O GLY A 12 45.193 37.896 -43.581 1.00 0.00 O ATOM 0 H GLY A 12 44.627 37.542 -45.805 1.00 0.00 H new ATOM 0 HA2 GLY A 12 42.281 37.104 -44.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 43.214 35.653 -44.467 1.00 0.00 H new ATOM 134 N MET A 13 44.034 36.632 -42.124 1.00 0.00 N ATOM 135 CA MET A 13 44.905 36.941 -40.996 1.00 0.00 C ATOM 136 C MET A 13 44.713 35.931 -39.869 1.00 0.00 C ATOM 137 O MET A 13 43.605 35.464 -39.603 1.00 0.00 O ATOM 138 CB MET A 13 44.627 38.355 -40.482 1.00 0.00 C ATOM 139 CG MET A 13 45.414 39.432 -41.211 1.00 0.00 C ATOM 140 SD MET A 13 45.451 40.994 -40.311 1.00 0.00 S ATOM 141 CE MET A 13 45.326 42.165 -41.661 1.00 0.00 C ATOM 0 H MET A 13 43.261 36.005 -41.901 1.00 0.00 H new ATOM 0 HA MET A 13 45.938 36.884 -41.340 1.00 0.00 H new ATOM 0 HB2 MET A 13 43.562 38.566 -40.580 1.00 0.00 H new ATOM 0 HB3 MET A 13 44.864 38.400 -39.419 1.00 0.00 H new ATOM 0 HG2 MET A 13 46.435 39.085 -41.371 1.00 0.00 H new ATOM 0 HG3 MET A 13 44.975 39.594 -42.195 1.00 0.00 H new ATOM 0 HE1 MET A 13 45.336 43.180 -41.264 1.00 0.00 H new ATOM 0 HE2 MET A 13 46.170 42.032 -42.338 1.00 0.00 H new ATOM 0 HE3 MET A 13 44.396 41.997 -42.204 1.00 0.00 H new ATOM 151 N PRO A 14 45.816 35.585 -39.190 1.00 0.00 N ATOM 152 CA PRO A 14 45.795 34.627 -38.080 1.00 0.00 C ATOM 153 C PRO A 14 45.092 35.184 -36.847 1.00 0.00 C ATOM 154 O PRO A 14 44.580 36.303 -36.865 1.00 0.00 O ATOM 155 CB PRO A 14 47.278 34.389 -37.788 1.00 0.00 C ATOM 156 CG PRO A 14 47.961 35.624 -38.266 1.00 0.00 C ATOM 157 CD PRO A 14 47.170 36.102 -39.452 1.00 0.00 C ATOM 0 HA PRO A 14 45.246 33.720 -38.335 1.00 0.00 H new ATOM 0 HB2 PRO A 14 47.451 34.227 -36.724 1.00 0.00 H new ATOM 0 HB3 PRO A 14 47.647 33.506 -38.309 1.00 0.00 H new ATOM 0 HG2 PRO A 14 47.988 36.383 -37.484 1.00 0.00 H new ATOM 0 HG3 PRO A 14 48.994 35.416 -38.544 1.00 0.00 H new ATOM 0 HD2 PRO A 14 47.177 37.189 -39.528 1.00 0.00 H new ATOM 0 HD3 PRO A 14 47.574 35.714 -40.387 1.00 0.00 H new ATOM 165 N SER A 15 45.071 34.396 -35.777 1.00 0.00 N ATOM 166 CA SER A 15 44.427 34.810 -34.535 1.00 0.00 C ATOM 167 C SER A 15 45.076 34.128 -33.334 1.00 0.00 C ATOM 168 O SER A 15 45.972 33.298 -33.486 1.00 0.00 O ATOM 169 CB SER A 15 42.934 34.482 -34.577 1.00 0.00 C ATOM 170 OG SER A 15 42.277 35.223 -35.590 1.00 0.00 O ATOM 0 H SER A 15 45.492 33.468 -35.745 1.00 0.00 H new ATOM 0 HA SER A 15 44.552 35.888 -34.430 1.00 0.00 H new ATOM 0 HB2 SER A 15 42.798 33.415 -34.756 1.00 0.00 H new ATOM 0 HB3 SER A 15 42.483 34.703 -33.610 1.00 0.00 H new ATOM 0 HG SER A 15 41.324 34.994 -35.597 1.00 0.00 H new ATOM 176 N VAL A 16 44.616 34.487 -32.139 1.00 0.00 N ATOM 177 CA VAL A 16 45.150 33.910 -30.911 1.00 0.00 C ATOM 178 C VAL A 16 44.072 33.809 -29.838 1.00 0.00 C ATOM 179 O VAL A 16 43.114 34.584 -29.828 1.00 0.00 O ATOM 180 CB VAL A 16 46.325 34.742 -30.365 1.00 0.00 C ATOM 181 CG1 VAL A 16 45.861 36.141 -29.991 1.00 0.00 C ATOM 182 CG2 VAL A 16 46.962 34.046 -29.171 1.00 0.00 C ATOM 0 H VAL A 16 43.876 35.174 -31.996 1.00 0.00 H new ATOM 0 HA VAL A 16 45.507 32.910 -31.160 1.00 0.00 H new ATOM 0 HB VAL A 16 47.078 34.832 -31.148 1.00 0.00 H new ATOM 0 HG11 VAL A 16 46.705 36.714 -29.607 1.00 0.00 H new ATOM 0 HG12 VAL A 16 45.456 36.638 -30.873 1.00 0.00 H new ATOM 0 HG13 VAL A 16 45.089 36.075 -29.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 47.791 34.648 -28.798 1.00 0.00 H new ATOM 0 HG22 VAL A 16 46.219 33.923 -28.383 1.00 0.00 H new ATOM 0 HG23 VAL A 16 47.333 33.067 -29.476 1.00 0.00 H new ATOM 192 N THR A 17 44.233 32.848 -28.933 1.00 0.00 N ATOM 193 CA THR A 17 43.273 32.644 -27.856 1.00 0.00 C ATOM 194 C THR A 17 43.931 31.977 -26.653 1.00 0.00 C ATOM 195 O THR A 17 44.551 30.921 -26.778 1.00 0.00 O ATOM 196 CB THR A 17 42.083 31.783 -28.319 1.00 0.00 C ATOM 197 OG1 THR A 17 41.123 31.666 -27.262 1.00 0.00 O ATOM 198 CG2 THR A 17 42.549 30.399 -28.744 1.00 0.00 C ATOM 0 H THR A 17 45.020 32.199 -28.925 1.00 0.00 H new ATOM 0 HA THR A 17 42.907 33.629 -27.567 1.00 0.00 H new ATOM 0 HB THR A 17 41.621 32.272 -29.177 1.00 0.00 H new ATOM 0 HG1 THR A 17 40.368 31.119 -27.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 41.691 29.809 -29.067 1.00 0.00 H new ATOM 0 HG22 THR A 17 43.257 30.490 -29.568 1.00 0.00 H new ATOM 0 HG23 THR A 17 43.033 29.904 -27.902 1.00 0.00 H new ATOM 206 N PHE A 18 43.790 32.599 -25.487 1.00 0.00 N ATOM 207 CA PHE A 18 44.372 32.065 -24.261 1.00 0.00 C ATOM 208 C PHE A 18 43.364 31.195 -23.516 1.00 0.00 C ATOM 209 O PHE A 18 42.193 31.125 -23.887 1.00 0.00 O ATOM 210 CB PHE A 18 44.844 33.206 -23.357 1.00 0.00 C ATOM 211 CG PHE A 18 43.742 33.824 -22.545 1.00 0.00 C ATOM 212 CD1 PHE A 18 42.830 34.685 -23.134 1.00 0.00 C ATOM 213 CD2 PHE A 18 43.618 33.544 -21.194 1.00 0.00 C ATOM 214 CE1 PHE A 18 41.814 35.255 -22.390 1.00 0.00 C ATOM 215 CE2 PHE A 18 42.604 34.111 -20.445 1.00 0.00 C ATOM 216 CZ PHE A 18 41.701 34.968 -21.044 1.00 0.00 C ATOM 0 H PHE A 18 43.278 33.473 -25.365 1.00 0.00 H new ATOM 0 HA PHE A 18 45.228 31.448 -24.533 1.00 0.00 H new ATOM 0 HB2 PHE A 18 45.614 32.830 -22.683 1.00 0.00 H new ATOM 0 HB3 PHE A 18 45.308 33.977 -23.972 1.00 0.00 H new ATOM 0 HD1 PHE A 18 42.914 34.913 -24.186 1.00 0.00 H new ATOM 0 HD2 PHE A 18 44.322 32.875 -20.721 1.00 0.00 H new ATOM 0 HE1 PHE A 18 41.109 35.924 -22.861 1.00 0.00 H new ATOM 0 HE2 PHE A 18 42.518 33.884 -19.393 1.00 0.00 H new ATOM 0 HZ PHE A 18 40.908 35.413 -20.461 1.00 0.00 H new ATOM 226 N GLY A 19 43.829 30.531 -22.462 1.00 0.00 N ATOM 227 CA GLY A 19 42.957 29.673 -21.681 1.00 0.00 C ATOM 228 C GLY A 19 43.345 29.632 -20.216 1.00 0.00 C ATOM 229 O GLY A 19 44.518 29.469 -19.882 1.00 0.00 O ATOM 0 H GLY A 19 44.794 30.572 -22.135 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.929 30.025 -21.772 1.00 0.00 H new ATOM 0 HA3 GLY A 19 42.985 28.663 -22.090 1.00 0.00 H new ATOM 233 N SER A 20 42.357 29.780 -19.339 1.00 0.00 N ATOM 234 CA SER A 20 42.601 29.764 -17.902 1.00 0.00 C ATOM 235 C SER A 20 41.330 29.403 -17.139 1.00 0.00 C ATOM 236 O SER A 20 40.265 29.972 -17.379 1.00 0.00 O ATOM 237 CB SER A 20 43.120 31.126 -17.436 1.00 0.00 C ATOM 238 OG SER A 20 42.063 32.062 -17.320 1.00 0.00 O ATOM 0 H SER A 20 41.380 29.912 -19.599 1.00 0.00 H new ATOM 0 HA SER A 20 43.356 29.005 -17.695 1.00 0.00 H new ATOM 0 HB2 SER A 20 43.621 31.018 -16.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 43.862 31.497 -18.143 1.00 0.00 H new ATOM 0 HG SER A 20 42.420 32.923 -17.019 1.00 0.00 H new ATOM 244 N VAL A 21 41.451 28.453 -16.217 1.00 0.00 N ATOM 245 CA VAL A 21 40.313 28.016 -15.417 1.00 0.00 C ATOM 246 C VAL A 21 39.940 29.063 -14.374 1.00 0.00 C ATOM 247 O VAL A 21 40.752 29.918 -14.018 1.00 0.00 O ATOM 248 CB VAL A 21 40.606 26.681 -14.706 1.00 0.00 C ATOM 249 CG1 VAL A 21 40.879 25.583 -15.723 1.00 0.00 C ATOM 250 CG2 VAL A 21 41.778 26.835 -13.748 1.00 0.00 C ATOM 0 H VAL A 21 42.325 27.972 -16.006 1.00 0.00 H new ATOM 0 HA VAL A 21 39.478 27.878 -16.104 1.00 0.00 H new ATOM 0 HB VAL A 21 39.727 26.396 -14.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 41.084 24.648 -15.202 1.00 0.00 H new ATOM 0 HG12 VAL A 21 40.008 25.457 -16.366 1.00 0.00 H new ATOM 0 HG13 VAL A 21 41.742 25.856 -16.331 1.00 0.00 H new ATOM 0 HG21 VAL A 21 41.972 25.883 -13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 42.664 27.142 -14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 21 41.539 27.590 -12.999 1.00 0.00 H new ATOM 260 N HIS A 22 38.705 28.991 -13.886 1.00 0.00 N ATOM 261 CA HIS A 22 38.224 29.933 -12.881 1.00 0.00 C ATOM 262 C HIS A 22 37.403 29.216 -11.814 1.00 0.00 C ATOM 263 O HIS A 22 36.785 28.181 -12.062 1.00 0.00 O ATOM 264 CB HIS A 22 37.382 31.027 -13.540 1.00 0.00 C ATOM 265 CG HIS A 22 38.113 31.785 -14.605 1.00 0.00 C ATOM 266 ND1 HIS A 22 39.372 32.281 -14.634 1.00 0.00 N flip ATOM 267 CD2 HIS A 22 37.545 32.115 -15.818 1.00 0.00 C flip ATOM 268 CE1 HIS A 22 39.541 32.893 -15.851 1.00 0.00 C flip ATOM 269 NE2 HIS A 22 38.424 32.778 -16.547 1.00 0.00 N flip ATOM 0 H HIS A 22 38.020 28.291 -14.170 1.00 0.00 H new ATOM 0 HA HIS A 22 39.090 30.390 -12.402 1.00 0.00 H new ATOM 0 HB2 HIS A 22 36.490 30.576 -13.974 1.00 0.00 H new ATOM 0 HB3 HIS A 22 37.045 31.726 -12.774 1.00 0.00 H new ATOM 0 HD1 HIS A 22 40.066 32.213 -13.890 1.00 0.00 H new ATOM 0 HD2 HIS A 22 36.539 31.869 -16.124 1.00 0.00 H new ATOM 0 HE1 HIS A 22 40.441 33.388 -16.185 1.00 0.00 H new ATOM 278 N PRO A 23 37.395 29.778 -10.596 1.00 0.00 N ATOM 279 CA PRO A 23 36.654 29.209 -9.466 1.00 0.00 C ATOM 280 C PRO A 23 35.145 29.335 -9.641 1.00 0.00 C ATOM 281 O PRO A 23 34.635 30.406 -9.969 1.00 0.00 O ATOM 282 CB PRO A 23 37.126 30.047 -8.275 1.00 0.00 C ATOM 283 CG PRO A 23 37.555 31.344 -8.870 1.00 0.00 C ATOM 284 CD PRO A 23 38.109 31.013 -10.228 1.00 0.00 C ATOM 0 HA PRO A 23 36.839 28.141 -9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 23 36.325 30.190 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 23 37.948 29.561 -7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 23 36.715 32.034 -8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 23 38.308 31.828 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 23 37.923 31.813 -10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 23 39.188 30.859 -10.195 1.00 0.00 H new ATOM 292 N SER A 24 34.435 28.233 -9.419 1.00 0.00 N ATOM 293 CA SER A 24 32.983 28.219 -9.555 1.00 0.00 C ATOM 294 C SER A 24 32.309 28.188 -8.187 1.00 0.00 C ATOM 295 O SER A 24 32.900 27.746 -7.201 1.00 0.00 O ATOM 296 CB SER A 24 32.539 27.011 -10.382 1.00 0.00 C ATOM 297 OG SER A 24 32.498 27.326 -11.763 1.00 0.00 O ATOM 0 H SER A 24 34.842 27.339 -9.144 1.00 0.00 H new ATOM 0 HA SER A 24 32.682 29.132 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 24 33.225 26.180 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 24 31.554 26.682 -10.051 1.00 0.00 H new ATOM 0 HG SER A 24 32.213 26.537 -12.270 1.00 0.00 H new ATOM 303 N ASP A 25 31.069 28.661 -8.135 1.00 0.00 N ATOM 304 CA ASP A 25 30.312 28.688 -6.888 1.00 0.00 C ATOM 305 C ASP A 25 28.869 29.113 -7.138 1.00 0.00 C ATOM 306 O ASP A 25 28.604 30.248 -7.533 1.00 0.00 O ATOM 307 CB ASP A 25 30.971 29.639 -5.887 1.00 0.00 C ATOM 308 CG ASP A 25 30.985 31.074 -6.375 1.00 0.00 C ATOM 309 OD1 ASP A 25 31.507 31.319 -7.483 1.00 0.00 O ATOM 310 OD2 ASP A 25 30.475 31.953 -5.649 1.00 0.00 O ATOM 0 H ASP A 25 30.566 29.031 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 25 30.308 27.681 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 25 30.440 29.587 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 25 31.994 29.312 -5.699 1.00 0.00 H new ATOM 315 N VAL A 26 27.938 28.192 -6.905 1.00 0.00 N ATOM 316 CA VAL A 26 26.521 28.471 -7.104 1.00 0.00 C ATOM 317 C VAL A 26 25.654 27.524 -6.282 1.00 0.00 C ATOM 318 O VAL A 26 25.928 26.326 -6.201 1.00 0.00 O ATOM 319 CB VAL A 26 26.128 28.350 -8.589 1.00 0.00 C ATOM 320 CG1 VAL A 26 26.430 26.953 -9.109 1.00 0.00 C ATOM 321 CG2 VAL A 26 24.659 28.694 -8.781 1.00 0.00 C ATOM 0 H VAL A 26 28.140 27.247 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 26 26.351 29.495 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 26 26.722 29.061 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 26 26.146 26.886 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 27.496 26.750 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.865 26.220 -8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 26 24.399 28.603 -9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 26 24.045 28.009 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 24.478 29.717 -8.449 1.00 0.00 H new ATOM 331 N LEU A 27 24.606 28.069 -5.674 1.00 0.00 N ATOM 332 CA LEU A 27 23.696 27.273 -4.857 1.00 0.00 C ATOM 333 C LEU A 27 22.348 27.103 -5.551 1.00 0.00 C ATOM 334 O LEU A 27 21.910 27.977 -6.299 1.00 0.00 O ATOM 335 CB LEU A 27 23.499 27.930 -3.490 1.00 0.00 C ATOM 336 CG LEU A 27 22.300 27.442 -2.677 1.00 0.00 C ATOM 337 CD1 LEU A 27 22.477 25.983 -2.287 1.00 0.00 C ATOM 338 CD2 LEU A 27 22.106 28.307 -1.440 1.00 0.00 C ATOM 0 H LEU A 27 24.365 29.059 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 27 24.140 26.287 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.401 27.771 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 27 23.399 29.005 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 27 21.408 27.525 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 27 21.614 25.654 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.565 25.374 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.379 25.874 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.248 27.945 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.999 28.257 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 27 21.932 29.340 -1.742 1.00 0.00 H new ATOM 350 N ASP A 28 21.696 25.974 -5.297 1.00 0.00 N ATOM 351 CA ASP A 28 20.396 25.691 -5.894 1.00 0.00 C ATOM 352 C ASP A 28 19.404 25.217 -4.837 1.00 0.00 C ATOM 353 O ASP A 28 19.621 24.199 -4.180 1.00 0.00 O ATOM 354 CB ASP A 28 20.535 24.635 -6.992 1.00 0.00 C ATOM 355 CG ASP A 28 21.091 23.325 -6.468 1.00 0.00 C ATOM 356 OD1 ASP A 28 22.328 23.217 -6.335 1.00 0.00 O ATOM 357 OD2 ASP A 28 20.289 22.410 -6.190 1.00 0.00 O ATOM 0 H ASP A 28 22.046 25.240 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 28 20.017 26.613 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 28 19.560 24.457 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 28 21.188 25.015 -7.777 1.00 0.00 H new ATOM 362 N MET A 29 18.315 25.962 -4.678 1.00 0.00 N ATOM 363 CA MET A 29 17.289 25.617 -3.700 1.00 0.00 C ATOM 364 C MET A 29 16.892 24.150 -3.823 1.00 0.00 C ATOM 365 O MET A 29 16.682 23.629 -4.919 1.00 0.00 O ATOM 366 CB MET A 29 16.059 26.508 -3.884 1.00 0.00 C ATOM 367 CG MET A 29 15.253 26.702 -2.610 1.00 0.00 C ATOM 368 SD MET A 29 13.765 27.685 -2.872 1.00 0.00 S ATOM 369 CE MET A 29 14.476 29.245 -3.392 1.00 0.00 C ATOM 0 H MET A 29 18.120 26.808 -5.213 1.00 0.00 H new ATOM 0 HA MET A 29 17.702 25.781 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 29 16.378 27.482 -4.254 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.416 26.072 -4.648 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.974 25.727 -2.209 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.877 27.188 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.729 30.033 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.332 29.483 -2.761 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.800 29.169 -4.430 1.00 0.00 H new ATOM 379 N PRO A 30 16.788 23.465 -2.674 1.00 0.00 N ATOM 380 CA PRO A 30 16.415 22.048 -2.628 1.00 0.00 C ATOM 381 C PRO A 30 14.957 21.820 -3.011 1.00 0.00 C ATOM 382 O PRO A 30 14.181 22.767 -3.136 1.00 0.00 O ATOM 383 CB PRO A 30 16.649 21.668 -1.164 1.00 0.00 C ATOM 384 CG PRO A 30 16.513 22.947 -0.413 1.00 0.00 C ATOM 385 CD PRO A 30 17.024 24.023 -1.332 1.00 0.00 C ATOM 0 HA PRO A 30 16.991 21.451 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.921 20.931 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.637 21.229 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.474 23.130 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.088 22.919 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.490 24.962 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 30 18.081 24.228 -1.162 1.00 0.00 H new ATOM 393 N VAL A 31 14.590 20.555 -3.197 1.00 0.00 N ATOM 394 CA VAL A 31 13.224 20.202 -3.564 1.00 0.00 C ATOM 395 C VAL A 31 12.277 20.367 -2.382 1.00 0.00 C ATOM 396 O VAL A 31 12.684 20.249 -1.226 1.00 0.00 O ATOM 397 CB VAL A 31 13.138 18.752 -4.078 1.00 0.00 C ATOM 398 CG1 VAL A 31 11.695 18.374 -4.371 1.00 0.00 C ATOM 399 CG2 VAL A 31 14.007 18.573 -5.314 1.00 0.00 C ATOM 0 H VAL A 31 15.220 19.759 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 31 12.925 20.881 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 31 13.511 18.086 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.654 17.347 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.104 18.461 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.291 19.043 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.934 17.543 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.666 19.248 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.044 18.800 -5.066 1.00 0.00 H new ATOM 409 N ASP A 32 11.011 20.641 -2.679 1.00 0.00 N ATOM 410 CA ASP A 32 10.004 20.821 -1.640 1.00 0.00 C ATOM 411 C ASP A 32 8.762 19.987 -1.937 1.00 0.00 C ATOM 412 O ASP A 32 8.470 19.651 -3.084 1.00 0.00 O ATOM 413 CB ASP A 32 9.624 22.298 -1.518 1.00 0.00 C ATOM 414 CG ASP A 32 10.766 23.222 -1.895 1.00 0.00 C ATOM 415 OD1 ASP A 32 11.071 23.328 -3.101 1.00 0.00 O ATOM 416 OD2 ASP A 32 11.354 23.840 -0.983 1.00 0.00 O ATOM 0 H ASP A 32 10.658 20.743 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 32 10.429 20.484 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.767 22.504 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.314 22.507 -0.494 1.00 0.00 H new ATOM 421 N PRO A 33 8.012 19.644 -0.878 1.00 0.00 N ATOM 422 CA PRO A 33 6.790 18.844 -1.000 1.00 0.00 C ATOM 423 C PRO A 33 5.659 19.613 -1.675 1.00 0.00 C ATOM 424 O PRO A 33 4.615 19.046 -1.994 1.00 0.00 O ATOM 425 CB PRO A 33 6.428 18.526 0.453 1.00 0.00 C ATOM 426 CG PRO A 33 7.041 19.628 1.246 1.00 0.00 C ATOM 427 CD PRO A 33 8.300 20.010 0.518 1.00 0.00 C ATOM 0 HA PRO A 33 6.941 17.960 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.348 18.491 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.820 17.555 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.362 20.477 1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.261 19.302 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.515 21.074 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.166 19.472 0.904 1.00 0.00 H new ATOM 435 N ASN A 34 5.875 20.906 -1.890 1.00 0.00 N ATOM 436 CA ASN A 34 4.873 21.753 -2.528 1.00 0.00 C ATOM 437 C ASN A 34 4.347 21.106 -3.805 1.00 0.00 C ATOM 438 O ASN A 34 3.138 21.016 -4.014 1.00 0.00 O ATOM 439 CB ASN A 34 5.465 23.128 -2.845 1.00 0.00 C ATOM 440 CG ASN A 34 5.614 23.993 -1.609 1.00 0.00 C ATOM 441 OD1 ASN A 34 5.786 23.486 -0.500 1.00 0.00 O ATOM 442 ND2 ASN A 34 5.547 25.306 -1.794 1.00 0.00 N ATOM 0 H ASN A 34 6.735 21.391 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 34 4.041 21.874 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.440 23.001 -3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.827 23.638 -3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.639 25.938 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.403 25.682 -2.731 1.00 0.00 H new ATOM 449 N GLU A 35 5.265 20.657 -4.656 1.00 0.00 N ATOM 450 CA GLU A 35 4.893 20.018 -5.913 1.00 0.00 C ATOM 451 C GLU A 35 4.129 18.722 -5.659 1.00 0.00 C ATOM 452 O GLU A 35 4.268 18.083 -4.616 1.00 0.00 O ATOM 453 CB GLU A 35 6.139 19.732 -6.754 1.00 0.00 C ATOM 454 CG GLU A 35 6.712 20.966 -7.432 1.00 0.00 C ATOM 455 CD GLU A 35 5.949 21.349 -8.685 1.00 0.00 C ATOM 456 OE1 GLU A 35 4.702 21.374 -8.637 1.00 0.00 O ATOM 457 OE2 GLU A 35 6.601 21.626 -9.714 1.00 0.00 O ATOM 0 H GLU A 35 6.270 20.724 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 35 4.243 20.701 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.904 19.290 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.892 18.992 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.696 21.801 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.756 20.784 -7.688 1.00 0.00 H new ATOM 464 N PRO A 36 3.300 18.324 -6.636 1.00 0.00 N ATOM 465 CA PRO A 36 2.497 17.101 -6.543 1.00 0.00 C ATOM 466 C PRO A 36 3.351 15.839 -6.618 1.00 0.00 C ATOM 467 O PRO A 36 4.534 15.897 -6.953 1.00 0.00 O ATOM 468 CB PRO A 36 1.570 17.192 -7.757 1.00 0.00 C ATOM 469 CG PRO A 36 2.303 18.049 -8.730 1.00 0.00 C ATOM 470 CD PRO A 36 3.084 19.036 -7.907 1.00 0.00 C ATOM 0 HA PRO A 36 1.970 17.031 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.366 16.206 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.609 17.630 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.966 17.451 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.610 18.560 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.027 19.301 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.530 19.963 -7.759 1.00 0.00 H new ATOM 478 N THR A 37 2.742 14.699 -6.305 1.00 0.00 N ATOM 479 CA THR A 37 3.447 13.424 -6.337 1.00 0.00 C ATOM 480 C THR A 37 2.648 12.373 -7.100 1.00 0.00 C ATOM 481 O THR A 37 1.418 12.409 -7.120 1.00 0.00 O ATOM 482 CB THR A 37 3.730 12.903 -4.915 1.00 0.00 C ATOM 483 OG1 THR A 37 2.500 12.717 -4.207 1.00 0.00 O ATOM 484 CG2 THR A 37 4.619 13.873 -4.151 1.00 0.00 C ATOM 0 H THR A 37 1.763 14.633 -6.027 1.00 0.00 H new ATOM 0 HA THR A 37 4.394 13.599 -6.848 1.00 0.00 H new ATOM 0 HB THR A 37 4.248 11.948 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.689 12.384 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.805 13.484 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.566 13.990 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.123 14.841 -4.078 1.00 0.00 H new ATOM 492 N TYR A 38 3.355 11.440 -7.727 1.00 0.00 N ATOM 493 CA TYR A 38 2.711 10.379 -8.494 1.00 0.00 C ATOM 494 C TYR A 38 3.215 9.008 -8.056 1.00 0.00 C ATOM 495 O TYR A 38 2.427 8.110 -7.757 1.00 0.00 O ATOM 496 CB TYR A 38 2.966 10.576 -9.989 1.00 0.00 C ATOM 497 CG TYR A 38 2.231 11.758 -10.579 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.474 13.049 -10.127 1.00 0.00 C ATOM 499 CD2 TYR A 38 1.292 11.583 -11.589 1.00 0.00 C ATOM 500 CE1 TYR A 38 1.803 14.131 -10.663 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.618 12.660 -12.131 1.00 0.00 C ATOM 502 CZ TYR A 38 0.877 13.931 -11.665 1.00 0.00 C ATOM 503 OH TYR A 38 0.208 15.007 -12.202 1.00 0.00 O ATOM 0 H TYR A 38 4.374 11.396 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 38 1.638 10.428 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.036 10.706 -10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.670 9.672 -10.522 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.200 13.209 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.086 10.588 -11.956 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.003 15.128 -10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.108 12.507 -12.916 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.408 14.695 -12.898 1.00 0.00 H new ATOM 513 N CYS A 39 4.535 8.853 -8.020 1.00 0.00 N ATOM 514 CA CYS A 39 5.147 7.593 -7.618 1.00 0.00 C ATOM 515 C CYS A 39 4.439 7.008 -6.400 1.00 0.00 C ATOM 516 O CYS A 39 3.641 7.682 -5.748 1.00 0.00 O ATOM 517 CB CYS A 39 6.631 7.798 -7.310 1.00 0.00 C ATOM 518 SG CYS A 39 7.596 6.254 -7.239 1.00 0.00 S ATOM 0 H CYS A 39 5.201 9.586 -8.265 1.00 0.00 H new ATOM 0 HA CYS A 39 5.048 6.890 -8.445 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.062 8.449 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.725 8.317 -6.356 1.00 0.00 H new ATOM 523 N LEU A 40 4.737 5.749 -6.097 1.00 0.00 N ATOM 524 CA LEU A 40 4.130 5.072 -4.956 1.00 0.00 C ATOM 525 C LEU A 40 4.595 5.694 -3.643 1.00 0.00 C ATOM 526 O LEU A 40 3.834 5.777 -2.679 1.00 0.00 O ATOM 527 CB LEU A 40 4.477 3.582 -4.979 1.00 0.00 C ATOM 528 CG LEU A 40 4.385 2.892 -6.340 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.441 1.805 -6.460 1.00 0.00 C ATOM 530 CD2 LEU A 40 2.994 2.312 -6.551 1.00 0.00 C ATOM 0 H LEU A 40 5.395 5.176 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 40 3.049 5.188 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.492 3.460 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.814 3.064 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 40 4.569 3.635 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.360 1.325 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.432 2.247 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.289 1.062 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.947 1.825 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.782 1.582 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.256 3.113 -6.510 1.00 0.00 H new ATOM 542 N CYS A 41 5.849 6.132 -3.614 1.00 0.00 N ATOM 543 CA CYS A 41 6.417 6.749 -2.421 1.00 0.00 C ATOM 544 C CYS A 41 5.849 8.150 -2.211 1.00 0.00 C ATOM 545 O CYS A 41 6.239 8.856 -1.280 1.00 0.00 O ATOM 546 CB CYS A 41 7.941 6.815 -2.531 1.00 0.00 C ATOM 547 SG CYS A 41 8.544 7.902 -3.863 1.00 0.00 S ATOM 0 H CYS A 41 6.492 6.071 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 41 6.149 6.135 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.348 7.162 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.327 5.809 -2.695 1.00 0.00 H new ATOM 552 N HIS A 42 4.927 8.546 -3.082 1.00 0.00 N ATOM 553 CA HIS A 42 4.305 9.862 -2.992 1.00 0.00 C ATOM 554 C HIS A 42 5.362 10.961 -2.953 1.00 0.00 C ATOM 555 O HIS A 42 5.381 11.784 -2.038 1.00 0.00 O ATOM 556 CB HIS A 42 3.419 9.946 -1.749 1.00 0.00 C ATOM 557 CG HIS A 42 2.073 9.315 -1.929 1.00 0.00 C ATOM 558 ND1 HIS A 42 1.500 8.483 -0.990 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.184 9.400 -2.947 1.00 0.00 C ATOM 560 CE1 HIS A 42 0.318 8.082 -1.424 1.00 0.00 C ATOM 561 NE2 HIS A 42 0.103 8.624 -2.609 1.00 0.00 N ATOM 0 H HIS A 42 4.594 7.974 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 42 3.688 10.007 -3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.929 9.463 -0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 42 3.287 10.993 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.303 9.972 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.357 7.423 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.731 8.488 -3.180 1.00 0.00 H new ATOM 570 N GLN A 43 6.241 10.966 -3.950 1.00 0.00 N ATOM 571 CA GLN A 43 7.302 11.964 -4.028 1.00 0.00 C ATOM 572 C GLN A 43 7.185 12.784 -5.308 1.00 0.00 C ATOM 573 O GLN A 43 6.465 12.410 -6.235 1.00 0.00 O ATOM 574 CB GLN A 43 8.672 11.287 -3.966 1.00 0.00 C ATOM 575 CG GLN A 43 9.114 10.937 -2.554 1.00 0.00 C ATOM 576 CD GLN A 43 10.622 10.943 -2.396 1.00 0.00 C ATOM 577 OE1 GLN A 43 11.166 11.648 -1.545 1.00 0.00 O ATOM 578 NE2 GLN A 43 11.306 10.155 -3.217 1.00 0.00 N ATOM 0 H GLN A 43 6.240 10.291 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 43 7.197 12.637 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.646 10.377 -4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.414 11.945 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.676 11.648 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.729 9.952 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.814 9.588 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.324 10.117 -3.157 1.00 0.00 H new ATOM 587 N VAL A 44 7.896 13.906 -5.354 1.00 0.00 N ATOM 588 CA VAL A 44 7.873 14.780 -6.521 1.00 0.00 C ATOM 589 C VAL A 44 8.311 14.033 -7.775 1.00 0.00 C ATOM 590 O VAL A 44 9.416 13.494 -7.835 1.00 0.00 O ATOM 591 CB VAL A 44 8.784 16.006 -6.322 1.00 0.00 C ATOM 592 CG1 VAL A 44 8.228 16.914 -5.235 1.00 0.00 C ATOM 593 CG2 VAL A 44 10.202 15.568 -5.988 1.00 0.00 C ATOM 0 H VAL A 44 8.496 14.231 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 44 6.844 15.118 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 44 8.813 16.570 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.885 17.775 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.233 17.256 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.167 16.363 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.832 16.447 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.195 14.980 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.597 14.962 -6.803 1.00 0.00 H new ATOM 603 N SER A 45 7.438 14.006 -8.777 1.00 0.00 N ATOM 604 CA SER A 45 7.733 13.322 -10.030 1.00 0.00 C ATOM 605 C SER A 45 8.789 14.081 -10.828 1.00 0.00 C ATOM 606 O SER A 45 8.478 15.040 -11.536 1.00 0.00 O ATOM 607 CB SER A 45 6.460 13.168 -10.864 1.00 0.00 C ATOM 608 OG SER A 45 5.477 12.426 -10.163 1.00 0.00 O ATOM 0 H SER A 45 6.520 14.450 -8.745 1.00 0.00 H new ATOM 0 HA SER A 45 8.124 12.333 -9.792 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.066 14.152 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.695 12.668 -11.804 1.00 0.00 H new ATOM 0 HG SER A 45 4.589 12.790 -10.362 1.00 0.00 H new ATOM 614 N TYR A 46 10.038 13.646 -10.708 1.00 0.00 N ATOM 615 CA TYR A 46 11.141 14.286 -11.415 1.00 0.00 C ATOM 616 C TYR A 46 11.481 13.527 -12.694 1.00 0.00 C ATOM 617 O TYR A 46 10.957 12.443 -12.944 1.00 0.00 O ATOM 618 CB TYR A 46 12.374 14.366 -10.513 1.00 0.00 C ATOM 619 CG TYR A 46 12.466 13.238 -9.511 1.00 0.00 C ATOM 620 CD1 TYR A 46 13.015 12.011 -9.866 1.00 0.00 C ATOM 621 CD2 TYR A 46 12.004 13.397 -8.211 1.00 0.00 C ATOM 622 CE1 TYR A 46 13.101 10.977 -8.954 1.00 0.00 C ATOM 623 CE2 TYR A 46 12.087 12.369 -7.292 1.00 0.00 C ATOM 624 CZ TYR A 46 12.636 11.161 -7.668 1.00 0.00 C ATOM 625 OH TYR A 46 12.719 10.134 -6.756 1.00 0.00 O ATOM 0 H TYR A 46 10.312 12.853 -10.128 1.00 0.00 H new ATOM 0 HA TYR A 46 10.830 15.295 -11.685 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.269 14.362 -11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.361 15.316 -9.978 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.380 11.864 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.572 14.341 -7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 46 13.530 10.030 -9.246 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.724 12.510 -6.285 1.00 0.00 H new ATOM 0 HH TYR A 46 12.076 9.433 -6.993 1.00 0.00 H new ATOM 635 N GLY A 47 12.365 14.107 -13.501 1.00 0.00 N ATOM 636 CA GLY A 47 12.761 13.472 -14.745 1.00 0.00 C ATOM 637 C GLY A 47 12.652 11.962 -14.686 1.00 0.00 C ATOM 638 O GLY A 47 11.847 11.363 -15.399 1.00 0.00 O ATOM 0 H GLY A 47 12.813 15.004 -13.316 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.136 13.847 -15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.788 13.750 -14.980 1.00 0.00 H new ATOM 642 N GLU A 48 13.465 11.344 -13.834 1.00 0.00 N ATOM 643 CA GLU A 48 13.456 9.893 -13.688 1.00 0.00 C ATOM 644 C GLU A 48 12.028 9.359 -13.643 1.00 0.00 C ATOM 645 O GLU A 48 11.339 9.482 -12.631 1.00 0.00 O ATOM 646 CB GLU A 48 14.206 9.482 -12.418 1.00 0.00 C ATOM 647 CG GLU A 48 15.651 9.950 -12.386 1.00 0.00 C ATOM 648 CD GLU A 48 15.795 11.363 -11.854 1.00 0.00 C ATOM 649 OE1 GLU A 48 15.812 11.533 -10.618 1.00 0.00 O ATOM 650 OE2 GLU A 48 15.891 12.298 -12.676 1.00 0.00 O ATOM 0 H GLU A 48 14.137 11.825 -13.236 1.00 0.00 H new ATOM 0 HA GLU A 48 13.959 9.463 -14.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.683 9.885 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.183 8.396 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.235 9.271 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.067 9.900 -13.392 1.00 0.00 H new ATOM 657 N MET A 49 11.590 8.766 -14.749 1.00 0.00 N ATOM 658 CA MET A 49 10.243 8.212 -14.837 1.00 0.00 C ATOM 659 C MET A 49 10.099 7.328 -16.071 1.00 0.00 C ATOM 660 O MET A 49 10.810 7.506 -17.061 1.00 0.00 O ATOM 661 CB MET A 49 9.208 9.337 -14.878 1.00 0.00 C ATOM 662 CG MET A 49 8.952 9.977 -13.523 1.00 0.00 C ATOM 663 SD MET A 49 7.261 10.578 -13.346 1.00 0.00 S ATOM 664 CE MET A 49 6.601 9.392 -12.178 1.00 0.00 C ATOM 0 H MET A 49 12.147 8.657 -15.596 1.00 0.00 H new ATOM 0 HA MET A 49 10.070 7.601 -13.951 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.545 10.104 -15.575 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.270 8.942 -15.267 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.159 9.250 -12.737 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.645 10.806 -13.381 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.879 9.885 -11.527 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.109 8.584 -12.719 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.413 8.984 -11.576 1.00 0.00 H new ATOM 674 N ILE A 50 9.175 6.375 -16.006 1.00 0.00 N ATOM 675 CA ILE A 50 8.938 5.464 -17.119 1.00 0.00 C ATOM 676 C ILE A 50 7.478 5.501 -17.558 1.00 0.00 C ATOM 677 O ILE A 50 7.166 5.294 -18.730 1.00 0.00 O ATOM 678 CB ILE A 50 9.315 4.016 -16.752 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.153 3.330 -16.031 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.567 3.999 -15.887 1.00 0.00 C ATOM 681 CD1 ILE A 50 8.061 3.680 -14.562 1.00 0.00 C ATOM 0 H ILE A 50 8.578 6.214 -15.194 1.00 0.00 H new ATOM 0 HA ILE A 50 9.571 5.799 -17.941 1.00 0.00 H new ATOM 0 HB ILE A 50 9.523 3.466 -17.670 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.219 3.605 -16.521 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.260 2.250 -16.133 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.821 2.969 -15.635 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.393 4.454 -16.434 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.384 4.562 -14.971 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.215 3.158 -14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.980 3.379 -14.058 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.922 4.756 -14.452 1.00 0.00 H new ATOM 693 N GLY A 51 6.586 5.768 -16.608 1.00 0.00 N ATOM 694 CA GLY A 51 5.170 5.829 -16.917 1.00 0.00 C ATOM 695 C GLY A 51 4.617 4.492 -17.370 1.00 0.00 C ATOM 696 O GLY A 51 5.192 3.836 -18.239 1.00 0.00 O ATOM 0 H GLY A 51 6.819 5.943 -15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.623 6.165 -16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.003 6.571 -17.698 1.00 0.00 H new ATOM 700 N CYS A 52 3.498 4.086 -16.779 1.00 0.00 N ATOM 701 CA CYS A 52 2.867 2.817 -17.125 1.00 0.00 C ATOM 702 C CYS A 52 2.235 2.885 -18.512 1.00 0.00 C ATOM 703 O CYS A 52 1.482 3.810 -18.818 1.00 0.00 O ATOM 704 CB CYS A 52 1.806 2.452 -16.086 1.00 0.00 C ATOM 705 SG CYS A 52 1.244 0.721 -16.174 1.00 0.00 S ATOM 0 H CYS A 52 3.009 4.617 -16.058 1.00 0.00 H new ATOM 0 HA CYS A 52 3.638 2.046 -17.134 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.207 2.643 -15.090 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.946 3.109 -16.214 1.00 0.00 H new ATOM 710 N ASP A 53 2.546 1.899 -19.346 1.00 0.00 N ATOM 711 CA ASP A 53 2.008 1.844 -20.700 1.00 0.00 C ATOM 712 C ASP A 53 0.486 1.735 -20.676 1.00 0.00 C ATOM 713 O ASP A 53 -0.191 2.164 -21.609 1.00 0.00 O ATOM 714 CB ASP A 53 2.604 0.660 -21.462 1.00 0.00 C ATOM 715 CG ASP A 53 2.336 0.735 -22.952 1.00 0.00 C ATOM 716 OD1 ASP A 53 1.195 0.438 -23.365 1.00 0.00 O ATOM 717 OD2 ASP A 53 3.265 1.092 -23.705 1.00 0.00 O ATOM 0 H ASP A 53 3.168 1.127 -19.108 1.00 0.00 H new ATOM 0 HA ASP A 53 2.281 2.768 -21.210 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.680 0.626 -21.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.189 -0.268 -21.068 1.00 0.00 H new ATOM 722 N ASN A 54 -0.044 1.157 -19.603 1.00 0.00 N ATOM 723 CA ASN A 54 -1.485 0.990 -19.458 1.00 0.00 C ATOM 724 C ASN A 54 -2.175 2.340 -19.291 1.00 0.00 C ATOM 725 O ASN A 54 -1.919 3.083 -18.344 1.00 0.00 O ATOM 726 CB ASN A 54 -1.798 0.093 -18.259 1.00 0.00 C ATOM 727 CG ASN A 54 -3.287 -0.123 -18.071 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.064 -0.029 -19.021 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.691 -0.415 -16.840 1.00 0.00 N ATOM 0 H ASN A 54 0.503 0.796 -18.821 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.864 0.518 -20.365 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.308 -0.871 -18.393 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.382 0.540 -17.356 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.681 -0.572 -16.652 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.011 -0.483 -16.083 1.00 0.00 H new ATOM 736 N PRO A 55 -3.073 2.666 -20.233 1.00 0.00 N ATOM 737 CA PRO A 55 -3.820 3.928 -20.212 1.00 0.00 C ATOM 738 C PRO A 55 -4.842 3.977 -19.082 1.00 0.00 C ATOM 739 O PRO A 55 -5.197 5.053 -18.600 1.00 0.00 O ATOM 740 CB PRO A 55 -4.524 3.946 -21.571 1.00 0.00 C ATOM 741 CG PRO A 55 -4.644 2.511 -21.955 1.00 0.00 C ATOM 742 CD PRO A 55 -3.428 1.829 -21.391 1.00 0.00 C ATOM 0 HA PRO A 55 -3.168 4.785 -20.043 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.503 4.421 -21.503 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.948 4.506 -22.308 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.558 2.074 -21.553 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.687 2.399 -23.038 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.645 0.803 -21.094 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.618 1.786 -22.119 1.00 0.00 H new ATOM 750 N ASP A 56 -5.311 2.807 -18.663 1.00 0.00 N ATOM 751 CA ASP A 56 -6.292 2.717 -17.587 1.00 0.00 C ATOM 752 C ASP A 56 -5.647 3.014 -16.237 1.00 0.00 C ATOM 753 O ASP A 56 -6.257 3.639 -15.369 1.00 0.00 O ATOM 754 CB ASP A 56 -6.932 1.328 -17.566 1.00 0.00 C ATOM 755 CG ASP A 56 -7.509 0.936 -18.912 1.00 0.00 C ATOM 756 OD1 ASP A 56 -7.855 1.845 -19.697 1.00 0.00 O ATOM 757 OD2 ASP A 56 -7.616 -0.278 -19.181 1.00 0.00 O ATOM 0 H ASP A 56 -5.028 1.907 -19.052 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.066 3.462 -17.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.186 0.592 -17.265 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.722 1.306 -16.815 1.00 0.00 H new ATOM 762 N CYS A 57 -4.409 2.561 -16.066 1.00 0.00 N ATOM 763 CA CYS A 57 -3.681 2.776 -14.822 1.00 0.00 C ATOM 764 C CYS A 57 -3.860 4.209 -14.327 1.00 0.00 C ATOM 765 O CYS A 57 -3.522 5.164 -15.025 1.00 0.00 O ATOM 766 CB CYS A 57 -2.194 2.476 -15.019 1.00 0.00 C ATOM 767 SG CYS A 57 -1.276 2.217 -13.467 1.00 0.00 S ATOM 0 H CYS A 57 -3.889 2.042 -16.774 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.086 2.097 -14.071 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.093 1.587 -15.641 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.737 3.301 -15.566 1.00 0.00 H new ATOM 772 N SER A 58 -4.395 4.348 -13.118 1.00 0.00 N ATOM 773 CA SER A 58 -4.623 5.663 -12.531 1.00 0.00 C ATOM 774 C SER A 58 -3.304 6.399 -12.318 1.00 0.00 C ATOM 775 O SER A 58 -3.150 7.551 -12.726 1.00 0.00 O ATOM 776 CB SER A 58 -5.366 5.529 -11.200 1.00 0.00 C ATOM 777 OG SER A 58 -5.482 6.784 -10.552 1.00 0.00 O ATOM 0 H SER A 58 -4.678 3.567 -12.527 1.00 0.00 H new ATOM 0 HA SER A 58 -5.234 6.242 -13.224 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.358 5.113 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.836 4.830 -10.553 1.00 0.00 H new ATOM 0 HG SER A 58 -5.962 6.672 -9.705 1.00 0.00 H new ATOM 783 N ILE A 59 -2.355 5.726 -11.675 1.00 0.00 N ATOM 784 CA ILE A 59 -1.049 6.315 -11.408 1.00 0.00 C ATOM 785 C ILE A 59 -0.239 6.461 -12.692 1.00 0.00 C ATOM 786 O ILE A 59 0.051 7.574 -13.130 1.00 0.00 O ATOM 787 CB ILE A 59 -0.246 5.470 -10.401 1.00 0.00 C ATOM 788 CG1 ILE A 59 -1.047 5.275 -9.112 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.092 6.130 -10.105 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.500 4.182 -8.221 1.00 0.00 C ATOM 0 H ILE A 59 -2.467 4.773 -11.330 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.229 7.301 -10.981 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.057 4.490 -10.840 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.060 6.213 -8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.080 5.041 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.648 5.521 -9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.665 6.222 -11.028 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.924 7.121 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.117 4.099 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.512 3.234 -8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.524 4.424 -7.935 1.00 0.00 H new ATOM 802 N GLU A 60 0.121 5.330 -13.290 1.00 0.00 N ATOM 803 CA GLU A 60 0.896 5.333 -14.525 1.00 0.00 C ATOM 804 C GLU A 60 2.081 6.289 -14.421 1.00 0.00 C ATOM 805 O GLU A 60 2.391 7.015 -15.365 1.00 0.00 O ATOM 806 CB GLU A 60 0.010 5.729 -15.709 1.00 0.00 C ATOM 807 CG GLU A 60 -0.483 7.165 -15.647 1.00 0.00 C ATOM 808 CD GLU A 60 -1.023 7.654 -16.977 1.00 0.00 C ATOM 809 OE1 GLU A 60 -0.223 8.159 -17.793 1.00 0.00 O ATOM 810 OE2 GLU A 60 -2.245 7.530 -17.202 1.00 0.00 O ATOM 0 H GLU A 60 -0.111 4.401 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 60 1.277 4.325 -14.687 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.568 5.585 -16.634 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.850 5.060 -15.748 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.264 7.245 -14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.335 7.813 -15.331 1.00 0.00 H new ATOM 817 N TRP A 61 2.738 6.283 -13.267 1.00 0.00 N ATOM 818 CA TRP A 61 3.889 7.150 -13.038 1.00 0.00 C ATOM 819 C TRP A 61 4.676 6.698 -11.813 1.00 0.00 C ATOM 820 O TRP A 61 4.122 6.564 -10.722 1.00 0.00 O ATOM 821 CB TRP A 61 3.434 8.600 -12.861 1.00 0.00 C ATOM 822 CG TRP A 61 3.043 9.261 -14.148 1.00 0.00 C ATOM 823 CD1 TRP A 61 1.798 9.698 -14.500 1.00 0.00 C ATOM 824 CD2 TRP A 61 3.902 9.558 -15.255 1.00 0.00 C ATOM 825 NE1 TRP A 61 1.831 10.248 -15.759 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.110 10.176 -16.242 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.263 9.365 -15.506 1.00 0.00 C ATOM 828 CZ2 TRP A 61 3.636 10.599 -17.460 1.00 0.00 C ATOM 829 CZ3 TRP A 61 5.783 9.785 -16.715 1.00 0.00 C ATOM 830 CH2 TRP A 61 4.972 10.397 -17.680 1.00 0.00 C ATOM 0 H TRP A 61 2.494 5.688 -12.475 1.00 0.00 H new ATOM 0 HA TRP A 61 4.541 7.085 -13.909 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.587 8.626 -12.175 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.238 9.171 -12.397 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.917 9.622 -13.880 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.032 10.645 -16.253 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.897 8.896 -14.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.012 11.070 -18.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.833 9.639 -16.920 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.409 10.715 -18.615 1.00 0.00 H new ATOM 841 N PHE A 62 5.971 6.464 -12.001 1.00 0.00 N ATOM 842 CA PHE A 62 6.834 6.026 -10.910 1.00 0.00 C ATOM 843 C PHE A 62 8.299 6.316 -11.226 1.00 0.00 C ATOM 844 O PHE A 62 8.621 6.869 -12.278 1.00 0.00 O ATOM 845 CB PHE A 62 6.643 4.531 -10.649 1.00 0.00 C ATOM 846 CG PHE A 62 5.215 4.080 -10.762 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.336 4.245 -9.704 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.750 3.492 -11.928 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.022 3.831 -9.805 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.437 3.076 -12.035 1.00 0.00 C ATOM 851 CZ PHE A 62 2.571 3.246 -10.972 1.00 0.00 C ATOM 0 H PHE A 62 6.445 6.570 -12.898 1.00 0.00 H new ATOM 0 HA PHE A 62 6.556 6.582 -10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.251 3.966 -11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.012 4.295 -9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.682 4.703 -8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.422 3.358 -12.763 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.348 3.965 -8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.088 2.618 -12.949 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.544 2.922 -11.053 1.00 0.00 H new ATOM 861 N HIS A 63 9.182 5.939 -10.306 1.00 0.00 N ATOM 862 CA HIS A 63 10.613 6.158 -10.486 1.00 0.00 C ATOM 863 C HIS A 63 11.331 4.843 -10.775 1.00 0.00 C ATOM 864 O HIS A 63 10.698 3.798 -10.924 1.00 0.00 O ATOM 865 CB HIS A 63 11.209 6.815 -9.241 1.00 0.00 C ATOM 866 CG HIS A 63 10.426 7.994 -8.752 1.00 0.00 C ATOM 867 ND1 HIS A 63 10.180 8.234 -7.417 1.00 0.00 N ATOM 868 CD2 HIS A 63 9.832 9.005 -9.429 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.468 9.340 -7.293 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.244 9.828 -8.500 1.00 0.00 N ATOM 0 H HIS A 63 8.932 5.481 -9.430 1.00 0.00 H new ATOM 0 HA HIS A 63 10.750 6.822 -11.340 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.270 6.074 -8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.228 7.132 -9.461 1.00 0.00 H new ATOM 0 HD1 HIS A 63 10.498 7.649 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.822 9.139 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.127 9.772 -6.363 1.00 0.00 H new ATOM 878 N PHE A 64 12.656 4.904 -10.854 1.00 0.00 N ATOM 879 CA PHE A 64 13.461 3.719 -11.128 1.00 0.00 C ATOM 880 C PHE A 64 13.951 3.083 -9.830 1.00 0.00 C ATOM 881 O PHE A 64 13.949 1.861 -9.686 1.00 0.00 O ATOM 882 CB PHE A 64 14.654 4.080 -12.015 1.00 0.00 C ATOM 883 CG PHE A 64 14.289 4.943 -13.189 1.00 0.00 C ATOM 884 CD1 PHE A 64 12.969 5.068 -13.590 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.266 5.630 -13.892 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.629 5.861 -14.670 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.933 6.425 -14.972 1.00 0.00 C ATOM 888 CZ PHE A 64 13.613 6.540 -15.362 1.00 0.00 C ATOM 0 H PHE A 64 13.195 5.761 -10.732 1.00 0.00 H new ATOM 0 HA PHE A 64 12.834 2.997 -11.652 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.401 4.597 -11.413 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.117 3.163 -12.379 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.196 4.539 -13.052 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.300 5.543 -13.592 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.596 5.950 -14.972 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.704 6.956 -15.511 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.351 7.160 -16.207 1.00 0.00 H new ATOM 898 N ALA A 65 14.372 3.922 -8.889 1.00 0.00 N ATOM 899 CA ALA A 65 14.864 3.444 -7.604 1.00 0.00 C ATOM 900 C ALA A 65 13.713 3.002 -6.705 1.00 0.00 C ATOM 901 O ALA A 65 13.905 2.739 -5.518 1.00 0.00 O ATOM 902 CB ALA A 65 15.686 4.525 -6.918 1.00 0.00 C ATOM 0 H ALA A 65 14.382 4.937 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 65 15.501 2.579 -7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.047 4.154 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.535 4.791 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.065 5.406 -6.756 1.00 0.00 H new ATOM 908 N CYS A 66 12.517 2.923 -7.279 1.00 0.00 N ATOM 909 CA CYS A 66 11.335 2.515 -6.531 1.00 0.00 C ATOM 910 C CYS A 66 10.786 1.193 -7.061 1.00 0.00 C ATOM 911 O CYS A 66 9.990 0.528 -6.397 1.00 0.00 O ATOM 912 CB CYS A 66 10.256 3.596 -6.611 1.00 0.00 C ATOM 913 SG CYS A 66 10.351 4.841 -5.285 1.00 0.00 S ATOM 0 H CYS A 66 12.341 3.137 -8.261 1.00 0.00 H new ATOM 0 HA CYS A 66 11.625 2.377 -5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.333 4.100 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.276 3.119 -6.578 1.00 0.00 H new ATOM 918 N VAL A 67 11.217 0.818 -8.261 1.00 0.00 N ATOM 919 CA VAL A 67 10.770 -0.424 -8.880 1.00 0.00 C ATOM 920 C VAL A 67 11.951 -1.230 -9.410 1.00 0.00 C ATOM 921 O VAL A 67 11.961 -2.458 -9.339 1.00 0.00 O ATOM 922 CB VAL A 67 9.788 -0.155 -10.035 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.459 0.355 -9.497 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.386 0.834 -11.023 1.00 0.00 C ATOM 0 H VAL A 67 11.875 1.357 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 67 10.260 -0.997 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 67 9.606 -1.093 -10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.777 0.540 -10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.026 -0.391 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.621 1.282 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.678 1.012 -11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.599 1.774 -10.513 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.310 0.426 -11.432 1.00 0.00 H new ATOM 934 N GLY A 68 12.948 -0.528 -9.942 1.00 0.00 N ATOM 935 CA GLY A 68 14.121 -1.194 -10.476 1.00 0.00 C ATOM 936 C GLY A 68 14.289 -0.967 -11.965 1.00 0.00 C ATOM 937 O GLY A 68 14.267 -1.915 -12.752 1.00 0.00 O ATOM 0 H GLY A 68 12.964 0.489 -10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.008 -0.835 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.048 -2.264 -10.281 1.00 0.00 H new ATOM 941 N LEU A 69 14.456 0.292 -12.355 1.00 0.00 N ATOM 942 CA LEU A 69 14.626 0.641 -13.761 1.00 0.00 C ATOM 943 C LEU A 69 15.825 1.565 -13.951 1.00 0.00 C ATOM 944 O LEU A 69 15.685 2.694 -14.422 1.00 0.00 O ATOM 945 CB LEU A 69 13.361 1.313 -14.297 1.00 0.00 C ATOM 946 CG LEU A 69 12.149 0.401 -14.493 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.861 1.154 -14.195 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.126 -0.159 -15.908 1.00 0.00 C ATOM 0 H LEU A 69 14.477 1.088 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 69 14.806 -0.278 -14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.081 2.114 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.598 1.779 -15.253 1.00 0.00 H new ATOM 0 HG LEU A 69 12.229 -0.432 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.009 0.489 -14.340 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.876 1.506 -13.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.774 2.007 -14.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.257 -0.806 -16.029 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.070 0.662 -16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.034 -0.735 -16.086 1.00 0.00 H new ATOM 960 N THR A 70 17.006 1.077 -13.582 1.00 0.00 N ATOM 961 CA THR A 70 18.230 1.858 -13.713 1.00 0.00 C ATOM 962 C THR A 70 18.107 2.891 -14.827 1.00 0.00 C ATOM 963 O THR A 70 18.453 4.059 -14.647 1.00 0.00 O ATOM 964 CB THR A 70 19.445 0.954 -13.997 1.00 0.00 C ATOM 965 OG1 THR A 70 19.143 0.049 -15.065 1.00 0.00 O ATOM 966 CG2 THR A 70 19.837 0.169 -12.755 1.00 0.00 C ATOM 0 H THR A 70 17.140 0.145 -13.190 1.00 0.00 H new ATOM 0 HA THR A 70 18.382 2.370 -12.763 1.00 0.00 H new ATOM 0 HB THR A 70 20.283 1.588 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.921 -0.521 -15.241 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.697 -0.462 -12.980 1.00 0.00 H new ATOM 0 HG22 THR A 70 20.094 0.861 -11.953 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.001 -0.456 -12.440 1.00 0.00 H new ATOM 974 N THR A 71 17.611 2.454 -15.981 1.00 0.00 N ATOM 975 CA THR A 71 17.443 3.341 -17.125 1.00 0.00 C ATOM 976 C THR A 71 16.037 3.232 -17.703 1.00 0.00 C ATOM 977 O THR A 71 15.526 2.132 -17.919 1.00 0.00 O ATOM 978 CB THR A 71 18.467 3.028 -18.233 1.00 0.00 C ATOM 979 OG1 THR A 71 18.265 1.699 -18.726 1.00 0.00 O ATOM 980 CG2 THR A 71 19.889 3.171 -17.712 1.00 0.00 C ATOM 0 H THR A 71 17.319 1.491 -16.147 1.00 0.00 H new ATOM 0 HA THR A 71 17.607 4.357 -16.765 1.00 0.00 H new ATOM 0 HB THR A 71 18.321 3.742 -19.044 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.919 1.509 -19.431 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.594 2.945 -18.512 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.049 4.192 -17.365 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.045 2.478 -16.885 1.00 0.00 H new ATOM 988 N LYS A 72 15.415 4.379 -17.953 1.00 0.00 N ATOM 989 CA LYS A 72 14.067 4.413 -18.508 1.00 0.00 C ATOM 990 C LYS A 72 13.943 3.462 -19.694 1.00 0.00 C ATOM 991 O LYS A 72 14.701 3.535 -20.662 1.00 0.00 O ATOM 992 CB LYS A 72 13.708 5.836 -18.942 1.00 0.00 C ATOM 993 CG LYS A 72 12.455 5.914 -19.796 1.00 0.00 C ATOM 994 CD LYS A 72 12.170 7.339 -20.241 1.00 0.00 C ATOM 995 CE LYS A 72 10.678 7.585 -20.404 1.00 0.00 C ATOM 996 NZ LYS A 72 10.212 7.271 -21.783 1.00 0.00 N ATOM 0 H LYS A 72 15.823 5.298 -17.780 1.00 0.00 H new ATOM 0 HA LYS A 72 13.373 4.090 -17.732 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.572 6.454 -18.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.544 6.259 -19.499 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.570 5.275 -20.671 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.605 5.531 -19.232 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.577 8.038 -19.510 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.677 7.534 -21.186 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.129 6.975 -19.687 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.454 8.627 -20.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.685 8.082 -22.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.033 7.075 -22.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.592 6.436 -21.758 1.00 0.00 H new ATOM 1010 N PRO A 73 12.963 2.549 -19.622 1.00 0.00 N ATOM 1011 CA PRO A 73 12.716 1.568 -20.682 1.00 0.00 C ATOM 1012 C PRO A 73 12.156 2.210 -21.947 1.00 0.00 C ATOM 1013 O PRO A 73 12.353 1.702 -23.051 1.00 0.00 O ATOM 1014 CB PRO A 73 11.683 0.625 -20.059 1.00 0.00 C ATOM 1015 CG PRO A 73 10.988 1.450 -19.031 1.00 0.00 C ATOM 1016 CD PRO A 73 12.022 2.404 -18.499 1.00 0.00 C ATOM 0 HA PRO A 73 13.633 1.070 -20.998 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.983 0.254 -20.808 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.161 -0.246 -19.611 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.147 1.989 -19.466 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.587 0.824 -18.234 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.580 3.360 -18.219 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.514 2.008 -17.611 1.00 0.00 H new ATOM 1024 N ARG A 74 11.459 3.328 -21.779 1.00 0.00 N ATOM 1025 CA ARG A 74 10.871 4.039 -22.907 1.00 0.00 C ATOM 1026 C ARG A 74 10.310 3.060 -23.934 1.00 0.00 C ATOM 1027 O ARG A 74 10.405 3.286 -25.140 1.00 0.00 O ATOM 1028 CB ARG A 74 11.913 4.944 -23.567 1.00 0.00 C ATOM 1029 CG ARG A 74 13.012 4.182 -24.289 1.00 0.00 C ATOM 1030 CD ARG A 74 13.581 4.987 -25.447 1.00 0.00 C ATOM 1031 NE ARG A 74 12.868 4.729 -26.695 1.00 0.00 N ATOM 1032 CZ ARG A 74 12.823 5.589 -27.707 1.00 0.00 C ATOM 1033 NH1 ARG A 74 13.446 6.756 -27.618 1.00 0.00 N ATOM 1034 NH2 ARG A 74 12.154 5.282 -28.811 1.00 0.00 N ATOM 0 H ARG A 74 11.287 3.761 -20.872 1.00 0.00 H new ATOM 0 HA ARG A 74 10.053 4.653 -22.530 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.412 5.602 -24.277 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.364 5.580 -22.805 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.810 3.939 -23.587 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.617 3.237 -24.661 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.526 6.050 -25.211 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.636 4.743 -25.575 1.00 0.00 H new ATOM 0 HE ARG A 74 12.378 3.840 -26.795 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.962 6.996 -26.771 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.410 7.414 -28.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.674 4.385 -28.883 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.120 5.943 -29.587 1.00 0.00 H new ATOM 1048 N GLY A 75 9.725 1.970 -23.446 1.00 0.00 N ATOM 1049 CA GLY A 75 9.157 0.972 -24.334 1.00 0.00 C ATOM 1050 C GLY A 75 7.819 0.454 -23.846 1.00 0.00 C ATOM 1051 O GLY A 75 6.788 1.098 -24.039 1.00 0.00 O ATOM 0 H GLY A 75 9.634 1.760 -22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.036 1.402 -25.328 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.852 0.138 -24.430 1.00 0.00 H new ATOM 1055 N LYS A 76 7.834 -0.713 -23.212 1.00 0.00 N ATOM 1056 CA LYS A 76 6.613 -1.319 -22.693 1.00 0.00 C ATOM 1057 C LYS A 76 6.796 -1.758 -21.244 1.00 0.00 C ATOM 1058 O LYS A 76 6.867 -2.952 -20.952 1.00 0.00 O ATOM 1059 CB LYS A 76 6.209 -2.518 -23.554 1.00 0.00 C ATOM 1060 CG LYS A 76 5.577 -2.131 -24.879 1.00 0.00 C ATOM 1061 CD LYS A 76 4.069 -1.987 -24.757 1.00 0.00 C ATOM 1062 CE LYS A 76 3.395 -3.337 -24.562 1.00 0.00 C ATOM 1063 NZ LYS A 76 1.940 -3.280 -24.872 1.00 0.00 N ATOM 0 H LYS A 76 8.679 -1.259 -23.045 1.00 0.00 H new ATOM 0 HA LYS A 76 5.822 -0.570 -22.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.091 -3.129 -23.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.508 -3.137 -22.994 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.006 -1.191 -25.227 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.812 -2.886 -25.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.831 -1.335 -23.916 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.674 -1.508 -25.653 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.874 -4.078 -25.202 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.534 -3.667 -23.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.517 -4.219 -24.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.478 -2.592 -24.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.807 -2.990 -25.862 1.00 0.00 H new ATOM 1077 N TRP A 77 6.870 -0.787 -20.342 1.00 0.00 N ATOM 1078 CA TRP A 77 7.043 -1.074 -18.922 1.00 0.00 C ATOM 1079 C TRP A 77 5.711 -0.994 -18.184 1.00 0.00 C ATOM 1080 O TRP A 77 5.089 0.067 -18.119 1.00 0.00 O ATOM 1081 CB TRP A 77 8.043 -0.098 -18.301 1.00 0.00 C ATOM 1082 CG TRP A 77 8.411 -0.442 -16.890 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.467 -1.205 -16.480 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.722 -0.036 -15.702 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.476 -1.298 -15.109 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.417 -0.589 -14.608 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.588 0.741 -15.455 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 8.012 -0.389 -13.291 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.187 0.939 -14.148 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.897 0.377 -13.079 1.00 0.00 C ATOM 0 H TRP A 77 6.813 0.206 -20.568 1.00 0.00 H new ATOM 0 HA TRP A 77 7.430 -2.089 -18.827 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.947 -0.079 -18.910 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.621 0.907 -18.324 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.189 -1.667 -17.137 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.161 -1.812 -14.554 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.034 1.180 -16.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.558 -0.823 -12.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.311 1.538 -13.947 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.558 0.551 -12.068 1.00 0.00 H new ATOM 1101 N PHE A 78 5.278 -2.121 -17.629 1.00 0.00 N ATOM 1102 CA PHE A 78 4.019 -2.177 -16.896 1.00 0.00 C ATOM 1103 C PHE A 78 4.267 -2.238 -15.392 1.00 0.00 C ATOM 1104 O PHE A 78 4.988 -3.110 -14.905 1.00 0.00 O ATOM 1105 CB PHE A 78 3.201 -3.392 -17.338 1.00 0.00 C ATOM 1106 CG PHE A 78 2.359 -3.137 -18.556 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.928 -3.131 -19.819 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.998 -2.903 -18.437 1.00 0.00 C ATOM 1109 CE1 PHE A 78 2.156 -2.897 -20.942 1.00 0.00 C ATOM 1110 CE2 PHE A 78 0.221 -2.669 -19.556 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.801 -2.664 -20.809 1.00 0.00 C ATOM 0 H PHE A 78 5.780 -3.008 -17.673 1.00 0.00 H new ATOM 0 HA PHE A 78 3.458 -1.269 -17.118 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.878 -4.221 -17.541 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.554 -3.703 -16.517 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.987 -3.311 -19.928 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.540 -2.904 -17.459 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.612 -2.896 -21.921 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.839 -2.490 -19.450 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.196 -2.478 -21.684 1.00 0.00 H new ATOM 1121 N CYS A 79 3.666 -1.305 -14.661 1.00 0.00 N ATOM 1122 CA CYS A 79 3.822 -1.250 -13.212 1.00 0.00 C ATOM 1123 C CYS A 79 3.590 -2.623 -12.587 1.00 0.00 C ATOM 1124 O CYS A 79 2.901 -3.478 -13.145 1.00 0.00 O ATOM 1125 CB CYS A 79 2.849 -0.233 -12.612 1.00 0.00 C ATOM 1126 SG CYS A 79 1.132 -0.831 -12.488 1.00 0.00 S ATOM 0 H CYS A 79 3.066 -0.577 -15.048 1.00 0.00 H new ATOM 0 HA CYS A 79 4.843 -0.939 -12.993 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.198 0.045 -11.618 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.865 0.671 -13.220 1.00 0.00 H new ATOM 1131 N PRO A 80 4.178 -2.840 -11.402 1.00 0.00 N ATOM 1132 CA PRO A 80 4.049 -4.107 -10.675 1.00 0.00 C ATOM 1133 C PRO A 80 2.642 -4.320 -10.127 1.00 0.00 C ATOM 1134 O PRO A 80 2.361 -5.336 -9.491 1.00 0.00 O ATOM 1135 CB PRO A 80 5.053 -3.961 -9.528 1.00 0.00 C ATOM 1136 CG PRO A 80 5.182 -2.492 -9.322 1.00 0.00 C ATOM 1137 CD PRO A 80 5.013 -1.866 -10.679 1.00 0.00 C ATOM 0 HA PRO A 80 4.237 -4.967 -11.318 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.697 -4.458 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.013 -4.411 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.425 -2.128 -8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.153 -2.242 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.529 -0.891 -10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.972 -1.714 -11.174 1.00 0.00 H new ATOM 1145 N ARG A 81 1.762 -3.356 -10.377 1.00 0.00 N ATOM 1146 CA ARG A 81 0.384 -3.439 -9.908 1.00 0.00 C ATOM 1147 C ARG A 81 -0.543 -3.910 -11.024 1.00 0.00 C ATOM 1148 O ARG A 81 -1.628 -4.432 -10.766 1.00 0.00 O ATOM 1149 CB ARG A 81 -0.081 -2.080 -9.383 1.00 0.00 C ATOM 1150 CG ARG A 81 0.562 -1.684 -8.063 1.00 0.00 C ATOM 1151 CD ARG A 81 1.964 -1.133 -8.270 1.00 0.00 C ATOM 1152 NE ARG A 81 2.822 -1.370 -7.112 1.00 0.00 N ATOM 1153 CZ ARG A 81 3.144 -2.581 -6.672 1.00 0.00 C ATOM 1154 NH1 ARG A 81 2.681 -3.659 -7.290 1.00 0.00 N ATOM 1155 NH2 ARG A 81 3.930 -2.715 -5.612 1.00 0.00 N ATOM 0 H ARG A 81 1.979 -2.509 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 81 0.346 -4.166 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.141 -1.317 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.164 -2.099 -9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.055 -0.935 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.604 -2.550 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.409 -1.595 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.907 -0.062 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 81 3.194 -0.561 -6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.076 -3.559 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.930 -4.588 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.287 -1.888 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.177 -3.645 -5.275 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.110 -3.720 -12.266 1.00 0.00 N ATOM 1170 CA CYS A 82 -0.900 -4.123 -13.423 1.00 0.00 C ATOM 1171 C CYS A 82 -0.498 -5.516 -13.897 1.00 0.00 C ATOM 1172 O CYS A 82 -1.347 -6.389 -14.082 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.727 -3.115 -14.561 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.478 -1.488 -14.234 1.00 0.00 S ATOM 0 H CYS A 82 0.785 -3.289 -12.497 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.948 -4.148 -13.125 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.337 -2.980 -14.754 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.165 -3.530 -15.469 1.00 0.00 H new ATOM 1179 N SER A 83 0.801 -5.718 -14.092 1.00 0.00 N ATOM 1180 CA SER A 83 1.315 -7.004 -14.548 1.00 0.00 C ATOM 1181 C SER A 83 0.601 -8.154 -13.846 1.00 0.00 C ATOM 1182 O SER A 83 0.176 -9.116 -14.485 1.00 0.00 O ATOM 1183 CB SER A 83 2.822 -7.093 -14.294 1.00 0.00 C ATOM 1184 OG SER A 83 3.339 -8.339 -14.728 1.00 0.00 O ATOM 0 H SER A 83 1.517 -5.007 -13.941 1.00 0.00 H new ATOM 0 HA SER A 83 1.128 -7.083 -15.619 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.331 -6.283 -14.816 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.023 -6.963 -13.231 1.00 0.00 H new ATOM 0 HG SER A 83 4.303 -8.371 -14.556 1.00 0.00 H new ATOM 1190 N GLN A 84 0.473 -8.047 -12.527 1.00 0.00 N ATOM 1191 CA GLN A 84 -0.189 -9.079 -11.738 1.00 0.00 C ATOM 1192 C GLN A 84 -1.616 -9.306 -12.227 1.00 0.00 C ATOM 1193 O GLN A 84 -2.034 -10.443 -12.442 1.00 0.00 O ATOM 1194 CB GLN A 84 -0.200 -8.690 -10.259 1.00 0.00 C ATOM 1195 CG GLN A 84 -0.804 -9.753 -9.355 1.00 0.00 C ATOM 1196 CD GLN A 84 -2.293 -9.930 -9.576 1.00 0.00 C ATOM 1197 OE1 GLN A 84 -3.023 -8.958 -9.772 1.00 0.00 O ATOM 1198 NE2 GLN A 84 -2.753 -11.175 -9.546 1.00 0.00 N ATOM 0 H GLN A 84 0.819 -7.257 -11.983 1.00 0.00 H new ATOM 0 HA GLN A 84 0.369 -10.008 -11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.822 -8.489 -9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.760 -7.763 -10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.299 -10.703 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.625 -9.484 -8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.113 -11.951 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.747 -11.355 -9.689 1.00 0.00 H new ATOM 1207 N GLU A 85 -2.358 -8.217 -12.399 1.00 0.00 N ATOM 1208 CA GLU A 85 -3.739 -8.299 -12.861 1.00 0.00 C ATOM 1209 C GLU A 85 -3.883 -9.349 -13.959 1.00 0.00 C ATOM 1210 O GLU A 85 -3.058 -9.430 -14.868 1.00 0.00 O ATOM 1211 CB GLU A 85 -4.209 -6.937 -13.377 1.00 0.00 C ATOM 1212 CG GLU A 85 -5.695 -6.691 -13.177 1.00 0.00 C ATOM 1213 CD GLU A 85 -6.203 -7.232 -11.855 1.00 0.00 C ATOM 1214 OE1 GLU A 85 -6.157 -6.488 -10.853 1.00 0.00 O ATOM 1215 OE2 GLU A 85 -6.647 -8.399 -11.823 1.00 0.00 O ATOM 0 H GLU A 85 -2.027 -7.268 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.362 -8.594 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.648 -6.152 -12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.976 -6.860 -14.439 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.892 -5.620 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.249 -7.155 -13.993 1.00 0.00 H new ATOM 1222 N SER A 86 -4.938 -10.152 -13.866 1.00 0.00 N ATOM 1223 CA SER A 86 -5.190 -11.201 -14.848 1.00 0.00 C ATOM 1224 C SER A 86 -6.397 -10.855 -15.714 1.00 0.00 C ATOM 1225 O SER A 86 -7.542 -10.974 -15.279 1.00 0.00 O ATOM 1226 CB SER A 86 -5.417 -12.541 -14.147 1.00 0.00 C ATOM 1227 OG SER A 86 -5.237 -13.623 -15.044 1.00 0.00 O ATOM 0 H SER A 86 -5.632 -10.097 -13.121 1.00 0.00 H new ATOM 0 HA SER A 86 -4.314 -11.281 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.725 -12.639 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.425 -12.572 -13.732 1.00 0.00 H new ATOM 0 HG SER A 86 -5.386 -14.468 -14.571 1.00 0.00 H new ATOM 1233 N GLY A 87 -6.132 -10.427 -16.944 1.00 0.00 N ATOM 1234 CA GLY A 87 -7.206 -10.070 -17.853 1.00 0.00 C ATOM 1235 C GLY A 87 -7.194 -10.903 -19.119 1.00 0.00 C ATOM 1236 O GLY A 87 -6.255 -11.652 -19.386 1.00 0.00 O ATOM 0 H GLY A 87 -5.193 -10.321 -17.328 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.163 -10.197 -17.347 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.121 -9.015 -18.115 1.00 0.00 H new ATOM 1240 N PRO A 88 -8.260 -10.778 -19.924 1.00 0.00 N ATOM 1241 CA PRO A 88 -8.393 -11.518 -21.183 1.00 0.00 C ATOM 1242 C PRO A 88 -7.410 -11.037 -22.245 1.00 0.00 C ATOM 1243 O PRO A 88 -7.051 -11.784 -23.155 1.00 0.00 O ATOM 1244 CB PRO A 88 -9.832 -11.228 -21.615 1.00 0.00 C ATOM 1245 CG PRO A 88 -10.165 -9.926 -20.973 1.00 0.00 C ATOM 1246 CD PRO A 88 -9.416 -9.903 -19.669 1.00 0.00 C ATOM 0 HA PRO A 88 -8.177 -12.579 -21.057 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.915 -11.167 -22.700 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.510 -12.016 -21.287 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.869 -9.091 -21.608 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.239 -9.836 -20.808 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.104 -8.893 -19.402 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.028 -10.275 -18.847 1.00 0.00 H new ATOM 1254 N SER A 89 -6.979 -9.786 -22.122 1.00 0.00 N ATOM 1255 CA SER A 89 -6.041 -9.204 -23.075 1.00 0.00 C ATOM 1256 C SER A 89 -4.840 -10.122 -23.285 1.00 0.00 C ATOM 1257 O SER A 89 -4.490 -10.456 -24.417 1.00 0.00 O ATOM 1258 CB SER A 89 -5.569 -7.833 -22.586 1.00 0.00 C ATOM 1259 OG SER A 89 -5.011 -7.920 -21.286 1.00 0.00 O ATOM 0 H SER A 89 -7.264 -9.156 -21.372 1.00 0.00 H new ATOM 0 HA SER A 89 -6.557 -9.085 -24.028 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.828 -7.432 -23.277 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.408 -7.137 -22.579 1.00 0.00 H new ATOM 0 HG SER A 89 -4.715 -7.032 -20.997 1.00 0.00 H new ATOM 1265 N SER A 90 -4.213 -10.527 -22.184 1.00 0.00 N ATOM 1266 CA SER A 90 -3.050 -11.403 -22.246 1.00 0.00 C ATOM 1267 C SER A 90 -3.426 -12.834 -21.873 1.00 0.00 C ATOM 1268 O SER A 90 -3.599 -13.156 -20.698 1.00 0.00 O ATOM 1269 CB SER A 90 -1.950 -10.893 -21.313 1.00 0.00 C ATOM 1270 OG SER A 90 -0.947 -11.876 -21.122 1.00 0.00 O ATOM 0 H SER A 90 -4.492 -10.262 -21.239 1.00 0.00 H new ATOM 0 HA SER A 90 -2.678 -11.399 -23.271 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.504 -9.990 -21.731 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.383 -10.619 -20.351 1.00 0.00 H new ATOM 0 HG SER A 90 -0.255 -11.525 -20.523 1.00 0.00 H new ATOM 1276 N GLY A 91 -3.552 -13.689 -22.883 1.00 0.00 N ATOM 1277 CA GLY A 91 -3.908 -15.075 -22.642 1.00 0.00 C ATOM 1278 C GLY A 91 -3.158 -16.032 -23.547 1.00 0.00 C ATOM 1279 O GLY A 91 -3.087 -17.220 -23.235 1.00 0.00 O ATOM 0 H GLY A 91 -3.414 -13.447 -23.864 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.700 -15.325 -21.602 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.980 -15.203 -22.792 1.00 0.00 H new TER 1283 GLY A 91 HETATM 1284 ZN ZN A 201 9.317 6.846 -5.770 1.00 0.00 ZN HETATM 1285 ZN ZN A 401 0.052 0.267 -14.229 1.00 0.00 ZN