USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 48:sc= 0.796 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 5:sc= 0.072 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.261) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 170:sc= -0.934 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 85 SER OG : rot 180:sc= -0.259 USER MOD Single : A 89 TYR OH : rot 180:sc=-0.00109 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-0.95) USER MOD Single : A 97 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-2.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.383 6.817 5.930 1.00 0.00 N ATOM 67 CA PRO A 8 13.667 6.926 4.496 1.00 0.00 C ATOM 68 C PRO A 8 12.717 7.886 3.788 1.00 0.00 C ATOM 69 O PRO A 8 11.717 8.333 4.349 1.00 0.00 O ATOM 70 CB PRO A 8 13.464 5.498 3.985 1.00 0.00 C ATOM 71 CG PRO A 8 12.517 4.879 4.955 1.00 0.00 C ATOM 72 CD PRO A 8 12.826 5.502 6.288 1.00 0.00 C ATOM 0 HA PRO A 8 14.664 7.323 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.055 5.494 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.407 4.953 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.483 5.068 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.646 3.797 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.931 5.599 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.540 4.904 6.855 1.00 0.00 H new ATOM 80 N PRO A 9 13.035 8.211 2.526 1.00 0.00 N ATOM 81 CA PRO A 9 12.222 9.121 1.714 1.00 0.00 C ATOM 82 C PRO A 9 10.882 8.507 1.322 1.00 0.00 C ATOM 83 O PRO A 9 10.794 7.311 1.043 1.00 0.00 O ATOM 84 CB PRO A 9 13.085 9.356 0.473 1.00 0.00 C ATOM 85 CG PRO A 9 13.952 8.148 0.379 1.00 0.00 C ATOM 86 CD PRO A 9 14.213 7.715 1.795 1.00 0.00 C ATOM 0 HA PRO A 9 11.970 10.034 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.471 9.473 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.680 10.264 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.459 7.357 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.884 8.376 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.308 6.632 1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.137 8.144 2.183 1.00 0.00 H new ATOM 94 N ALA A 10 9.841 9.332 1.304 1.00 0.00 N ATOM 95 CA ALA A 10 8.506 8.871 0.943 1.00 0.00 C ATOM 96 C ALA A 10 8.535 8.062 -0.349 1.00 0.00 C ATOM 97 O ALA A 10 9.072 8.510 -1.362 1.00 0.00 O ATOM 98 CB ALA A 10 7.558 10.053 0.807 1.00 0.00 C ATOM 0 H ALA A 10 9.896 10.324 1.535 1.00 0.00 H new ATOM 0 HA ALA A 10 8.146 8.220 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.565 9.694 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.505 10.588 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.924 10.725 0.031 1.00 0.00 H new ATOM 104 N VAL A 11 7.954 6.867 -0.307 1.00 0.00 N ATOM 105 CA VAL A 11 7.913 5.995 -1.476 1.00 0.00 C ATOM 106 C VAL A 11 7.240 6.688 -2.655 1.00 0.00 C ATOM 107 O VAL A 11 6.108 7.160 -2.547 1.00 0.00 O ATOM 108 CB VAL A 11 7.167 4.683 -1.171 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.388 3.672 -2.286 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.612 4.117 0.169 1.00 0.00 C ATOM 0 H VAL A 11 7.505 6.480 0.523 1.00 0.00 H new ATOM 0 HA VAL A 11 8.946 5.765 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 11 6.100 4.897 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.853 2.751 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.016 4.080 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.453 3.460 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.075 3.190 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.683 3.917 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.397 4.838 0.958 1.00 0.00 H new ATOM 120 N SER A 12 7.944 6.746 -3.781 1.00 0.00 N ATOM 121 CA SER A 12 7.415 7.384 -4.981 1.00 0.00 C ATOM 122 C SER A 12 7.195 6.359 -6.089 1.00 0.00 C ATOM 123 O SER A 12 7.490 5.176 -5.923 1.00 0.00 O ATOM 124 CB SER A 12 8.369 8.478 -5.464 1.00 0.00 C ATOM 125 OG SER A 12 9.478 7.923 -6.149 1.00 0.00 O ATOM 0 H SER A 12 8.882 6.359 -3.887 1.00 0.00 H new ATOM 0 HA SER A 12 6.454 7.834 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.837 9.164 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.719 9.062 -4.612 1.00 0.00 H new ATOM 0 HG SER A 12 10.071 8.643 -6.449 1.00 0.00 H new ATOM 131 N ASP A 13 6.675 6.823 -7.220 1.00 0.00 N ATOM 132 CA ASP A 13 6.416 5.949 -8.358 1.00 0.00 C ATOM 133 C ASP A 13 5.721 4.667 -7.911 1.00 0.00 C ATOM 134 O ASP A 13 6.182 3.564 -8.206 1.00 0.00 O ATOM 135 CB ASP A 13 7.723 5.611 -9.077 1.00 0.00 C ATOM 136 CG ASP A 13 7.508 5.269 -10.538 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.666 5.926 -11.184 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.183 4.342 -11.036 1.00 0.00 O ATOM 0 H ASP A 13 6.424 7.800 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 13 5.757 6.477 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.405 6.458 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.203 4.770 -8.577 1.00 0.00 H new ATOM 143 N ILE A 14 4.611 4.820 -7.196 1.00 0.00 N ATOM 144 CA ILE A 14 3.854 3.674 -6.708 1.00 0.00 C ATOM 145 C ILE A 14 2.867 3.179 -7.760 1.00 0.00 C ATOM 146 O ILE A 14 1.719 3.620 -7.806 1.00 0.00 O ATOM 147 CB ILE A 14 3.083 4.017 -5.419 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.058 4.389 -4.300 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.208 2.846 -4.999 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.415 5.168 -3.174 1.00 0.00 C ATOM 0 H ILE A 14 4.216 5.726 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 14 4.577 2.887 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 14 2.439 4.875 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.499 3.478 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.873 4.978 -4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.669 3.103 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.494 2.623 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.833 1.972 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.164 5.398 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.998 6.096 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.619 4.572 -2.728 1.00 0.00 H new ATOM 162 N ARG A 15 3.323 2.259 -8.604 1.00 0.00 N ATOM 163 CA ARG A 15 2.480 1.703 -9.656 1.00 0.00 C ATOM 164 C ARG A 15 1.604 0.578 -9.113 1.00 0.00 C ATOM 165 O ARG A 15 1.845 0.060 -8.022 1.00 0.00 O ATOM 166 CB ARG A 15 3.342 1.181 -10.807 1.00 0.00 C ATOM 167 CG ARG A 15 2.647 1.226 -12.158 1.00 0.00 C ATOM 168 CD ARG A 15 3.648 1.339 -13.297 1.00 0.00 C ATOM 169 NE ARG A 15 3.006 1.222 -14.603 1.00 0.00 N ATOM 170 CZ ARG A 15 3.547 1.670 -15.731 1.00 0.00 C ATOM 171 NH1 ARG A 15 4.734 2.262 -15.711 1.00 0.00 N ATOM 172 NH2 ARG A 15 2.902 1.526 -16.881 1.00 0.00 N ATOM 0 H ARG A 15 4.271 1.883 -8.580 1.00 0.00 H new ATOM 0 HA ARG A 15 1.833 2.498 -10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.258 1.769 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.635 0.153 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.046 0.326 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.963 2.074 -12.188 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.165 2.296 -13.232 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.404 0.561 -13.194 1.00 0.00 H new ATOM 0 HE ARG A 15 2.092 0.772 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.233 2.374 -14.829 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.147 2.605 -16.578 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.989 1.071 -16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.319 1.870 -17.746 1.00 0.00 H new ATOM 186 N VAL A 16 0.584 0.206 -9.881 1.00 0.00 N ATOM 187 CA VAL A 16 -0.328 -0.858 -9.477 1.00 0.00 C ATOM 188 C VAL A 16 -0.435 -1.929 -10.557 1.00 0.00 C ATOM 189 O VAL A 16 -1.247 -1.821 -11.477 1.00 0.00 O ATOM 190 CB VAL A 16 -1.734 -0.306 -9.175 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.735 -1.443 -9.032 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.710 0.555 -7.921 1.00 0.00 C ATOM 0 H VAL A 16 0.369 0.625 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 16 0.083 -1.301 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.047 0.319 -10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.723 -1.034 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.771 -2.014 -9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.429 -2.097 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.711 0.937 -7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.376 -0.045 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.025 1.391 -8.066 1.00 0.00 H new ATOM 202 N THR A 17 0.389 -2.965 -10.439 1.00 0.00 N ATOM 203 CA THR A 17 0.388 -4.056 -11.405 1.00 0.00 C ATOM 204 C THR A 17 -0.706 -5.069 -11.089 1.00 0.00 C ATOM 205 O THR A 17 -1.296 -5.043 -10.008 1.00 0.00 O ATOM 206 CB THR A 17 1.748 -4.780 -11.436 1.00 0.00 C ATOM 207 OG1 THR A 17 2.017 -5.373 -10.160 1.00 0.00 O ATOM 208 CG2 THR A 17 2.866 -3.815 -11.798 1.00 0.00 C ATOM 0 H THR A 17 1.066 -3.071 -9.683 1.00 0.00 H new ATOM 0 HA THR A 17 0.198 -3.612 -12.382 1.00 0.00 H new ATOM 0 HB THR A 17 1.702 -5.560 -12.196 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.882 -5.832 -10.189 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.816 -4.349 -11.814 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.673 -3.388 -12.782 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.911 -3.016 -11.058 1.00 0.00 H new ATOM 216 N ARG A 18 -0.973 -5.960 -12.038 1.00 0.00 N ATOM 217 CA ARG A 18 -1.998 -6.982 -11.860 1.00 0.00 C ATOM 218 C ARG A 18 -3.242 -6.394 -11.200 1.00 0.00 C ATOM 219 O ARG A 18 -3.707 -6.893 -10.175 1.00 0.00 O ATOM 220 CB ARG A 18 -1.457 -8.136 -11.015 1.00 0.00 C ATOM 221 CG ARG A 18 -2.147 -9.463 -11.283 1.00 0.00 C ATOM 222 CD ARG A 18 -1.656 -10.096 -12.576 1.00 0.00 C ATOM 223 NE ARG A 18 -0.406 -10.827 -12.387 1.00 0.00 N ATOM 224 CZ ARG A 18 0.088 -11.681 -13.277 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.559 -11.908 -14.412 1.00 0.00 N ATOM 226 NH2 ARG A 18 1.231 -12.308 -13.033 1.00 0.00 N ATOM 0 H ARG A 18 -0.494 -5.995 -12.938 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.273 -7.360 -12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.390 -8.246 -11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.567 -7.885 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.964 -10.144 -10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.225 -9.309 -11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.418 -10.774 -12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.512 -9.320 -13.328 1.00 0.00 H new ATOM 0 HE ARG A 18 0.116 -10.674 -11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.438 -11.427 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.178 -12.564 -15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.732 -12.135 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.609 -12.963 -13.717 1.00 0.00 H new ATOM 240 N SER A 19 -3.776 -5.332 -11.795 1.00 0.00 N ATOM 241 CA SER A 19 -4.964 -4.674 -11.263 1.00 0.00 C ATOM 242 C SER A 19 -6.199 -5.550 -11.449 1.00 0.00 C ATOM 243 O SER A 19 -6.883 -5.469 -12.469 1.00 0.00 O ATOM 244 CB SER A 19 -5.174 -3.323 -11.948 1.00 0.00 C ATOM 245 OG SER A 19 -5.320 -3.479 -13.349 1.00 0.00 O ATOM 0 H SER A 19 -3.405 -4.909 -12.646 1.00 0.00 H new ATOM 0 HA SER A 19 -4.813 -4.512 -10.196 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.060 -2.838 -11.539 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.327 -2.670 -11.738 1.00 0.00 H new ATOM 0 HG SER A 19 -5.967 -4.191 -13.533 1.00 0.00 H new ATOM 251 N SER A 20 -6.479 -6.386 -10.455 1.00 0.00 N ATOM 252 CA SER A 20 -7.630 -7.280 -10.509 1.00 0.00 C ATOM 253 C SER A 20 -8.795 -6.715 -9.703 1.00 0.00 C ATOM 254 O SER A 20 -8.621 -5.890 -8.806 1.00 0.00 O ATOM 255 CB SER A 20 -7.252 -8.665 -9.979 1.00 0.00 C ATOM 256 OG SER A 20 -6.610 -9.437 -10.979 1.00 0.00 O ATOM 0 H SER A 20 -5.925 -6.463 -9.602 1.00 0.00 H new ATOM 0 HA SER A 20 -7.941 -7.370 -11.550 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.593 -8.560 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.147 -9.183 -9.635 1.00 0.00 H new ATOM 0 HG SER A 20 -6.377 -10.316 -10.614 1.00 0.00 H new ATOM 262 N PRO A 21 -10.014 -7.170 -10.029 1.00 0.00 N ATOM 263 CA PRO A 21 -11.234 -6.725 -9.348 1.00 0.00 C ATOM 264 C PRO A 21 -11.318 -7.238 -7.915 1.00 0.00 C ATOM 265 O PRO A 21 -11.645 -6.489 -6.995 1.00 0.00 O ATOM 266 CB PRO A 21 -12.355 -7.326 -10.198 1.00 0.00 C ATOM 267 CG PRO A 21 -11.738 -8.513 -10.854 1.00 0.00 C ATOM 268 CD PRO A 21 -10.296 -8.155 -11.087 1.00 0.00 C ATOM 0 HA PRO A 21 -11.280 -5.639 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.208 -7.612 -9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.719 -6.611 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.823 -9.397 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.239 -8.744 -11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.647 -9.027 -11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.142 -7.733 -12.080 1.00 0.00 H new ATOM 276 N SER A 22 -11.020 -8.521 -7.732 1.00 0.00 N ATOM 277 CA SER A 22 -11.066 -9.136 -6.411 1.00 0.00 C ATOM 278 C SER A 22 -9.811 -8.798 -5.611 1.00 0.00 C ATOM 279 O SER A 22 -9.888 -8.431 -4.439 1.00 0.00 O ATOM 280 CB SER A 22 -11.212 -10.653 -6.536 1.00 0.00 C ATOM 281 OG SER A 22 -12.505 -11.005 -6.995 1.00 0.00 O ATOM 0 H SER A 22 -10.744 -9.154 -8.482 1.00 0.00 H new ATOM 0 HA SER A 22 -11.932 -8.738 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.461 -11.038 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.026 -11.120 -5.569 1.00 0.00 H new ATOM 0 HG SER A 22 -12.572 -11.980 -7.068 1.00 0.00 H new ATOM 287 N SER A 23 -8.655 -8.926 -6.255 1.00 0.00 N ATOM 288 CA SER A 23 -7.382 -8.639 -5.604 1.00 0.00 C ATOM 289 C SER A 23 -6.703 -7.433 -6.247 1.00 0.00 C ATOM 290 O SER A 23 -6.978 -7.092 -7.398 1.00 0.00 O ATOM 291 CB SER A 23 -6.460 -9.858 -5.678 1.00 0.00 C ATOM 292 OG SER A 23 -6.178 -10.202 -7.024 1.00 0.00 O ATOM 0 H SER A 23 -8.574 -9.226 -7.226 1.00 0.00 H new ATOM 0 HA SER A 23 -7.581 -8.407 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.530 -9.647 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.928 -10.703 -5.173 1.00 0.00 H new ATOM 0 HG SER A 23 -5.586 -10.983 -7.045 1.00 0.00 H new ATOM 298 N LEU A 24 -5.814 -6.793 -5.496 1.00 0.00 N ATOM 299 CA LEU A 24 -5.094 -5.624 -5.991 1.00 0.00 C ATOM 300 C LEU A 24 -3.626 -5.675 -5.579 1.00 0.00 C ATOM 301 O LEU A 24 -3.295 -5.529 -4.403 1.00 0.00 O ATOM 302 CB LEU A 24 -5.739 -4.342 -5.464 1.00 0.00 C ATOM 303 CG LEU A 24 -7.170 -4.070 -5.929 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.835 -3.036 -5.034 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.181 -3.609 -7.379 1.00 0.00 C ATOM 0 H LEU A 24 -5.574 -7.063 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.148 -5.629 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.733 -4.377 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.116 -3.498 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.737 -4.999 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.853 -2.855 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.861 -3.405 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.269 -2.105 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.208 -3.420 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.598 -2.693 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.745 -4.383 -8.010 1.00 0.00 H new ATOM 317 N SER A 25 -2.749 -5.881 -6.557 1.00 0.00 N ATOM 318 CA SER A 25 -1.316 -5.952 -6.297 1.00 0.00 C ATOM 319 C SER A 25 -0.720 -4.555 -6.156 1.00 0.00 C ATOM 320 O SER A 25 -1.327 -3.564 -6.564 1.00 0.00 O ATOM 321 CB SER A 25 -0.609 -6.710 -7.421 1.00 0.00 C ATOM 322 OG SER A 25 0.623 -7.250 -6.976 1.00 0.00 O ATOM 0 H SER A 25 -3.006 -6.002 -7.537 1.00 0.00 H new ATOM 0 HA SER A 25 -1.168 -6.487 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.252 -7.513 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.433 -6.039 -8.262 1.00 0.00 H new ATOM 0 HG SER A 25 0.720 -7.093 -6.014 1.00 0.00 H new ATOM 328 N LEU A 26 0.474 -4.484 -5.577 1.00 0.00 N ATOM 329 CA LEU A 26 1.155 -3.208 -5.382 1.00 0.00 C ATOM 330 C LEU A 26 2.666 -3.374 -5.503 1.00 0.00 C ATOM 331 O LEU A 26 3.218 -4.411 -5.137 1.00 0.00 O ATOM 332 CB LEU A 26 0.802 -2.623 -4.013 1.00 0.00 C ATOM 333 CG LEU A 26 -0.688 -2.543 -3.681 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.906 -2.640 -2.180 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.288 -1.255 -4.227 1.00 0.00 C ATOM 0 H LEU A 26 0.990 -5.294 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 26 0.820 -2.522 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.293 -3.223 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.222 -1.619 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.192 -3.385 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.972 -2.581 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.513 -3.589 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.389 -1.819 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.349 -1.215 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.780 -0.400 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.165 -1.227 -5.310 1.00 0.00 H new ATOM 347 N ALA A 27 3.330 -2.344 -6.017 1.00 0.00 N ATOM 348 CA ALA A 27 4.778 -2.373 -6.182 1.00 0.00 C ATOM 349 C ALA A 27 5.334 -0.970 -6.400 1.00 0.00 C ATOM 350 O ALA A 27 4.889 -0.247 -7.291 1.00 0.00 O ATOM 351 CB ALA A 27 5.158 -3.280 -7.344 1.00 0.00 C ATOM 0 H ALA A 27 2.888 -1.479 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 27 5.216 -2.770 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.242 -3.293 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.802 -4.291 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.703 -2.906 -8.261 1.00 0.00 H new ATOM 357 N TRP A 28 6.309 -0.592 -5.580 1.00 0.00 N ATOM 358 CA TRP A 28 6.926 0.725 -5.683 1.00 0.00 C ATOM 359 C TRP A 28 8.376 0.613 -6.141 1.00 0.00 C ATOM 360 O TRP A 28 8.941 -0.479 -6.180 1.00 0.00 O ATOM 361 CB TRP A 28 6.857 1.450 -4.338 1.00 0.00 C ATOM 362 CG TRP A 28 6.877 0.521 -3.162 1.00 0.00 C ATOM 363 CD1 TRP A 28 7.831 0.453 -2.187 1.00 0.00 C ATOM 364 CD2 TRP A 28 5.898 -0.473 -2.838 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.505 -0.523 -1.277 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.323 -1.105 -1.653 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.704 -0.889 -3.432 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.596 -2.131 -1.055 1.00 0.00 C ATOM 369 CZ3 TRP A 28 3.983 -1.906 -2.837 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.430 -2.518 -1.658 1.00 0.00 C ATOM 0 H TRP A 28 6.689 -1.179 -4.837 1.00 0.00 H new ATOM 0 HA TRP A 28 6.374 1.300 -6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.697 2.140 -4.261 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.948 2.050 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.712 1.075 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.054 -0.774 -0.455 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.351 -0.424 -4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.940 -2.605 -0.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.059 -2.235 -3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.843 -3.310 -1.217 1.00 0.00 H new ATOM 381 N ALA A 29 8.972 1.750 -6.487 1.00 0.00 N ATOM 382 CA ALA A 29 10.357 1.778 -6.940 1.00 0.00 C ATOM 383 C ALA A 29 11.314 1.962 -5.767 1.00 0.00 C ATOM 384 O ALA A 29 11.140 2.862 -4.945 1.00 0.00 O ATOM 385 CB ALA A 29 10.555 2.886 -7.964 1.00 0.00 C ATOM 0 H ALA A 29 8.517 2.663 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 29 10.579 0.820 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.594 2.895 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.904 2.710 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.309 3.847 -7.512 1.00 0.00 H new ATOM 391 N VAL A 30 12.326 1.103 -5.694 1.00 0.00 N ATOM 392 CA VAL A 30 13.312 1.172 -4.622 1.00 0.00 C ATOM 393 C VAL A 30 13.871 2.583 -4.478 1.00 0.00 C ATOM 394 O VAL A 30 14.659 3.052 -5.299 1.00 0.00 O ATOM 395 CB VAL A 30 14.476 0.193 -4.866 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.493 0.281 -3.739 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.954 -1.228 -5.015 1.00 0.00 C ATOM 0 H VAL A 30 12.484 0.351 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 30 12.798 0.893 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 30 14.974 0.472 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.308 -0.418 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.890 1.295 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.012 0.029 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.790 -1.906 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.430 -1.521 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.267 -1.277 -5.860 1.00 0.00 H new ATOM 407 N PRO A 31 13.454 3.278 -3.410 1.00 0.00 N ATOM 408 CA PRO A 31 13.901 4.646 -3.132 1.00 0.00 C ATOM 409 C PRO A 31 15.368 4.704 -2.720 1.00 0.00 C ATOM 410 O PRO A 31 16.041 3.676 -2.639 1.00 0.00 O ATOM 411 CB PRO A 31 13.002 5.084 -1.972 1.00 0.00 C ATOM 412 CG PRO A 31 12.604 3.815 -1.301 1.00 0.00 C ATOM 413 CD PRO A 31 12.514 2.782 -2.390 1.00 0.00 C ATOM 0 HA PRO A 31 13.827 5.286 -4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.534 5.744 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.131 5.632 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.337 3.525 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.648 3.927 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.797 1.793 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.501 2.700 -2.783 1.00 0.00 H new ATOM 421 N ARG A 32 15.857 5.912 -2.459 1.00 0.00 N ATOM 422 CA ARG A 32 17.245 6.103 -2.056 1.00 0.00 C ATOM 423 C ARG A 32 17.327 6.750 -0.676 1.00 0.00 C ATOM 424 O ARG A 32 17.093 7.949 -0.527 1.00 0.00 O ATOM 425 CB ARG A 32 17.982 6.968 -3.081 1.00 0.00 C ATOM 426 CG ARG A 32 17.348 8.333 -3.293 1.00 0.00 C ATOM 427 CD ARG A 32 17.852 8.990 -4.569 1.00 0.00 C ATOM 428 NE ARG A 32 17.193 8.454 -5.757 1.00 0.00 N ATOM 429 CZ ARG A 32 17.238 9.039 -6.949 1.00 0.00 C ATOM 430 NH1 ARG A 32 17.908 10.171 -7.110 1.00 0.00 N ATOM 431 NH2 ARG A 32 16.613 8.490 -7.982 1.00 0.00 N ATOM 0 H ARG A 32 15.313 6.773 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 32 17.721 5.123 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.014 7.102 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.014 6.440 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.264 8.228 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.570 8.975 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.683 10.065 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.928 8.841 -4.653 1.00 0.00 H new ATOM 0 HE ARG A 32 16.670 7.583 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.391 10.595 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.941 10.618 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.097 7.618 -7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.648 8.940 -8.897 1.00 0.00 H new ATOM 445 N ALA A 33 17.659 5.947 0.329 1.00 0.00 N ATOM 446 CA ALA A 33 17.772 6.440 1.696 1.00 0.00 C ATOM 447 C ALA A 33 19.195 6.897 1.998 1.00 0.00 C ATOM 448 O ALA A 33 20.170 6.358 1.475 1.00 0.00 O ATOM 449 CB ALA A 33 17.340 5.366 2.683 1.00 0.00 C ATOM 0 H ALA A 33 17.855 4.952 0.222 1.00 0.00 H new ATOM 0 HA ALA A 33 17.111 7.300 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.430 5.749 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.303 5.090 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.977 4.489 2.568 1.00 0.00 H new ATOM 455 N PRO A 34 19.319 7.916 2.862 1.00 0.00 N ATOM 456 CA PRO A 34 20.620 8.468 3.253 1.00 0.00 C ATOM 457 C PRO A 34 21.421 7.504 4.122 1.00 0.00 C ATOM 458 O PRO A 34 22.644 7.610 4.217 1.00 0.00 O ATOM 459 CB PRO A 34 20.248 9.722 4.048 1.00 0.00 C ATOM 460 CG PRO A 34 18.879 9.449 4.568 1.00 0.00 C ATOM 461 CD PRO A 34 18.200 8.606 3.524 1.00 0.00 C ATOM 0 HA PRO A 34 21.255 8.667 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.952 9.899 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.262 10.610 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.922 8.927 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.333 10.377 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.500 7.900 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.632 9.216 2.822 1.00 0.00 H new ATOM 469 N SER A 35 20.724 6.565 4.753 1.00 0.00 N ATOM 470 CA SER A 35 21.371 5.584 5.617 1.00 0.00 C ATOM 471 C SER A 35 21.217 4.176 5.051 1.00 0.00 C ATOM 472 O SER A 35 20.104 3.706 4.818 1.00 0.00 O ATOM 473 CB SER A 35 20.780 5.646 7.027 1.00 0.00 C ATOM 474 OG SER A 35 21.263 6.776 7.734 1.00 0.00 O ATOM 0 H SER A 35 19.712 6.462 4.682 1.00 0.00 H new ATOM 0 HA SER A 35 22.433 5.824 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.692 5.688 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.034 4.737 7.571 1.00 0.00 H new ATOM 0 HG SER A 35 20.869 6.793 8.631 1.00 0.00 H new ATOM 480 N GLY A 36 22.345 3.507 4.831 1.00 0.00 N ATOM 481 CA GLY A 36 22.316 2.159 4.294 1.00 0.00 C ATOM 482 C GLY A 36 21.218 1.969 3.265 1.00 0.00 C ATOM 483 O GLY A 36 21.000 2.831 2.415 1.00 0.00 O ATOM 0 H GLY A 36 23.278 3.875 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.280 1.932 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.173 1.449 5.109 1.00 0.00 H new ATOM 487 N ALA A 37 20.528 0.836 3.342 1.00 0.00 N ATOM 488 CA ALA A 37 19.447 0.536 2.410 1.00 0.00 C ATOM 489 C ALA A 37 18.188 0.103 3.152 1.00 0.00 C ATOM 490 O ALA A 37 18.262 -0.513 4.216 1.00 0.00 O ATOM 491 CB ALA A 37 19.881 -0.542 1.428 1.00 0.00 C ATOM 0 H ALA A 37 20.698 0.111 4.039 1.00 0.00 H new ATOM 0 HA ALA A 37 19.215 1.445 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.064 -0.756 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.749 -0.195 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.141 -1.448 1.974 1.00 0.00 H new ATOM 497 N VAL A 38 17.030 0.428 2.585 1.00 0.00 N ATOM 498 CA VAL A 38 15.754 0.072 3.193 1.00 0.00 C ATOM 499 C VAL A 38 15.730 -1.397 3.599 1.00 0.00 C ATOM 500 O VAL A 38 16.279 -2.254 2.905 1.00 0.00 O ATOM 501 CB VAL A 38 14.580 0.348 2.235 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.269 -0.120 2.848 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.516 1.827 1.883 1.00 0.00 C ATOM 0 H VAL A 38 16.950 0.938 1.705 1.00 0.00 H new ATOM 0 HA VAL A 38 15.642 0.693 4.082 1.00 0.00 H new ATOM 0 HB VAL A 38 14.744 -0.214 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.451 0.083 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.321 -1.191 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.094 0.412 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.681 2.004 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.376 2.412 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.446 2.126 1.399 1.00 0.00 H new ATOM 513 N LEU A 39 15.089 -1.683 4.727 1.00 0.00 N ATOM 514 CA LEU A 39 14.992 -3.050 5.226 1.00 0.00 C ATOM 515 C LEU A 39 13.657 -3.678 4.838 1.00 0.00 C ATOM 516 O LEU A 39 13.613 -4.643 4.073 1.00 0.00 O ATOM 517 CB LEU A 39 15.155 -3.071 6.747 1.00 0.00 C ATOM 518 CG LEU A 39 16.390 -2.359 7.300 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.293 -2.218 8.811 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.656 -3.109 6.912 1.00 0.00 C ATOM 0 H LEU A 39 14.629 -0.987 5.313 1.00 0.00 H new ATOM 0 HA LEU A 39 15.793 -3.634 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.269 -2.619 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.182 -4.110 7.075 1.00 0.00 H new ATOM 0 HG LEU A 39 16.436 -1.361 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.181 -1.709 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.407 -1.637 9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.222 -3.206 9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.525 -2.588 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.619 -4.120 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.732 -3.157 5.826 1.00 0.00 H new ATOM 532 N ASP A 40 12.572 -3.125 5.367 1.00 0.00 N ATOM 533 CA ASP A 40 11.236 -3.628 5.073 1.00 0.00 C ATOM 534 C ASP A 40 10.304 -2.491 4.665 1.00 0.00 C ATOM 535 O ASP A 40 10.730 -1.344 4.533 1.00 0.00 O ATOM 536 CB ASP A 40 10.665 -4.361 6.288 1.00 0.00 C ATOM 537 CG ASP A 40 11.687 -5.259 6.956 1.00 0.00 C ATOM 538 OD1 ASP A 40 11.962 -6.350 6.413 1.00 0.00 O ATOM 539 OD2 ASP A 40 12.212 -4.872 8.021 1.00 0.00 O ATOM 0 H ASP A 40 12.592 -2.327 6.002 1.00 0.00 H new ATOM 0 HA ASP A 40 11.313 -4.327 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.300 -3.631 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.808 -4.959 5.978 1.00 0.00 H new ATOM 544 N TYR A 41 9.032 -2.819 4.465 1.00 0.00 N ATOM 545 CA TYR A 41 8.041 -1.826 4.069 1.00 0.00 C ATOM 546 C TYR A 41 6.703 -2.088 4.754 1.00 0.00 C ATOM 547 O TYR A 41 6.510 -3.126 5.384 1.00 0.00 O ATOM 548 CB TYR A 41 7.859 -1.834 2.550 1.00 0.00 C ATOM 549 CG TYR A 41 9.159 -1.734 1.784 1.00 0.00 C ATOM 550 CD1 TYR A 41 10.008 -2.828 1.672 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.538 -0.545 1.173 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.197 -2.740 0.974 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.724 -0.449 0.472 1.00 0.00 C ATOM 554 CZ TYR A 41 11.551 -1.549 0.375 1.00 0.00 C ATOM 555 OH TYR A 41 12.734 -1.457 -0.321 1.00 0.00 O ATOM 0 H TYR A 41 8.664 -3.764 4.571 1.00 0.00 H new ATOM 0 HA TYR A 41 8.402 -0.846 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.345 -2.750 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.214 -1.002 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.734 -3.763 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.894 0.319 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.846 -3.600 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 41 11.003 0.483 0.002 1.00 0.00 H new ATOM 0 HH TYR A 41 12.832 -0.551 -0.681 1.00 0.00 H new ATOM 565 N GLU A 42 5.783 -1.137 4.623 1.00 0.00 N ATOM 566 CA GLU A 42 4.463 -1.265 5.230 1.00 0.00 C ATOM 567 C GLU A 42 3.382 -0.716 4.302 1.00 0.00 C ATOM 568 O GLU A 42 3.594 0.272 3.600 1.00 0.00 O ATOM 569 CB GLU A 42 4.420 -0.529 6.571 1.00 0.00 C ATOM 570 CG GLU A 42 3.374 -1.072 7.530 1.00 0.00 C ATOM 571 CD GLU A 42 3.549 -0.547 8.942 1.00 0.00 C ATOM 572 OE1 GLU A 42 3.265 0.648 9.169 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.969 -1.330 9.819 1.00 0.00 O ATOM 0 H GLU A 42 5.927 -0.271 4.103 1.00 0.00 H new ATOM 0 HA GLU A 42 4.270 -2.324 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.401 -0.593 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.221 0.527 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.381 -0.806 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.427 -2.161 7.542 1.00 0.00 H new ATOM 580 N VAL A 43 2.223 -1.367 4.304 1.00 0.00 N ATOM 581 CA VAL A 43 1.109 -0.945 3.463 1.00 0.00 C ATOM 582 C VAL A 43 -0.156 -0.739 4.290 1.00 0.00 C ATOM 583 O VAL A 43 -0.799 -1.700 4.711 1.00 0.00 O ATOM 584 CB VAL A 43 0.822 -1.975 2.354 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.376 -1.543 1.522 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.049 -2.169 1.477 1.00 0.00 C ATOM 0 H VAL A 43 2.031 -2.188 4.878 1.00 0.00 H new ATOM 0 HA VAL A 43 1.398 0.001 3.004 1.00 0.00 H new ATOM 0 HB VAL A 43 0.584 -2.930 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.564 -2.282 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.253 -1.460 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.170 -0.576 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.828 -2.900 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.321 -1.219 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.879 -2.527 2.086 1.00 0.00 H new ATOM 596 N LYS A 44 -0.507 0.522 4.518 1.00 0.00 N ATOM 597 CA LYS A 44 -1.696 0.857 5.293 1.00 0.00 C ATOM 598 C LYS A 44 -2.827 1.321 4.380 1.00 0.00 C ATOM 599 O LYS A 44 -2.723 2.357 3.724 1.00 0.00 O ATOM 600 CB LYS A 44 -1.373 1.947 6.316 1.00 0.00 C ATOM 601 CG LYS A 44 -2.453 2.135 7.367 1.00 0.00 C ATOM 602 CD LYS A 44 -1.946 2.942 8.551 1.00 0.00 C ATOM 603 CE LYS A 44 -2.125 4.435 8.325 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.445 4.916 8.820 1.00 0.00 N ATOM 0 H LYS A 44 0.015 1.329 4.177 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.021 -0.041 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.434 1.701 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.219 2.891 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.311 2.640 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.800 1.161 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.481 2.643 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.892 2.722 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.327 4.977 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.034 4.655 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.440 5.955 8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.194 4.604 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.624 4.526 9.767 1.00 0.00 H new ATOM 618 N TYR A 45 -3.907 0.548 4.345 1.00 0.00 N ATOM 619 CA TYR A 45 -5.057 0.880 3.512 1.00 0.00 C ATOM 620 C TYR A 45 -6.348 0.843 4.326 1.00 0.00 C ATOM 621 O TYR A 45 -6.426 0.176 5.358 1.00 0.00 O ATOM 622 CB TYR A 45 -5.157 -0.090 2.334 1.00 0.00 C ATOM 623 CG TYR A 45 -5.115 -1.545 2.741 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.927 -2.139 3.150 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.264 -2.327 2.719 1.00 0.00 C ATOM 626 CE1 TYR A 45 -3.884 -3.468 3.523 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.231 -3.657 3.091 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.038 -4.223 3.492 1.00 0.00 C ATOM 629 OH TYR A 45 -5.000 -5.547 3.864 1.00 0.00 O ATOM 0 H TYR A 45 -4.010 -0.312 4.883 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.917 1.892 3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.085 0.101 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.339 0.108 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.022 -1.551 3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.199 -1.887 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.952 -3.914 3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.133 -4.250 3.068 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.897 -5.934 3.786 1.00 0.00 H new ATOM 639 N HIS A 46 -7.359 1.564 3.852 1.00 0.00 N ATOM 640 CA HIS A 46 -8.648 1.613 4.534 1.00 0.00 C ATOM 641 C HIS A 46 -9.728 2.171 3.612 1.00 0.00 C ATOM 642 O HIS A 46 -9.510 3.160 2.913 1.00 0.00 O ATOM 643 CB HIS A 46 -8.547 2.468 5.798 1.00 0.00 C ATOM 644 CG HIS A 46 -8.819 3.921 5.561 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.983 4.733 4.823 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.843 4.708 5.968 1.00 0.00 C ATOM 647 CE1 HIS A 46 -8.480 5.957 4.788 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.608 5.968 5.475 1.00 0.00 N ATOM 0 H HIS A 46 -7.311 2.122 2.999 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.924 0.596 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.252 2.091 6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.549 2.358 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.687 4.402 6.568 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.039 6.804 4.284 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.208 6.781 5.616 1.00 0.00 H new ATOM 657 N GLU A 47 -10.893 1.530 3.618 1.00 0.00 N ATOM 658 CA GLU A 47 -12.006 1.962 2.781 1.00 0.00 C ATOM 659 C GLU A 47 -12.371 3.415 3.070 1.00 0.00 C ATOM 660 O GLU A 47 -12.740 3.764 4.192 1.00 0.00 O ATOM 661 CB GLU A 47 -13.223 1.064 3.009 1.00 0.00 C ATOM 662 CG GLU A 47 -14.243 1.124 1.884 1.00 0.00 C ATOM 663 CD GLU A 47 -15.546 0.434 2.241 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.878 0.380 3.443 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.233 -0.050 1.318 1.00 0.00 O ATOM 0 H GLU A 47 -11.090 0.711 4.193 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.696 1.883 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.887 0.034 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.707 1.352 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.444 2.166 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.823 0.659 0.992 1.00 0.00 H new ATOM 672 N LYS A 48 -12.266 4.260 2.049 1.00 0.00 N ATOM 673 CA LYS A 48 -12.585 5.675 2.191 1.00 0.00 C ATOM 674 C LYS A 48 -13.758 5.876 3.146 1.00 0.00 C ATOM 675 O LYS A 48 -13.753 6.792 3.966 1.00 0.00 O ATOM 676 CB LYS A 48 -12.916 6.284 0.826 1.00 0.00 C ATOM 677 CG LYS A 48 -13.061 7.796 0.853 1.00 0.00 C ATOM 678 CD LYS A 48 -11.722 8.488 0.659 1.00 0.00 C ATOM 679 CE LYS A 48 -11.900 9.924 0.192 1.00 0.00 C ATOM 680 NZ LYS A 48 -10.599 10.643 0.102 1.00 0.00 N ATOM 0 H LYS A 48 -11.962 3.988 1.114 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.711 6.178 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.132 6.015 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.843 5.845 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.751 8.110 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.496 8.104 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.165 8.475 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.129 7.937 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.387 9.931 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.559 10.451 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.763 11.618 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.146 10.659 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.979 10.155 -0.575 1.00 0.00 H new ATOM 769 N VAL A 56 -8.742 0.757 9.895 1.00 0.00 N ATOM 770 CA VAL A 56 -7.643 0.643 8.943 1.00 0.00 C ATOM 771 C VAL A 56 -6.848 -0.637 9.171 1.00 0.00 C ATOM 772 O VAL A 56 -6.608 -1.035 10.311 1.00 0.00 O ATOM 773 CB VAL A 56 -6.691 1.850 9.039 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.198 2.029 10.466 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.522 1.683 8.079 1.00 0.00 C ATOM 0 HA VAL A 56 -8.087 0.618 7.948 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.240 2.748 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.527 2.886 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.049 2.197 11.127 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.665 1.132 10.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.859 2.544 8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.971 0.777 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.897 1.608 7.058 1.00 0.00 H new ATOM 785 N ARG A 57 -6.442 -1.278 8.080 1.00 0.00 N ATOM 786 CA ARG A 57 -5.674 -2.515 8.162 1.00 0.00 C ATOM 787 C ARG A 57 -4.179 -2.235 8.041 1.00 0.00 C ATOM 788 O ARG A 57 -3.763 -1.087 7.881 1.00 0.00 O ATOM 789 CB ARG A 57 -6.113 -3.485 7.063 1.00 0.00 C ATOM 790 CG ARG A 57 -7.367 -4.271 7.409 1.00 0.00 C ATOM 791 CD ARG A 57 -7.051 -5.456 8.308 1.00 0.00 C ATOM 792 NE ARG A 57 -8.206 -6.333 8.484 1.00 0.00 N ATOM 793 CZ ARG A 57 -8.266 -7.295 9.398 1.00 0.00 C ATOM 794 NH1 ARG A 57 -7.243 -7.502 10.215 1.00 0.00 N ATOM 795 NH2 ARG A 57 -9.352 -8.051 9.497 1.00 0.00 N ATOM 0 H ARG A 57 -6.632 -0.962 7.129 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.864 -2.968 9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.288 -2.925 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.301 -4.183 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.083 -3.616 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.841 -4.624 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.225 -6.025 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.719 -5.094 9.281 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.011 -6.199 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.407 -6.922 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.292 -8.241 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.142 -7.894 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.397 -8.789 10.199 1.00 0.00 H new ATOM 809 N PHE A 58 -3.377 -3.291 8.120 1.00 0.00 N ATOM 810 CA PHE A 58 -1.928 -3.159 8.022 1.00 0.00 C ATOM 811 C PHE A 58 -1.317 -4.372 7.326 1.00 0.00 C ATOM 812 O PHE A 58 -1.818 -5.491 7.450 1.00 0.00 O ATOM 813 CB PHE A 58 -1.314 -2.993 9.414 1.00 0.00 C ATOM 814 CG PHE A 58 -1.349 -1.580 9.920 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.510 -1.054 10.465 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.222 -0.777 9.851 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.545 0.247 10.930 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.252 0.525 10.316 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.415 1.037 10.857 1.00 0.00 C ATOM 0 H PHE A 58 -3.706 -4.248 8.252 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.709 -2.272 7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.846 -3.635 10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.280 -3.336 9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.397 -1.667 10.527 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.690 -1.172 9.429 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.456 0.646 11.351 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.633 1.141 10.256 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.441 2.053 11.222 1.00 0.00 H new ATOM 829 N LEU A 59 -0.233 -4.143 6.593 1.00 0.00 N ATOM 830 CA LEU A 59 0.446 -5.216 5.876 1.00 0.00 C ATOM 831 C LEU A 59 1.930 -4.903 5.707 1.00 0.00 C ATOM 832 O LEU A 59 2.301 -3.945 5.029 1.00 0.00 O ATOM 833 CB LEU A 59 -0.200 -5.430 4.506 1.00 0.00 C ATOM 834 CG LEU A 59 0.622 -6.227 3.493 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.368 -7.718 3.654 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.300 -5.780 2.075 1.00 0.00 C ATOM 0 H LEU A 59 0.194 -3.224 6.480 1.00 0.00 H new ATOM 0 HA LEU A 59 0.350 -6.129 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.153 -5.939 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.423 -4.454 4.075 1.00 0.00 H new ATOM 0 HG LEU A 59 1.679 -6.037 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.962 -8.269 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.650 -8.029 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.690 -7.926 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.894 -6.358 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.759 -5.940 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.534 -4.721 1.965 1.00 0.00 H new ATOM 848 N LYS A 60 2.775 -5.720 6.326 1.00 0.00 N ATOM 849 CA LYS A 60 4.219 -5.534 6.243 1.00 0.00 C ATOM 850 C LYS A 60 4.856 -6.608 5.367 1.00 0.00 C ATOM 851 O LYS A 60 4.536 -7.792 5.485 1.00 0.00 O ATOM 852 CB LYS A 60 4.840 -5.567 7.641 1.00 0.00 C ATOM 853 CG LYS A 60 4.470 -4.370 8.499 1.00 0.00 C ATOM 854 CD LYS A 60 4.485 -4.717 9.978 1.00 0.00 C ATOM 855 CE LYS A 60 3.127 -5.216 10.447 1.00 0.00 C ATOM 856 NZ LYS A 60 3.013 -5.201 11.932 1.00 0.00 N ATOM 0 H LYS A 60 2.485 -6.518 6.891 1.00 0.00 H new ATOM 0 HA LYS A 60 4.409 -4.561 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.524 -6.479 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.925 -5.614 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.169 -3.555 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.479 -4.013 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.239 -5.481 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.770 -3.838 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.343 -4.593 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.966 -6.230 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.073 -5.548 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.745 -5.815 12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.141 -4.229 12.280 1.00 0.00 H new ATOM 870 N THR A 61 5.762 -6.189 4.488 1.00 0.00 N ATOM 871 CA THR A 61 6.444 -7.115 3.593 1.00 0.00 C ATOM 872 C THR A 61 7.898 -6.707 3.385 1.00 0.00 C ATOM 873 O THR A 61 8.199 -5.532 3.175 1.00 0.00 O ATOM 874 CB THR A 61 5.743 -7.191 2.224 1.00 0.00 C ATOM 875 OG1 THR A 61 6.271 -8.284 1.463 1.00 0.00 O ATOM 876 CG2 THR A 61 5.923 -5.894 1.450 1.00 0.00 C ATOM 0 H THR A 61 6.040 -5.214 4.377 1.00 0.00 H new ATOM 0 HA THR A 61 6.409 -8.096 4.066 1.00 0.00 H new ATOM 0 HB THR A 61 4.678 -7.348 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.716 -8.427 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.419 -5.972 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.494 -5.069 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.985 -5.710 1.290 1.00 0.00 H new ATOM 884 N SER A 62 8.796 -7.686 3.443 1.00 0.00 N ATOM 885 CA SER A 62 10.220 -7.428 3.263 1.00 0.00 C ATOM 886 C SER A 62 10.490 -6.798 1.900 1.00 0.00 C ATOM 887 O SER A 62 11.343 -5.921 1.769 1.00 0.00 O ATOM 888 CB SER A 62 11.017 -8.726 3.405 1.00 0.00 C ATOM 889 OG SER A 62 10.759 -9.603 2.322 1.00 0.00 O ATOM 0 H SER A 62 8.563 -8.664 3.613 1.00 0.00 H new ATOM 0 HA SER A 62 10.538 -6.729 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.082 -8.500 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.757 -9.215 4.344 1.00 0.00 H new ATOM 0 HG SER A 62 11.281 -10.425 2.435 1.00 0.00 H new ATOM 895 N GLU A 63 9.757 -7.253 0.889 1.00 0.00 N ATOM 896 CA GLU A 63 9.919 -6.735 -0.464 1.00 0.00 C ATOM 897 C GLU A 63 9.206 -5.395 -0.623 1.00 0.00 C ATOM 898 O GLU A 63 8.491 -4.951 0.274 1.00 0.00 O ATOM 899 CB GLU A 63 9.377 -7.737 -1.486 1.00 0.00 C ATOM 900 CG GLU A 63 7.893 -8.024 -1.329 1.00 0.00 C ATOM 901 CD GLU A 63 7.523 -9.433 -1.752 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.357 -10.345 -1.568 1.00 0.00 O ATOM 903 OE2 GLU A 63 6.402 -9.623 -2.267 1.00 0.00 O ATOM 0 H GLU A 63 9.046 -7.978 0.981 1.00 0.00 H new ATOM 0 HA GLU A 63 10.984 -6.584 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.560 -7.354 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.931 -8.671 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.606 -7.874 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.324 -7.309 -1.923 1.00 0.00 H new ATOM 910 N ASN A 64 9.407 -4.756 -1.771 1.00 0.00 N ATOM 911 CA ASN A 64 8.785 -3.467 -2.047 1.00 0.00 C ATOM 912 C ASN A 64 7.484 -3.646 -2.824 1.00 0.00 C ATOM 913 O ASN A 64 7.085 -2.773 -3.595 1.00 0.00 O ATOM 914 CB ASN A 64 9.744 -2.573 -2.836 1.00 0.00 C ATOM 915 CG ASN A 64 10.107 -3.163 -4.185 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.736 -4.294 -4.500 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.837 -2.398 -4.988 1.00 0.00 N ATOM 0 H ASN A 64 9.996 -5.110 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 64 8.556 -2.991 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.287 -1.594 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.653 -2.417 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.113 -2.742 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.122 -1.467 -4.685 1.00 0.00 H new ATOM 924 N ARG A 65 6.827 -4.782 -2.613 1.00 0.00 N ATOM 925 CA ARG A 65 5.572 -5.075 -3.294 1.00 0.00 C ATOM 926 C ARG A 65 4.717 -6.034 -2.469 1.00 0.00 C ATOM 927 O ARG A 65 5.234 -6.789 -1.646 1.00 0.00 O ATOM 928 CB ARG A 65 5.843 -5.677 -4.674 1.00 0.00 C ATOM 929 CG ARG A 65 6.692 -6.937 -4.633 1.00 0.00 C ATOM 930 CD ARG A 65 8.177 -6.609 -4.654 1.00 0.00 C ATOM 931 NE ARG A 65 8.995 -7.790 -4.918 1.00 0.00 N ATOM 932 CZ ARG A 65 9.205 -8.280 -6.135 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.661 -7.694 -7.193 1.00 0.00 N ATOM 934 NH2 ARG A 65 9.961 -9.359 -6.295 1.00 0.00 N ATOM 0 H ARG A 65 7.143 -5.514 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 65 5.027 -4.139 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.892 -5.906 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.342 -4.933 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.457 -7.506 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.446 -7.571 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.371 -5.856 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.466 -6.175 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 65 9.428 -8.264 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.079 -6.865 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.824 -8.073 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.381 -9.812 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.122 -9.735 -7.229 1.00 0.00 H new ATOM 948 N ALA A 66 3.408 -5.996 -2.695 1.00 0.00 N ATOM 949 CA ALA A 66 2.483 -6.861 -1.974 1.00 0.00 C ATOM 950 C ALA A 66 1.255 -7.178 -2.821 1.00 0.00 C ATOM 951 O ALA A 66 1.020 -6.545 -3.849 1.00 0.00 O ATOM 952 CB ALA A 66 2.068 -6.213 -0.661 1.00 0.00 C ATOM 0 H ALA A 66 2.964 -5.375 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 66 2.995 -7.799 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.377 -6.870 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.950 -6.043 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.579 -5.260 -0.864 1.00 0.00 H new ATOM 958 N GLU A 67 0.477 -8.162 -2.381 1.00 0.00 N ATOM 959 CA GLU A 67 -0.726 -8.564 -3.101 1.00 0.00 C ATOM 960 C GLU A 67 -1.909 -8.703 -2.148 1.00 0.00 C ATOM 961 O GLU A 67 -1.917 -9.569 -1.272 1.00 0.00 O ATOM 962 CB GLU A 67 -0.490 -9.885 -3.836 1.00 0.00 C ATOM 963 CG GLU A 67 -1.632 -10.282 -4.756 1.00 0.00 C ATOM 964 CD GLU A 67 -1.352 -11.565 -5.514 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.258 -11.679 -6.105 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.228 -12.455 -5.517 1.00 0.00 O ATOM 0 H GLU A 67 0.658 -8.695 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.959 -7.788 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.426 -9.807 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.333 -10.676 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.542 -10.403 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.817 -9.477 -5.467 1.00 0.00 H new ATOM 973 N LEU A 68 -2.907 -7.845 -2.325 1.00 0.00 N ATOM 974 CA LEU A 68 -4.097 -7.871 -1.481 1.00 0.00 C ATOM 975 C LEU A 68 -5.168 -8.779 -2.077 1.00 0.00 C ATOM 976 O LEU A 68 -5.622 -8.565 -3.201 1.00 0.00 O ATOM 977 CB LEU A 68 -4.652 -6.457 -1.304 1.00 0.00 C ATOM 978 CG LEU A 68 -3.671 -5.413 -0.768 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.289 -4.024 -0.821 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.249 -5.757 0.652 1.00 0.00 C ATOM 0 H LEU A 68 -2.916 -7.123 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.812 -8.267 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.028 -6.112 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.506 -6.505 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.783 -5.418 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.577 -3.294 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.540 -3.777 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.193 -4.005 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.551 -5.003 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.127 -5.781 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.766 -6.734 0.661 1.00 0.00 H new ATOM 992 N ARG A 69 -5.568 -9.792 -1.316 1.00 0.00 N ATOM 993 CA ARG A 69 -6.587 -10.732 -1.768 1.00 0.00 C ATOM 994 C ARG A 69 -7.901 -10.509 -1.025 1.00 0.00 C ATOM 995 O ARG A 69 -7.908 -10.210 0.168 1.00 0.00 O ATOM 996 CB ARG A 69 -6.110 -12.171 -1.563 1.00 0.00 C ATOM 997 CG ARG A 69 -4.946 -12.561 -2.459 1.00 0.00 C ATOM 998 CD ARG A 69 -4.202 -13.768 -1.911 1.00 0.00 C ATOM 999 NE ARG A 69 -3.568 -13.484 -0.627 1.00 0.00 N ATOM 1000 CZ ARG A 69 -3.089 -14.424 0.180 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.171 -15.702 -0.163 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.526 -14.087 1.334 1.00 0.00 N ATOM 0 H ARG A 69 -5.202 -9.983 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.758 -10.561 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.816 -12.302 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.942 -12.850 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.315 -12.783 -3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.259 -11.720 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.896 -14.600 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.444 -14.082 -2.628 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.489 -12.510 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.603 -15.966 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.802 -16.422 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.461 -13.105 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.159 -14.810 1.953 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.012 -10.657 -1.741 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.316 -10.468 -1.133 1.00 0.00 C ATOM 1018 C GLY A 70 -10.668 -9.004 -0.960 1.00 0.00 C ATOM 1019 O GLY A 70 -10.451 -8.427 0.107 1.00 0.00 O ATOM 0 H GLY A 70 -9.032 -10.904 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.074 -10.950 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.335 -10.960 -0.161 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.211 -8.399 -2.011 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.592 -6.991 -1.972 1.00 0.00 C ATOM 1025 C LEU A 71 -12.778 -6.722 -2.893 1.00 0.00 C ATOM 1026 O LEU A 71 -13.188 -7.590 -3.664 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.408 -6.110 -2.375 1.00 0.00 C ATOM 1028 CG LEU A 71 -9.105 -6.345 -1.609 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.918 -5.826 -2.405 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.165 -5.681 -0.241 1.00 0.00 C ATOM 0 H LEU A 71 -11.397 -8.861 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.886 -6.748 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.214 -6.260 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.697 -5.067 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.978 -7.418 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.000 -6.002 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.865 -6.347 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.037 -4.757 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.230 -5.858 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.315 -4.608 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.993 -6.100 0.331 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.323 -5.514 -2.809 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.460 -5.127 -3.636 1.00 0.00 C ATOM 1044 C LYS A 72 -13.991 -4.494 -4.942 1.00 0.00 C ATOM 1045 O LYS A 72 -13.063 -3.685 -4.953 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.361 -4.150 -2.878 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.850 -4.685 -1.543 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.152 -5.453 -1.693 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.953 -5.451 -0.400 1.00 0.00 C ATOM 1050 NZ LYS A 72 -17.590 -6.598 0.479 1.00 0.00 N ATOM 0 H LYS A 72 -12.995 -4.785 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.029 -6.027 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.816 -3.221 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.222 -3.906 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.090 -5.336 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.993 -3.857 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.747 -5.010 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.938 -6.480 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.780 -4.516 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.017 -5.494 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.157 -6.561 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.779 -7.491 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.580 -6.544 0.721 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.640 -4.866 -6.041 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.289 -4.333 -7.352 1.00 0.00 C ATOM 1066 C ARG A 73 -15.122 -3.096 -7.677 1.00 0.00 C ATOM 1067 O ARG A 73 -15.789 -3.038 -8.710 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.497 -5.398 -8.431 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.886 -6.014 -8.419 1.00 0.00 C ATOM 1070 CD ARG A 73 -16.206 -6.690 -9.743 1.00 0.00 C ATOM 1071 NE ARG A 73 -16.142 -5.757 -10.864 1.00 0.00 N ATOM 1072 CZ ARG A 73 -17.121 -4.916 -11.179 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -18.235 -4.893 -10.459 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -16.988 -4.097 -12.214 1.00 0.00 N ATOM 0 H ARG A 73 -15.411 -5.534 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.237 -4.047 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.315 -4.953 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.757 -6.188 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.955 -6.742 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.627 -5.241 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.505 -7.507 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.202 -7.130 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.298 -5.750 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.341 -5.521 -9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.986 -4.247 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.133 -4.112 -12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.741 -3.452 -12.454 1.00 0.00 H new ATOM 1088 N GLY A 74 -15.079 -2.109 -6.787 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.834 -0.888 -6.997 1.00 0.00 C ATOM 1090 C GLY A 74 -15.594 0.136 -5.905 1.00 0.00 C ATOM 1091 O GLY A 74 -15.461 1.328 -6.182 1.00 0.00 O ATOM 0 H GLY A 74 -14.535 -2.134 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.562 -0.457 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.897 -1.125 -7.042 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.541 -0.328 -4.661 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.316 0.556 -3.525 1.00 0.00 C ATOM 1097 C ALA A 75 -13.930 1.188 -3.587 1.00 0.00 C ATOM 1098 O ALA A 75 -12.957 0.537 -3.969 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.492 -0.207 -2.220 1.00 0.00 C ATOM 0 H ALA A 75 -15.651 -1.312 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.054 1.357 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.321 0.466 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.505 -0.606 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.776 -1.028 -2.179 1.00 0.00 H new ATOM 1105 N SER A 76 -13.847 2.460 -3.210 1.00 0.00 N ATOM 1106 CA SER A 76 -12.580 3.181 -3.228 1.00 0.00 C ATOM 1107 C SER A 76 -11.645 2.664 -2.139 1.00 0.00 C ATOM 1108 O SER A 76 -12.067 2.416 -1.009 1.00 0.00 O ATOM 1109 CB SER A 76 -12.819 4.681 -3.040 1.00 0.00 C ATOM 1110 OG SER A 76 -13.060 5.318 -4.283 1.00 0.00 O ATOM 0 H SER A 76 -14.642 3.012 -2.889 1.00 0.00 H new ATOM 0 HA SER A 76 -12.109 3.014 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.670 4.837 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.952 5.133 -2.558 1.00 0.00 H new ATOM 0 HG SER A 76 -13.211 6.275 -4.136 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.373 2.504 -2.487 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.377 2.014 -1.541 1.00 0.00 C ATOM 1118 C TYR A 77 -8.090 2.826 -1.636 1.00 0.00 C ATOM 1119 O TYR A 77 -7.363 2.747 -2.627 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.081 0.536 -1.801 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.001 -0.406 -1.057 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.852 -0.620 0.308 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -11.018 -1.082 -1.719 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.690 -1.480 0.991 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.862 -1.943 -1.043 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.693 -2.138 0.312 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.530 -2.996 0.988 1.00 0.00 O ATOM 0 H TYR A 77 -10.007 2.706 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.782 2.126 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.162 0.341 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.050 0.325 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.068 -0.105 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.152 -0.932 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.560 -1.636 2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.649 -2.460 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.182 -3.377 0.363 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.813 3.607 -0.597 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.613 4.435 -0.560 1.00 0.00 C ATOM 1139 C LEU A 78 -5.437 3.664 0.030 1.00 0.00 C ATOM 1140 O LEU A 78 -5.316 3.532 1.248 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.868 5.703 0.257 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.048 6.565 -0.193 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.522 7.457 0.944 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.664 7.403 -1.405 1.00 0.00 C ATOM 0 H LEU A 78 -8.404 3.684 0.231 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.363 4.714 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.029 5.415 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.966 6.315 0.232 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.868 5.905 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.362 8.063 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.837 6.839 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.707 8.110 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.515 8.010 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.828 8.054 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.373 6.746 -2.224 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.571 3.157 -0.841 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.402 2.401 -0.406 1.00 0.00 C ATOM 1158 C VAL A 79 -2.191 3.312 -0.237 1.00 0.00 C ATOM 1159 O VAL A 79 -1.825 4.050 -1.151 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.054 1.282 -1.405 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.833 0.506 -0.933 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.243 0.354 -1.601 1.00 0.00 C ATOM 0 H VAL A 79 -4.657 3.256 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.654 1.954 0.556 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.816 1.738 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.602 -0.281 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.982 1.182 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.039 0.060 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.979 -0.431 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.515 -0.096 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.089 0.923 -1.987 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.573 3.253 0.939 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.402 4.073 1.228 1.00 0.00 C ATOM 1174 C GLN A 80 0.795 3.202 1.596 1.00 0.00 C ATOM 1175 O GLN A 80 0.765 2.475 2.589 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.706 5.050 2.365 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.786 6.063 2.023 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.351 6.750 3.251 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -2.823 6.096 4.181 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -2.304 8.078 3.262 1.00 0.00 N ATOM 0 H GLN A 80 -1.863 2.647 1.706 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.154 4.638 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.014 4.486 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.208 5.581 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.374 6.814 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.593 5.562 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.904 8.581 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.668 8.595 4.063 1.00 0.00 H new ATOM 1189 N VAL A 81 1.848 3.280 0.788 1.00 0.00 N ATOM 1190 CA VAL A 81 3.056 2.500 1.029 1.00 0.00 C ATOM 1191 C VAL A 81 4.130 3.345 1.705 1.00 0.00 C ATOM 1192 O VAL A 81 4.322 4.512 1.364 1.00 0.00 O ATOM 1193 CB VAL A 81 3.622 1.923 -0.282 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.896 1.137 -0.013 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.583 1.051 -0.971 1.00 0.00 C ATOM 0 H VAL A 81 1.889 3.876 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 81 2.776 1.678 1.688 1.00 0.00 H new ATOM 0 HB VAL A 81 3.868 2.750 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.281 0.737 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.641 1.794 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.679 0.316 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.999 0.651 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.304 0.228 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.700 1.648 -1.199 1.00 0.00 H new ATOM 1205 N ARG A 82 4.828 2.747 2.665 1.00 0.00 N ATOM 1206 CA ARG A 82 5.883 3.445 3.390 1.00 0.00 C ATOM 1207 C ARG A 82 7.138 2.582 3.487 1.00 0.00 C ATOM 1208 O ARG A 82 7.063 1.354 3.452 1.00 0.00 O ATOM 1209 CB ARG A 82 5.402 3.825 4.792 1.00 0.00 C ATOM 1210 CG ARG A 82 5.095 2.627 5.676 1.00 0.00 C ATOM 1211 CD ARG A 82 5.327 2.946 7.145 1.00 0.00 C ATOM 1212 NE ARG A 82 4.129 3.484 7.784 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.156 4.245 8.872 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.313 4.555 9.440 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.023 4.697 9.395 1.00 0.00 N ATOM 0 H ARG A 82 4.682 1.781 2.959 1.00 0.00 H new ATOM 0 HA ARG A 82 6.129 4.353 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.164 4.437 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.507 4.441 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.060 2.320 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.722 1.786 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.641 2.042 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.141 3.666 7.236 1.00 0.00 H new ATOM 0 HE ARG A 82 3.222 3.263 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.186 4.209 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.330 5.140 10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.131 4.460 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.044 5.281 10.231 1.00 0.00 H new ATOM 1229 N ALA A 83 8.289 3.234 3.610 1.00 0.00 N ATOM 1230 CA ALA A 83 9.560 2.526 3.714 1.00 0.00 C ATOM 1231 C ALA A 83 10.150 2.661 5.113 1.00 0.00 C ATOM 1232 O ALA A 83 9.916 3.654 5.803 1.00 0.00 O ATOM 1233 CB ALA A 83 10.540 3.047 2.673 1.00 0.00 C ATOM 0 H ALA A 83 8.368 4.250 3.640 1.00 0.00 H new ATOM 0 HA ALA A 83 9.376 1.468 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.484 2.510 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.127 2.893 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.711 4.111 2.835 1.00 0.00 H new ATOM 1239 N ARG A 84 10.916 1.657 5.527 1.00 0.00 N ATOM 1240 CA ARG A 84 11.538 1.663 6.845 1.00 0.00 C ATOM 1241 C ARG A 84 13.051 1.498 6.733 1.00 0.00 C ATOM 1242 O ARG A 84 13.538 0.603 6.043 1.00 0.00 O ATOM 1243 CB ARG A 84 10.955 0.546 7.713 1.00 0.00 C ATOM 1244 CG ARG A 84 11.759 0.272 8.974 1.00 0.00 C ATOM 1245 CD ARG A 84 11.297 -1.002 9.663 1.00 0.00 C ATOM 1246 NE ARG A 84 12.363 -1.616 10.450 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.181 -2.671 11.237 1.00 0.00 C ATOM 1248 NH1 ARG A 84 10.981 -3.227 11.340 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.200 -3.173 11.922 1.00 0.00 N ATOM 0 H ARG A 84 11.121 0.829 4.968 1.00 0.00 H new ATOM 0 HA ARG A 84 11.328 2.625 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.935 0.810 7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.897 -0.369 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.816 0.188 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.661 1.114 9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.451 -0.777 10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.944 -1.712 8.914 1.00 0.00 H new ATOM 0 HE ARG A 84 13.298 -1.213 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.195 -2.845 10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.844 -4.037 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.125 -2.749 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.059 -3.983 12.526 1.00 0.00 H new ATOM 1263 N SER A 85 13.788 2.367 7.417 1.00 0.00 N ATOM 1264 CA SER A 85 15.245 2.320 7.390 1.00 0.00 C ATOM 1265 C SER A 85 15.812 2.248 8.805 1.00 0.00 C ATOM 1266 O SER A 85 15.105 2.495 9.781 1.00 0.00 O ATOM 1267 CB SER A 85 15.803 3.548 6.668 1.00 0.00 C ATOM 1268 OG SER A 85 15.826 4.677 7.523 1.00 0.00 O ATOM 0 H SER A 85 13.400 3.112 7.996 1.00 0.00 H new ATOM 0 HA SER A 85 15.545 1.422 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.811 3.337 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.194 3.765 5.790 1.00 0.00 H new ATOM 0 HG SER A 85 16.188 5.448 7.038 1.00 0.00 H new ATOM 1274 N GLU A 86 17.093 1.908 8.906 1.00 0.00 N ATOM 1275 CA GLU A 86 17.755 1.802 10.201 1.00 0.00 C ATOM 1276 C GLU A 86 17.385 2.979 11.099 1.00 0.00 C ATOM 1277 O GLU A 86 17.097 2.804 12.282 1.00 0.00 O ATOM 1278 CB GLU A 86 19.273 1.742 10.020 1.00 0.00 C ATOM 1279 CG GLU A 86 19.740 0.563 9.183 1.00 0.00 C ATOM 1280 CD GLU A 86 21.139 0.105 9.550 1.00 0.00 C ATOM 1281 OE1 GLU A 86 21.341 -0.310 10.710 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.030 0.161 8.677 1.00 0.00 O ATOM 0 H GLU A 86 17.693 1.701 8.107 1.00 0.00 H new ATOM 0 HA GLU A 86 17.417 0.882 10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.611 2.666 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.746 1.690 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.045 -0.267 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.717 0.839 8.129 1.00 0.00 H new ATOM 1289 N ALA A 87 17.396 4.178 10.527 1.00 0.00 N ATOM 1290 CA ALA A 87 17.061 5.384 11.274 1.00 0.00 C ATOM 1291 C ALA A 87 15.657 5.293 11.863 1.00 0.00 C ATOM 1292 O ALA A 87 15.444 5.596 13.036 1.00 0.00 O ATOM 1293 CB ALA A 87 17.181 6.609 10.380 1.00 0.00 C ATOM 0 H ALA A 87 17.633 4.340 9.548 1.00 0.00 H new ATOM 0 HA ALA A 87 17.768 5.478 12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.928 7.502 10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.203 6.692 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.498 6.512 9.536 1.00 0.00 H new ATOM 1299 N GLY A 88 14.701 4.872 11.040 1.00 0.00 N ATOM 1300 CA GLY A 88 13.329 4.749 11.497 1.00 0.00 C ATOM 1301 C GLY A 88 12.338 4.698 10.351 1.00 0.00 C ATOM 1302 O GLY A 88 12.724 4.529 9.195 1.00 0.00 O ATOM 0 H GLY A 88 14.852 4.614 10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.230 3.846 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.088 5.592 12.144 1.00 0.00 H new ATOM 1306 N TYR A 89 11.058 4.842 10.672 1.00 0.00 N ATOM 1307 CA TYR A 89 10.007 4.807 9.661 1.00 0.00 C ATOM 1308 C TYR A 89 9.856 6.167 8.986 1.00 0.00 C ATOM 1309 O TYR A 89 10.157 7.203 9.576 1.00 0.00 O ATOM 1310 CB TYR A 89 8.678 4.388 10.291 1.00 0.00 C ATOM 1311 CG TYR A 89 8.496 2.889 10.378 1.00 0.00 C ATOM 1312 CD1 TYR A 89 9.027 2.165 11.438 1.00 0.00 C ATOM 1313 CD2 TYR A 89 7.793 2.197 9.400 1.00 0.00 C ATOM 1314 CE1 TYR A 89 8.864 0.796 11.522 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.623 0.828 9.476 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.161 0.132 10.538 1.00 0.00 C ATOM 1317 OH TYR A 89 7.995 -1.232 10.617 1.00 0.00 O ATOM 0 H TYR A 89 10.722 4.984 11.625 1.00 0.00 H new ATOM 0 HA TYR A 89 10.290 4.075 8.905 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.610 4.813 11.293 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.860 4.812 9.709 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.577 2.682 12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.372 2.738 8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.284 0.249 12.353 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.072 0.306 8.708 1.00 0.00 H new ATOM 0 HH TYR A 89 7.476 -1.544 9.846 1.00 0.00 H new ATOM 1327 N GLY A 90 9.387 6.153 7.742 1.00 0.00 N ATOM 1328 CA GLY A 90 9.202 7.389 7.005 1.00 0.00 C ATOM 1329 C GLY A 90 7.747 7.657 6.676 1.00 0.00 C ATOM 1330 O GLY A 90 6.883 6.796 6.839 1.00 0.00 O ATOM 0 H GLY A 90 9.132 5.308 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.598 8.219 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.778 7.347 6.081 1.00 0.00 H new ATOM 1334 N PRO A 91 7.458 8.879 6.203 1.00 0.00 N ATOM 1335 CA PRO A 91 6.097 9.286 5.842 1.00 0.00 C ATOM 1336 C PRO A 91 5.591 8.575 4.592 1.00 0.00 C ATOM 1337 O PRO A 91 6.326 8.414 3.616 1.00 0.00 O ATOM 1338 CB PRO A 91 6.234 10.789 5.584 1.00 0.00 C ATOM 1339 CG PRO A 91 7.661 10.980 5.203 1.00 0.00 C ATOM 1340 CD PRO A 91 8.438 9.955 5.983 1.00 0.00 C ATOM 0 HA PRO A 91 5.377 9.037 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.565 11.117 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 91 5.981 11.368 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.800 10.843 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.997 11.989 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.306 9.600 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.807 10.361 6.925 1.00 0.00 H new ATOM 1348 N PHE A 92 4.333 8.151 4.626 1.00 0.00 N ATOM 1349 CA PHE A 92 3.728 7.456 3.495 1.00 0.00 C ATOM 1350 C PHE A 92 3.922 8.246 2.205 1.00 0.00 C ATOM 1351 O PHE A 92 4.031 9.471 2.225 1.00 0.00 O ATOM 1352 CB PHE A 92 2.237 7.227 3.748 1.00 0.00 C ATOM 1353 CG PHE A 92 1.951 6.029 4.607 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.121 4.747 4.110 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.511 6.184 5.911 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.859 3.642 4.897 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.247 5.083 6.704 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.421 3.811 6.196 1.00 0.00 C ATOM 0 H PHE A 92 3.711 8.276 5.425 1.00 0.00 H new ATOM 0 HA PHE A 92 4.223 6.491 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.817 8.113 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.729 7.108 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.463 4.610 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.373 7.177 6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.996 2.648 4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.905 5.218 7.720 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.215 2.949 6.814 1.00 0.00 H new ATOM 1368 N GLY A 93 3.965 7.534 1.082 1.00 0.00 N ATOM 1369 CA GLY A 93 4.146 8.185 -0.202 1.00 0.00 C ATOM 1370 C GLY A 93 2.854 8.755 -0.751 1.00 0.00 C ATOM 1371 O GLY A 93 1.820 8.721 -0.083 1.00 0.00 O ATOM 0 H GLY A 93 3.878 6.519 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.878 8.986 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.555 7.469 -0.914 1.00 0.00 H new ATOM 1375 N GLN A 94 2.911 9.281 -1.970 1.00 0.00 N ATOM 1376 CA GLN A 94 1.736 9.863 -2.607 1.00 0.00 C ATOM 1377 C GLN A 94 0.602 8.846 -2.691 1.00 0.00 C ATOM 1378 O GLN A 94 0.685 7.872 -3.438 1.00 0.00 O ATOM 1379 CB GLN A 94 2.086 10.371 -4.007 1.00 0.00 C ATOM 1380 CG GLN A 94 1.233 11.544 -4.460 1.00 0.00 C ATOM 1381 CD GLN A 94 1.424 11.872 -5.928 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.267 12.694 -6.287 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.640 11.229 -6.785 1.00 0.00 N ATOM 0 H GLN A 94 3.759 9.316 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 94 1.403 10.703 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.135 10.667 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.973 9.554 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.183 11.317 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.480 12.420 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.045 10.556 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.723 11.408 -7.786 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.455 9.080 -1.919 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.604 8.182 -1.907 1.00 0.00 C ATOM 1394 C GLU A 95 -1.978 7.757 -3.324 1.00 0.00 C ATOM 1395 O GLU A 95 -1.769 8.501 -4.283 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.800 8.859 -1.233 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.464 9.919 -2.095 1.00 0.00 C ATOM 1398 CD GLU A 95 -2.880 11.301 -1.874 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.042 11.841 -0.759 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -2.262 11.842 -2.814 1.00 0.00 O ATOM 0 H GLU A 95 -0.539 9.882 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.332 7.292 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.538 8.100 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.470 9.316 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.357 9.647 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.532 9.941 -1.879 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.531 6.555 -3.448 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.934 6.029 -4.748 1.00 0.00 C ATOM 1409 C HIS A 96 -4.326 5.408 -4.674 1.00 0.00 C ATOM 1410 O HIS A 96 -4.681 4.771 -3.682 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.924 4.991 -5.237 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.150 4.557 -6.653 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -3.129 3.657 -7.017 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.517 4.906 -7.797 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -3.088 3.470 -8.324 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.119 4.216 -8.821 1.00 0.00 N ATOM 0 H HIS A 96 -2.710 5.927 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.962 6.858 -5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.919 5.404 -5.148 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.969 4.118 -4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.693 5.598 -7.888 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.737 2.818 -8.890 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.859 4.271 -9.806 1.00 0.00 H new ATOM 1425 N HIS A 97 -5.110 5.598 -5.730 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.463 5.057 -5.785 1.00 0.00 C ATOM 1427 C HIS A 97 -6.536 3.874 -6.747 1.00 0.00 C ATOM 1428 O HIS A 97 -6.580 4.053 -7.964 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.452 6.141 -6.216 1.00 0.00 C ATOM 1430 CG HIS A 97 -7.354 7.396 -5.406 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -6.341 8.318 -5.565 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -8.152 7.882 -4.426 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.519 9.315 -4.717 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -7.611 9.075 -4.014 1.00 0.00 N ATOM 0 H HIS A 97 -4.832 6.123 -6.559 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.729 4.709 -4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.281 6.381 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.466 5.748 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.047 7.418 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.880 10.180 -4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.991 9.678 -3.284 1.00 0.00 H new ATOM 1443 N SER A 98 -6.549 2.666 -6.191 1.00 0.00 N ATOM 1444 CA SER A 98 -6.611 1.454 -7.000 1.00 0.00 C ATOM 1445 C SER A 98 -7.885 1.426 -7.839 1.00 0.00 C ATOM 1446 O SER A 98 -8.984 1.637 -7.325 1.00 0.00 O ATOM 1447 CB SER A 98 -6.550 0.215 -6.104 1.00 0.00 C ATOM 1448 OG SER A 98 -5.327 0.163 -5.390 1.00 0.00 O ATOM 0 H SER A 98 -6.517 2.501 -5.185 1.00 0.00 H new ATOM 0 HA SER A 98 -5.753 1.451 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.384 0.228 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.659 -0.683 -6.712 1.00 0.00 H new ATOM 0 HG SER A 98 -5.313 -0.636 -4.823 1.00 0.00 H new