USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 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 92:sc= 0.00883 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 54:sc= 0.567 USER MOD Single : A 20 SER OG : rot 174:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 110:sc= -0.978 USER MOD Single : A 25 SER OG : rot -4:sc= 0.245 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.24) 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 180:sc= 0.139 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.6!) 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= -6.28! C(o=-6.3!,f=-17!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.134 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0858 K(o=-0.086,f=-2.5!) USER MOD Single : A 96 HIS : no HD1:sc= -0.728 X(o=-0.73,f=-0.81) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.887 6.812 5.241 1.00 0.00 N ATOM 67 CA PRO A 8 13.901 7.049 3.794 1.00 0.00 C ATOM 68 C PRO A 8 12.782 7.983 3.349 1.00 0.00 C ATOM 69 O PRO A 8 11.827 8.240 4.082 1.00 0.00 O ATOM 70 CB PRO A 8 13.699 5.651 3.204 1.00 0.00 C ATOM 71 CG PRO A 8 12.983 4.891 4.266 1.00 0.00 C ATOM 72 CD PRO A 8 13.486 5.434 5.575 1.00 0.00 C ATOM 0 HA PRO A 8 14.821 7.534 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.116 5.690 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.652 5.184 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.904 5.021 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.183 3.823 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.712 5.415 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.326 4.852 5.956 1.00 0.00 H new ATOM 80 N PRO A 9 12.899 8.503 2.118 1.00 0.00 N ATOM 81 CA PRO A 9 11.904 9.416 1.546 1.00 0.00 C ATOM 82 C PRO A 9 10.587 8.715 1.231 1.00 0.00 C ATOM 83 O PRO A 9 10.575 7.573 0.774 1.00 0.00 O ATOM 84 CB PRO A 9 12.571 9.906 0.258 1.00 0.00 C ATOM 85 CG PRO A 9 13.526 8.822 -0.110 1.00 0.00 C ATOM 86 CD PRO A 9 14.011 8.239 1.189 1.00 0.00 C ATOM 0 HA PRO A 9 11.641 10.217 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.836 10.071 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.088 10.853 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.038 8.062 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.357 9.216 -0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.215 7.172 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.934 8.713 1.522 1.00 0.00 H new ATOM 94 N ALA A 10 9.480 9.407 1.478 1.00 0.00 N ATOM 95 CA ALA A 10 8.158 8.851 1.218 1.00 0.00 C ATOM 96 C ALA A 10 8.127 8.109 -0.113 1.00 0.00 C ATOM 97 O ALA A 10 8.446 8.674 -1.159 1.00 0.00 O ATOM 98 CB ALA A 10 7.110 9.954 1.234 1.00 0.00 C ATOM 0 H ALA A 10 9.472 10.354 1.858 1.00 0.00 H new ATOM 0 HA ALA A 10 7.930 8.136 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.127 9.525 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.107 10.439 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.344 10.690 0.465 1.00 0.00 H new ATOM 104 N VAL A 11 7.740 6.837 -0.067 1.00 0.00 N ATOM 105 CA VAL A 11 7.667 6.017 -1.270 1.00 0.00 C ATOM 106 C VAL A 11 7.000 6.774 -2.413 1.00 0.00 C ATOM 107 O VAL A 11 5.842 7.180 -2.309 1.00 0.00 O ATOM 108 CB VAL A 11 6.892 4.711 -1.013 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.826 3.871 -2.279 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.531 3.928 0.124 1.00 0.00 C ATOM 0 H VAL A 11 7.473 6.353 0.790 1.00 0.00 H new ATOM 0 HA VAL A 11 8.692 5.774 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 11 5.873 4.965 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.275 2.952 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.320 4.434 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.836 3.624 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.971 3.008 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.561 3.683 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.520 4.531 1.032 1.00 0.00 H new ATOM 120 N SER A 12 7.737 6.961 -3.502 1.00 0.00 N ATOM 121 CA SER A 12 7.218 7.673 -4.664 1.00 0.00 C ATOM 122 C SER A 12 7.048 6.728 -5.849 1.00 0.00 C ATOM 123 O SER A 12 7.373 5.543 -5.764 1.00 0.00 O ATOM 124 CB SER A 12 8.154 8.823 -5.044 1.00 0.00 C ATOM 125 OG SER A 12 9.261 8.353 -5.793 1.00 0.00 O ATOM 0 H SER A 12 8.696 6.629 -3.605 1.00 0.00 H new ATOM 0 HA SER A 12 6.241 8.080 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.606 9.565 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.507 9.322 -4.142 1.00 0.00 H new ATOM 0 HG SER A 12 9.051 8.395 -6.749 1.00 0.00 H new ATOM 131 N ASP A 13 6.537 7.260 -6.954 1.00 0.00 N ATOM 132 CA ASP A 13 6.324 6.466 -8.158 1.00 0.00 C ATOM 133 C ASP A 13 5.766 5.090 -7.809 1.00 0.00 C ATOM 134 O ASP A 13 6.283 4.067 -8.259 1.00 0.00 O ATOM 135 CB ASP A 13 7.633 6.317 -8.935 1.00 0.00 C ATOM 136 CG ASP A 13 8.053 7.606 -9.614 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.463 7.945 -10.661 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.971 8.276 -9.098 1.00 0.00 O ATOM 0 H ASP A 13 6.262 8.239 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 13 5.597 6.986 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.421 5.995 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.520 5.535 -9.685 1.00 0.00 H new ATOM 143 N ILE A 14 4.709 5.072 -7.004 1.00 0.00 N ATOM 144 CA ILE A 14 4.081 3.822 -6.596 1.00 0.00 C ATOM 145 C ILE A 14 3.153 3.291 -7.683 1.00 0.00 C ATOM 146 O ILE A 14 2.016 3.743 -7.818 1.00 0.00 O ATOM 147 CB ILE A 14 3.280 3.994 -5.292 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.218 4.330 -4.131 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.484 2.733 -4.989 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.498 4.812 -2.891 1.00 0.00 C ATOM 0 H ILE A 14 4.270 5.909 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 14 4.885 3.106 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 14 2.581 4.820 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.804 3.446 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.922 5.097 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.923 2.870 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.792 2.534 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.166 1.890 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.226 5.031 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.934 5.715 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.814 4.038 -2.543 1.00 0.00 H new ATOM 162 N ARG A 15 3.646 2.328 -8.456 1.00 0.00 N ATOM 163 CA ARG A 15 2.860 1.735 -9.531 1.00 0.00 C ATOM 164 C ARG A 15 2.110 0.501 -9.040 1.00 0.00 C ATOM 165 O ARG A 15 2.624 -0.270 -8.230 1.00 0.00 O ATOM 166 CB ARG A 15 3.766 1.360 -10.706 1.00 0.00 C ATOM 167 CG ARG A 15 4.626 2.510 -11.203 1.00 0.00 C ATOM 168 CD ARG A 15 5.786 2.012 -12.051 1.00 0.00 C ATOM 169 NE ARG A 15 5.392 1.784 -13.438 1.00 0.00 N ATOM 170 CZ ARG A 15 5.258 2.756 -14.334 1.00 0.00 C ATOM 171 NH1 ARG A 15 5.486 4.016 -13.989 1.00 0.00 N ATOM 172 NH2 ARG A 15 4.895 2.469 -15.578 1.00 0.00 N ATOM 0 H ARG A 15 4.585 1.943 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 15 2.131 2.473 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.414 0.536 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.149 0.997 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.014 3.197 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.011 3.072 -10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.597 2.740 -12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.173 1.085 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 15 5.209 0.826 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.765 4.241 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.382 4.760 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.718 1.501 -15.847 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.793 3.216 -16.265 1.00 0.00 H new ATOM 186 N VAL A 16 0.889 0.321 -9.535 1.00 0.00 N ATOM 187 CA VAL A 16 0.067 -0.819 -9.147 1.00 0.00 C ATOM 188 C VAL A 16 -0.321 -1.655 -10.361 1.00 0.00 C ATOM 189 O VAL A 16 -1.094 -1.213 -11.212 1.00 0.00 O ATOM 190 CB VAL A 16 -1.212 -0.367 -8.418 1.00 0.00 C ATOM 191 CG1 VAL A 16 -1.881 0.773 -9.171 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.169 -1.537 -8.246 1.00 0.00 C ATOM 0 H VAL A 16 0.448 0.950 -10.205 1.00 0.00 H new ATOM 0 HA VAL A 16 0.667 -1.426 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.936 -0.004 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.783 1.079 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.195 1.617 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.145 0.440 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.067 -1.199 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.441 -1.932 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.686 -2.319 -7.661 1.00 0.00 H new ATOM 202 N THR A 17 0.220 -2.867 -10.436 1.00 0.00 N ATOM 203 CA THR A 17 -0.070 -3.766 -11.546 1.00 0.00 C ATOM 204 C THR A 17 -0.969 -4.915 -11.104 1.00 0.00 C ATOM 205 O THR A 17 -1.185 -5.122 -9.910 1.00 0.00 O ATOM 206 CB THR A 17 1.223 -4.345 -12.152 1.00 0.00 C ATOM 207 OG1 THR A 17 1.664 -5.469 -11.382 1.00 0.00 O ATOM 208 CG2 THR A 17 2.320 -3.291 -12.195 1.00 0.00 C ATOM 0 H THR A 17 0.862 -3.249 -9.741 1.00 0.00 H new ATOM 0 HA THR A 17 -0.586 -3.176 -12.303 1.00 0.00 H new ATOM 0 HB THR A 17 1.009 -4.665 -13.172 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.485 -5.832 -11.774 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.223 -3.723 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.992 -2.450 -12.806 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.531 -2.944 -11.183 1.00 0.00 H new ATOM 216 N ARG A 18 -1.490 -5.659 -12.074 1.00 0.00 N ATOM 217 CA ARG A 18 -2.366 -6.787 -11.783 1.00 0.00 C ATOM 218 C ARG A 18 -3.590 -6.335 -10.992 1.00 0.00 C ATOM 219 O ARG A 18 -3.891 -6.881 -9.930 1.00 0.00 O ATOM 220 CB ARG A 18 -1.608 -7.862 -11.001 1.00 0.00 C ATOM 221 CG ARG A 18 -2.227 -9.246 -11.111 1.00 0.00 C ATOM 222 CD ARG A 18 -1.769 -10.152 -9.980 1.00 0.00 C ATOM 223 NE ARG A 18 -2.275 -11.514 -10.130 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.858 -12.353 -11.071 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.933 -11.973 -11.941 1.00 0.00 N ATOM 226 NH2 ARG A 18 -2.367 -13.577 -11.144 1.00 0.00 N ATOM 0 H ARG A 18 -1.321 -5.501 -13.067 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.702 -7.207 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.580 -7.904 -11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.567 -7.574 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.314 -9.162 -11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.956 -9.692 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.680 -10.171 -9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.107 -9.743 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.988 -11.838 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.539 -11.034 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.615 -12.620 -12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.079 -13.874 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.046 -14.221 -11.867 1.00 0.00 H new ATOM 240 N SER A 19 -4.291 -5.335 -11.516 1.00 0.00 N ATOM 241 CA SER A 19 -5.480 -4.807 -10.857 1.00 0.00 C ATOM 242 C SER A 19 -6.612 -5.829 -10.877 1.00 0.00 C ATOM 243 O SER A 19 -7.476 -5.798 -11.753 1.00 0.00 O ATOM 244 CB SER A 19 -5.933 -3.513 -11.536 1.00 0.00 C ATOM 245 OG SER A 19 -6.172 -3.720 -12.918 1.00 0.00 O ATOM 0 H SER A 19 -4.056 -4.874 -12.395 1.00 0.00 H new ATOM 0 HA SER A 19 -5.225 -4.594 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.841 -3.146 -11.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.171 -2.744 -11.406 1.00 0.00 H new ATOM 0 HG SER A 19 -6.807 -4.458 -13.033 1.00 0.00 H new ATOM 251 N SER A 20 -6.600 -6.735 -9.904 1.00 0.00 N ATOM 252 CA SER A 20 -7.623 -7.770 -9.811 1.00 0.00 C ATOM 253 C SER A 20 -8.871 -7.239 -9.110 1.00 0.00 C ATOM 254 O SER A 20 -8.829 -6.251 -8.378 1.00 0.00 O ATOM 255 CB SER A 20 -7.081 -8.986 -9.059 1.00 0.00 C ATOM 256 OG SER A 20 -6.461 -9.901 -9.947 1.00 0.00 O ATOM 0 H SER A 20 -5.893 -6.773 -9.169 1.00 0.00 H new ATOM 0 HA SER A 20 -7.895 -8.069 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.362 -8.661 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.894 -9.482 -8.530 1.00 0.00 H new ATOM 0 HG SER A 20 -6.033 -10.617 -9.433 1.00 0.00 H new ATOM 262 N PRO A 21 -10.008 -7.911 -9.340 1.00 0.00 N ATOM 263 CA PRO A 21 -11.290 -7.527 -8.741 1.00 0.00 C ATOM 264 C PRO A 21 -11.327 -7.784 -7.238 1.00 0.00 C ATOM 265 O PRO A 21 -11.711 -6.911 -6.459 1.00 0.00 O ATOM 266 CB PRO A 21 -12.301 -8.422 -9.461 1.00 0.00 C ATOM 267 CG PRO A 21 -11.513 -9.609 -9.899 1.00 0.00 C ATOM 268 CD PRO A 21 -10.131 -9.099 -10.203 1.00 0.00 C ATOM 0 HA PRO A 21 -11.489 -6.461 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.116 -8.711 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.749 -7.908 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.486 -10.369 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.961 -10.072 -10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.368 -9.843 -9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.020 -8.843 -11.257 1.00 0.00 H new ATOM 276 N SER A 22 -10.925 -8.986 -6.838 1.00 0.00 N ATOM 277 CA SER A 22 -10.916 -9.358 -5.428 1.00 0.00 C ATOM 278 C SER A 22 -9.559 -9.061 -4.796 1.00 0.00 C ATOM 279 O SER A 22 -9.456 -8.852 -3.588 1.00 0.00 O ATOM 280 CB SER A 22 -11.251 -10.842 -5.268 1.00 0.00 C ATOM 281 OG SER A 22 -10.210 -11.658 -5.776 1.00 0.00 O ATOM 0 H SER A 22 -10.601 -9.718 -7.470 1.00 0.00 H new ATOM 0 HA SER A 22 -11.674 -8.764 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.414 -11.070 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.181 -11.066 -5.790 1.00 0.00 H new ATOM 0 HG SER A 22 -10.448 -12.602 -5.660 1.00 0.00 H new ATOM 287 N SER A 23 -8.519 -9.044 -5.624 1.00 0.00 N ATOM 288 CA SER A 23 -7.167 -8.777 -5.148 1.00 0.00 C ATOM 289 C SER A 23 -6.572 -7.562 -5.855 1.00 0.00 C ATOM 290 O SER A 23 -7.090 -7.108 -6.876 1.00 0.00 O ATOM 291 CB SER A 23 -6.274 -9.999 -5.371 1.00 0.00 C ATOM 292 OG SER A 23 -6.300 -10.409 -6.727 1.00 0.00 O ATOM 0 H SER A 23 -8.587 -9.212 -6.628 1.00 0.00 H new ATOM 0 HA SER A 23 -7.220 -8.565 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.251 -9.764 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.607 -10.818 -4.734 1.00 0.00 H new ATOM 0 HG SER A 23 -5.435 -10.215 -7.144 1.00 0.00 H new ATOM 298 N LEU A 24 -5.482 -7.040 -5.304 1.00 0.00 N ATOM 299 CA LEU A 24 -4.815 -5.878 -5.880 1.00 0.00 C ATOM 300 C LEU A 24 -3.324 -5.889 -5.555 1.00 0.00 C ATOM 301 O LEU A 24 -2.927 -5.666 -4.412 1.00 0.00 O ATOM 302 CB LEU A 24 -5.452 -4.589 -5.360 1.00 0.00 C ATOM 303 CG LEU A 24 -6.803 -4.214 -5.971 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.526 -3.207 -5.090 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.616 -3.659 -7.376 1.00 0.00 C ATOM 0 H LEU A 24 -5.041 -7.403 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.933 -5.923 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.576 -4.678 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.757 -3.768 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.414 -5.114 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.485 -2.952 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.692 -3.640 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.920 -2.306 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.587 -3.397 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.987 -2.770 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.140 -4.412 -8.004 1.00 0.00 H new ATOM 317 N SER A 25 -2.505 -6.147 -6.569 1.00 0.00 N ATOM 318 CA SER A 25 -1.058 -6.188 -6.392 1.00 0.00 C ATOM 319 C SER A 25 -0.460 -4.788 -6.481 1.00 0.00 C ATOM 320 O SER A 25 -0.996 -3.913 -7.162 1.00 0.00 O ATOM 321 CB SER A 25 -0.419 -7.096 -7.444 1.00 0.00 C ATOM 322 OG SER A 25 0.780 -7.674 -6.959 1.00 0.00 O ATOM 0 H SER A 25 -2.819 -6.331 -7.522 1.00 0.00 H new ATOM 0 HA SER A 25 -0.850 -6.591 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.119 -7.884 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.210 -6.521 -8.346 1.00 0.00 H new ATOM 0 HG SER A 25 0.976 -7.320 -6.067 1.00 0.00 H new ATOM 328 N LEU A 26 0.655 -4.583 -5.788 1.00 0.00 N ATOM 329 CA LEU A 26 1.328 -3.288 -5.788 1.00 0.00 C ATOM 330 C LEU A 26 2.828 -3.455 -6.013 1.00 0.00 C ATOM 331 O LEU A 26 3.356 -4.564 -5.946 1.00 0.00 O ATOM 332 CB LEU A 26 1.077 -2.561 -4.466 1.00 0.00 C ATOM 333 CG LEU A 26 -0.383 -2.250 -4.138 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.596 -2.210 -2.632 1.00 0.00 C ATOM 335 CD2 LEU A 26 -0.804 -0.932 -4.773 1.00 0.00 C ATOM 0 H LEU A 26 1.112 -5.296 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 26 0.920 -2.693 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.489 -3.166 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.633 -1.624 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.005 -3.044 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.641 -1.987 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.336 -3.177 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.036 -1.437 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.846 -0.727 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.177 -0.127 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.691 -0.997 -5.855 1.00 0.00 H new ATOM 347 N ALA A 27 3.508 -2.344 -6.278 1.00 0.00 N ATOM 348 CA ALA A 27 4.947 -2.366 -6.509 1.00 0.00 C ATOM 349 C ALA A 27 5.503 -0.953 -6.642 1.00 0.00 C ATOM 350 O ALA A 27 5.028 -0.163 -7.457 1.00 0.00 O ATOM 351 CB ALA A 27 5.270 -3.182 -7.752 1.00 0.00 C ATOM 0 H ALA A 27 3.085 -1.418 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 27 5.421 -2.835 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.348 -3.190 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.916 -4.204 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.778 -2.738 -8.617 1.00 0.00 H new ATOM 357 N TRP A 28 6.512 -0.641 -5.836 1.00 0.00 N ATOM 358 CA TRP A 28 7.132 0.679 -5.864 1.00 0.00 C ATOM 359 C TRP A 28 8.562 0.597 -6.387 1.00 0.00 C ATOM 360 O TRP A 28 9.119 -0.491 -6.531 1.00 0.00 O ATOM 361 CB TRP A 28 7.122 1.299 -4.466 1.00 0.00 C ATOM 362 CG TRP A 28 7.182 0.284 -3.365 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.174 0.139 -2.438 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.211 -0.727 -3.078 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.878 -0.903 -1.592 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.678 -1.450 -1.963 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.990 -1.092 -3.654 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.968 -2.515 -1.415 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.287 -2.149 -3.109 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.776 -2.850 -1.999 1.00 0.00 C ATOM 0 H TRP A 28 6.918 -1.284 -5.156 1.00 0.00 H new ATOM 0 HA TRP A 28 6.554 1.311 -6.538 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.970 1.978 -4.371 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.219 1.899 -4.349 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.061 0.753 -2.378 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.458 -1.218 -0.814 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.604 -0.557 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.344 -3.057 -0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.343 -2.440 -3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.201 -3.671 -1.596 1.00 0.00 H new ATOM 381 N ALA A 29 9.151 1.754 -6.670 1.00 0.00 N ATOM 382 CA ALA A 29 10.517 1.813 -7.175 1.00 0.00 C ATOM 383 C ALA A 29 11.505 2.112 -6.052 1.00 0.00 C ATOM 384 O ALA A 29 11.446 3.169 -5.425 1.00 0.00 O ATOM 385 CB ALA A 29 10.630 2.860 -8.273 1.00 0.00 C ATOM 0 H ALA A 29 8.703 2.664 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 29 10.766 0.837 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.656 2.893 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.959 2.602 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.356 3.837 -7.874 1.00 0.00 H new ATOM 391 N VAL A 30 12.413 1.173 -5.804 1.00 0.00 N ATOM 392 CA VAL A 30 13.415 1.337 -4.757 1.00 0.00 C ATOM 393 C VAL A 30 13.887 2.784 -4.669 1.00 0.00 C ATOM 394 O VAL A 30 14.736 3.234 -5.438 1.00 0.00 O ATOM 395 CB VAL A 30 14.633 0.425 -4.998 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.701 0.670 -3.943 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.210 -1.036 -5.011 1.00 0.00 C ATOM 0 H VAL A 30 12.475 0.292 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 30 12.940 1.055 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 30 15.058 0.665 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.553 0.017 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 30 16.024 1.710 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.292 0.459 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.083 -1.666 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.760 -1.293 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.484 -1.197 -5.808 1.00 0.00 H new ATOM 407 N PRO A 31 13.324 3.531 -3.707 1.00 0.00 N ATOM 408 CA PRO A 31 13.673 4.939 -3.494 1.00 0.00 C ATOM 409 C PRO A 31 15.083 5.110 -2.939 1.00 0.00 C ATOM 410 O PRO A 31 15.706 4.145 -2.495 1.00 0.00 O ATOM 411 CB PRO A 31 12.635 5.411 -2.473 1.00 0.00 C ATOM 412 CG PRO A 31 12.228 4.175 -1.748 1.00 0.00 C ATOM 413 CD PRO A 31 12.306 3.060 -2.754 1.00 0.00 C ATOM 0 HA PRO A 31 13.664 5.506 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.057 6.149 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.783 5.881 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.888 3.984 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.218 4.271 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.597 2.118 -2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.346 2.891 -3.242 1.00 0.00 H new ATOM 421 N ARG A 32 15.580 6.342 -2.967 1.00 0.00 N ATOM 422 CA ARG A 32 16.917 6.638 -2.466 1.00 0.00 C ATOM 423 C ARG A 32 16.865 7.088 -1.009 1.00 0.00 C ATOM 424 O ARG A 32 16.232 8.091 -0.681 1.00 0.00 O ATOM 425 CB ARG A 32 17.577 7.721 -3.322 1.00 0.00 C ATOM 426 CG ARG A 32 17.937 7.255 -4.723 1.00 0.00 C ATOM 427 CD ARG A 32 18.755 8.300 -5.465 1.00 0.00 C ATOM 428 NE ARG A 32 17.913 9.340 -6.051 1.00 0.00 N ATOM 429 CZ ARG A 32 18.286 10.096 -7.077 1.00 0.00 C ATOM 430 NH1 ARG A 32 19.480 9.929 -7.628 1.00 0.00 N ATOM 431 NH2 ARG A 32 17.463 11.021 -7.555 1.00 0.00 N ATOM 0 H ARG A 32 15.077 7.151 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 32 17.510 5.725 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.904 8.575 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.480 8.068 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.501 6.324 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.026 7.041 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.469 8.756 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 32 19.333 7.816 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 32 16.988 9.494 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 32 20.115 9.218 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.764 10.511 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.543 11.152 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.750 11.601 -8.343 1.00 0.00 H new ATOM 445 N ALA A 33 17.534 6.337 -0.139 1.00 0.00 N ATOM 446 CA ALA A 33 17.565 6.659 1.282 1.00 0.00 C ATOM 447 C ALA A 33 18.869 7.353 1.659 1.00 0.00 C ATOM 448 O ALA A 33 19.897 7.196 1.000 1.00 0.00 O ATOM 449 CB ALA A 33 17.376 5.399 2.113 1.00 0.00 C ATOM 0 H ALA A 33 18.061 5.502 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 33 16.745 7.345 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.401 5.655 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.415 4.945 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.176 4.693 1.891 1.00 0.00 H new ATOM 455 N PRO A 34 18.829 8.140 2.745 1.00 0.00 N ATOM 456 CA PRO A 34 20.000 8.874 3.234 1.00 0.00 C ATOM 457 C PRO A 34 21.060 7.948 3.823 1.00 0.00 C ATOM 458 O PRO A 34 22.235 8.028 3.465 1.00 0.00 O ATOM 459 CB PRO A 34 19.421 9.783 4.321 1.00 0.00 C ATOM 460 CG PRO A 34 18.191 9.082 4.784 1.00 0.00 C ATOM 461 CD PRO A 34 17.638 8.373 3.579 1.00 0.00 C ATOM 0 HA PRO A 34 20.506 9.413 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.128 9.923 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.189 10.773 3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.422 8.375 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.467 9.790 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.149 7.438 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.897 8.981 3.060 1.00 0.00 H new ATOM 469 N SER A 35 20.637 7.071 4.727 1.00 0.00 N ATOM 470 CA SER A 35 21.550 6.133 5.368 1.00 0.00 C ATOM 471 C SER A 35 21.118 4.692 5.112 1.00 0.00 C ATOM 472 O SER A 35 19.947 4.347 5.266 1.00 0.00 O ATOM 473 CB SER A 35 21.614 6.398 6.873 1.00 0.00 C ATOM 474 OG SER A 35 22.472 5.472 7.518 1.00 0.00 O ATOM 0 H SER A 35 19.667 6.990 5.032 1.00 0.00 H new ATOM 0 HA SER A 35 22.541 6.279 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 35 21.969 7.413 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.614 6.330 7.300 1.00 0.00 H new ATOM 0 HG SER A 35 22.497 5.664 8.479 1.00 0.00 H new ATOM 480 N GLY A 36 22.073 3.855 4.718 1.00 0.00 N ATOM 481 CA GLY A 36 21.772 2.462 4.446 1.00 0.00 C ATOM 482 C GLY A 36 20.656 2.297 3.434 1.00 0.00 C ATOM 483 O GLY A 36 20.178 3.275 2.861 1.00 0.00 O ATOM 0 H GLY A 36 23.049 4.117 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.669 1.965 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.492 1.966 5.375 1.00 0.00 H new ATOM 487 N ALA A 37 20.240 1.054 3.211 1.00 0.00 N ATOM 488 CA ALA A 37 19.173 0.764 2.261 1.00 0.00 C ATOM 489 C ALA A 37 17.892 0.358 2.982 1.00 0.00 C ATOM 490 O ALA A 37 17.916 0.004 4.161 1.00 0.00 O ATOM 491 CB ALA A 37 19.608 -0.329 1.297 1.00 0.00 C ATOM 0 H ALA A 37 20.626 0.232 3.676 1.00 0.00 H new ATOM 0 HA ALA A 37 18.967 1.672 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.802 -0.536 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.492 -0.001 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.843 -1.235 1.856 1.00 0.00 H new ATOM 497 N VAL A 38 16.773 0.411 2.266 1.00 0.00 N ATOM 498 CA VAL A 38 15.482 0.048 2.837 1.00 0.00 C ATOM 499 C VAL A 38 15.463 -1.414 3.267 1.00 0.00 C ATOM 500 O VAL A 38 16.004 -2.282 2.580 1.00 0.00 O ATOM 501 CB VAL A 38 14.337 0.293 1.837 1.00 0.00 C ATOM 502 CG1 VAL A 38 12.997 -0.070 2.459 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.341 1.740 1.367 1.00 0.00 C ATOM 0 H VAL A 38 16.735 0.702 1.289 1.00 0.00 H new ATOM 0 HA VAL A 38 15.333 0.682 3.711 1.00 0.00 H new ATOM 0 HB VAL A 38 14.493 -0.348 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.200 0.110 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.000 -1.123 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.829 0.543 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.525 1.895 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.210 2.401 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.290 1.962 0.879 1.00 0.00 H new ATOM 513 N LEU A 39 14.835 -1.682 4.406 1.00 0.00 N ATOM 514 CA LEU A 39 14.744 -3.041 4.929 1.00 0.00 C ATOM 515 C LEU A 39 13.412 -3.681 4.551 1.00 0.00 C ATOM 516 O LEU A 39 13.372 -4.672 3.821 1.00 0.00 O ATOM 517 CB LEU A 39 14.908 -3.036 6.450 1.00 0.00 C ATOM 518 CG LEU A 39 16.172 -2.364 6.986 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.980 -1.947 8.436 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.369 -3.294 6.851 1.00 0.00 C ATOM 0 H LEU A 39 14.381 -0.976 4.986 1.00 0.00 H new ATOM 0 HA LEU A 39 15.548 -3.629 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.043 -2.538 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.893 -4.068 6.801 1.00 0.00 H new ATOM 0 HG LEU A 39 16.364 -1.469 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.890 -1.470 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.149 -1.245 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.763 -2.827 9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.260 -2.799 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.186 -4.207 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.519 -3.543 5.801 1.00 0.00 H new ATOM 532 N ASP A 40 12.323 -3.108 5.052 1.00 0.00 N ATOM 533 CA ASP A 40 10.988 -3.620 4.765 1.00 0.00 C ATOM 534 C ASP A 40 10.017 -2.478 4.480 1.00 0.00 C ATOM 535 O ASP A 40 10.412 -1.313 4.425 1.00 0.00 O ATOM 536 CB ASP A 40 10.478 -4.460 5.937 1.00 0.00 C ATOM 537 CG ASP A 40 11.570 -5.307 6.561 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.511 -4.727 7.142 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.481 -6.549 6.469 1.00 0.00 O ATOM 0 H ASP A 40 12.339 -2.288 5.659 1.00 0.00 H new ATOM 0 HA ASP A 40 11.050 -4.249 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.055 -3.801 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.672 -5.108 5.592 1.00 0.00 H new ATOM 544 N TYR A 41 8.747 -2.820 4.299 1.00 0.00 N ATOM 545 CA TYR A 41 7.720 -1.824 4.017 1.00 0.00 C ATOM 546 C TYR A 41 6.419 -2.164 4.737 1.00 0.00 C ATOM 547 O TYR A 41 6.238 -3.281 5.221 1.00 0.00 O ATOM 548 CB TYR A 41 7.472 -1.730 2.510 1.00 0.00 C ATOM 549 CG TYR A 41 8.740 -1.616 1.694 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.551 -2.723 1.476 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.127 -0.401 1.141 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.710 -2.623 0.732 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.284 -0.293 0.394 1.00 0.00 C ATOM 554 CZ TYR A 41 11.072 -1.406 0.193 1.00 0.00 C ATOM 555 OH TYR A 41 12.226 -1.302 -0.550 1.00 0.00 O ATOM 0 H TYR A 41 8.403 -3.779 4.342 1.00 0.00 H new ATOM 0 HA TYR A 41 8.075 -0.860 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.919 -2.612 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.840 -0.865 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.270 -3.678 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.513 0.473 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.330 -3.493 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.570 0.658 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 41 12.335 -0.378 -0.858 1.00 0.00 H new ATOM 565 N GLU A 42 5.515 -1.191 4.803 1.00 0.00 N ATOM 566 CA GLU A 42 4.230 -1.386 5.464 1.00 0.00 C ATOM 567 C GLU A 42 3.092 -0.821 4.620 1.00 0.00 C ATOM 568 O GLU A 42 2.955 0.394 4.475 1.00 0.00 O ATOM 569 CB GLU A 42 4.235 -0.723 6.843 1.00 0.00 C ATOM 570 CG GLU A 42 3.043 -1.103 7.706 1.00 0.00 C ATOM 571 CD GLU A 42 3.338 -0.993 9.189 1.00 0.00 C ATOM 572 OE1 GLU A 42 4.406 -1.475 9.620 1.00 0.00 O ATOM 573 OE2 GLU A 42 2.499 -0.424 9.919 1.00 0.00 O ATOM 0 H GLU A 42 5.649 -0.261 4.407 1.00 0.00 H new ATOM 0 HA GLU A 42 4.072 -2.458 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.152 -0.996 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.251 0.359 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.200 -0.458 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.742 -2.125 7.474 1.00 0.00 H new ATOM 580 N VAL A 43 2.277 -1.711 4.063 1.00 0.00 N ATOM 581 CA VAL A 43 1.150 -1.302 3.233 1.00 0.00 C ATOM 582 C VAL A 43 -0.113 -1.129 4.068 1.00 0.00 C ATOM 583 O VAL A 43 -0.752 -2.106 4.458 1.00 0.00 O ATOM 584 CB VAL A 43 0.877 -2.324 2.114 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.320 -1.895 1.278 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.110 -2.502 1.242 1.00 0.00 C ATOM 0 H VAL A 43 2.376 -2.720 4.172 1.00 0.00 H new ATOM 0 HA VAL A 43 1.418 -0.346 2.784 1.00 0.00 H new ATOM 0 HB VAL A 43 0.643 -3.285 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.497 -2.630 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.202 -1.825 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.119 -0.923 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.899 -3.228 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.377 -1.547 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.939 -2.859 1.853 1.00 0.00 H new ATOM 596 N LYS A 44 -0.470 0.122 4.340 1.00 0.00 N ATOM 597 CA LYS A 44 -1.658 0.426 5.128 1.00 0.00 C ATOM 598 C LYS A 44 -2.833 0.787 4.224 1.00 0.00 C ATOM 599 O LYS A 44 -2.813 1.814 3.545 1.00 0.00 O ATOM 600 CB LYS A 44 -1.374 1.576 6.096 1.00 0.00 C ATOM 601 CG LYS A 44 -2.358 1.658 7.250 1.00 0.00 C ATOM 602 CD LYS A 44 -2.247 2.983 7.984 1.00 0.00 C ATOM 603 CE LYS A 44 -2.873 4.116 7.186 1.00 0.00 C ATOM 604 NZ LYS A 44 -4.351 4.171 7.365 1.00 0.00 N ATOM 0 H LYS A 44 0.048 0.943 4.025 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.921 -0.464 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.367 1.462 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.394 2.516 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.373 1.534 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.174 0.839 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.738 2.905 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.198 3.208 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.434 5.064 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.640 3.988 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.740 4.956 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.773 3.276 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.574 4.319 8.370 1.00 0.00 H new ATOM 618 N TYR A 45 -3.854 -0.063 4.220 1.00 0.00 N ATOM 619 CA TYR A 45 -5.037 0.167 3.399 1.00 0.00 C ATOM 620 C TYR A 45 -6.292 0.251 4.263 1.00 0.00 C ATOM 621 O TYR A 45 -6.604 -0.672 5.016 1.00 0.00 O ATOM 622 CB TYR A 45 -5.189 -0.949 2.365 1.00 0.00 C ATOM 623 CG TYR A 45 -5.261 -2.332 2.972 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.135 -2.928 3.526 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.455 -3.042 2.992 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.197 -4.192 4.082 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.526 -4.305 3.546 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.394 -4.876 4.089 1.00 0.00 C ATOM 629 OH TYR A 45 -5.459 -6.134 4.643 1.00 0.00 O ATOM 0 H TYR A 45 -3.886 -0.917 4.776 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.911 1.118 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.092 -0.771 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.348 -0.909 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.196 -2.395 3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.343 -2.598 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.312 -4.641 4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.463 -4.843 3.554 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.374 -6.477 4.568 1.00 0.00 H new ATOM 639 N HIS A 46 -7.009 1.364 4.146 1.00 0.00 N ATOM 640 CA HIS A 46 -8.231 1.569 4.915 1.00 0.00 C ATOM 641 C HIS A 46 -9.400 1.913 3.995 1.00 0.00 C ATOM 642 O HIS A 46 -9.283 2.773 3.123 1.00 0.00 O ATOM 643 CB HIS A 46 -8.032 2.683 5.943 1.00 0.00 C ATOM 644 CG HIS A 46 -8.272 4.056 5.393 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.387 4.695 4.551 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.307 4.911 5.569 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.866 5.885 4.233 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.030 6.040 4.838 1.00 0.00 N ATOM 0 H HIS A 46 -6.765 2.137 3.527 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.462 0.641 5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.705 2.515 6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.015 2.629 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.186 4.737 6.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.387 6.607 3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.627 6.865 4.773 1.00 0.00 H new ATOM 657 N GLU A 47 -10.525 1.234 4.197 1.00 0.00 N ATOM 658 CA GLU A 47 -11.713 1.467 3.384 1.00 0.00 C ATOM 659 C GLU A 47 -12.207 2.902 3.543 1.00 0.00 C ATOM 660 O GLU A 47 -12.462 3.364 4.655 1.00 0.00 O ATOM 661 CB GLU A 47 -12.823 0.487 3.771 1.00 0.00 C ATOM 662 CG GLU A 47 -14.091 0.649 2.950 1.00 0.00 C ATOM 663 CD GLU A 47 -15.283 -0.051 3.573 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.665 0.321 4.703 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.833 -0.971 2.933 1.00 0.00 O ATOM 0 H GLU A 47 -10.639 0.519 4.916 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.445 1.307 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.453 -0.532 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.063 0.621 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.315 1.710 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.924 0.252 1.949 1.00 0.00 H new ATOM 672 N LYS A 48 -12.341 3.602 2.422 1.00 0.00 N ATOM 673 CA LYS A 48 -12.806 4.984 2.433 1.00 0.00 C ATOM 674 C LYS A 48 -14.143 5.102 3.157 1.00 0.00 C ATOM 675 O LYS A 48 -14.242 5.750 4.198 1.00 0.00 O ATOM 676 CB LYS A 48 -12.939 5.511 1.003 1.00 0.00 C ATOM 677 CG LYS A 48 -13.189 7.008 0.927 1.00 0.00 C ATOM 678 CD LYS A 48 -12.694 7.589 -0.387 1.00 0.00 C ATOM 679 CE LYS A 48 -12.697 9.110 -0.360 1.00 0.00 C ATOM 680 NZ LYS A 48 -14.057 9.667 -0.600 1.00 0.00 N ATOM 0 H LYS A 48 -12.134 3.235 1.493 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.070 5.585 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.029 5.275 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.757 4.989 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.255 7.206 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.687 7.504 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.685 7.230 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.326 7.237 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.328 9.457 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.011 9.488 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.016 10.706 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.399 9.357 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.706 9.327 0.138 1.00 0.00 H new ATOM 769 N VAL A 56 -8.744 -0.050 9.346 1.00 0.00 N ATOM 770 CA VAL A 56 -7.388 0.086 8.827 1.00 0.00 C ATOM 771 C VAL A 56 -6.604 -1.210 8.994 1.00 0.00 C ATOM 772 O VAL A 56 -6.536 -1.771 10.087 1.00 0.00 O ATOM 773 CB VAL A 56 -6.630 1.226 9.532 1.00 0.00 C ATOM 774 CG1 VAL A 56 -5.166 1.231 9.117 1.00 0.00 C ATOM 775 CG2 VAL A 56 -7.283 2.567 9.229 1.00 0.00 C ATOM 0 HA VAL A 56 -7.476 0.320 7.766 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.677 1.059 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.647 2.043 9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.707 0.280 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.094 1.373 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.735 3.361 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.268 2.744 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.315 2.557 9.581 1.00 0.00 H new ATOM 785 N ARG A 57 -6.011 -1.681 7.901 1.00 0.00 N ATOM 786 CA ARG A 57 -5.231 -2.913 7.925 1.00 0.00 C ATOM 787 C ARG A 57 -3.746 -2.619 7.731 1.00 0.00 C ATOM 788 O ARG A 57 -3.371 -1.544 7.263 1.00 0.00 O ATOM 789 CB ARG A 57 -5.719 -3.872 6.838 1.00 0.00 C ATOM 790 CG ARG A 57 -6.958 -4.660 7.233 1.00 0.00 C ATOM 791 CD ARG A 57 -6.646 -5.686 8.310 1.00 0.00 C ATOM 792 NE ARG A 57 -7.842 -6.401 8.748 1.00 0.00 N ATOM 793 CZ ARG A 57 -7.810 -7.572 9.375 1.00 0.00 C ATOM 794 NH1 ARG A 57 -6.649 -8.156 9.637 1.00 0.00 N ATOM 795 NH2 ARG A 57 -8.941 -8.160 9.742 1.00 0.00 N ATOM 0 H ARG A 57 -6.056 -1.228 6.988 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.367 -3.381 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.933 -3.303 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.918 -4.569 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.726 -3.976 7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.365 -5.164 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.916 -6.400 7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.189 -5.187 9.164 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.752 -5.978 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.777 -7.706 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.627 -9.055 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.836 -7.713 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.916 -9.059 10.223 1.00 0.00 H new ATOM 809 N PHE A 58 -2.906 -3.583 8.093 1.00 0.00 N ATOM 810 CA PHE A 58 -1.462 -3.428 7.960 1.00 0.00 C ATOM 811 C PHE A 58 -0.834 -4.679 7.352 1.00 0.00 C ATOM 812 O PHE A 58 -1.215 -5.802 7.684 1.00 0.00 O ATOM 813 CB PHE A 58 -0.831 -3.138 9.323 1.00 0.00 C ATOM 814 CG PHE A 58 -1.026 -1.722 9.785 1.00 0.00 C ATOM 815 CD1 PHE A 58 -0.150 -0.724 9.393 1.00 0.00 C ATOM 816 CD2 PHE A 58 -2.087 -1.390 10.613 1.00 0.00 C ATOM 817 CE1 PHE A 58 -0.327 0.580 9.816 1.00 0.00 C ATOM 818 CE2 PHE A 58 -2.270 -0.088 11.039 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.388 0.898 10.641 1.00 0.00 C ATOM 0 H PHE A 58 -3.200 -4.479 8.481 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.272 -2.587 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.257 -3.815 10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.237 -3.352 9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.682 -0.967 8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.778 -2.157 10.929 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.363 1.349 9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.102 0.158 11.682 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.528 1.916 10.974 1.00 0.00 H new ATOM 829 N LEU A 59 0.129 -4.476 6.460 1.00 0.00 N ATOM 830 CA LEU A 59 0.811 -5.587 5.805 1.00 0.00 C ATOM 831 C LEU A 59 2.323 -5.393 5.837 1.00 0.00 C ATOM 832 O LEU A 59 2.845 -4.404 5.322 1.00 0.00 O ATOM 833 CB LEU A 59 0.333 -5.721 4.358 1.00 0.00 C ATOM 834 CG LEU A 59 1.160 -6.644 3.461 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.816 -8.100 3.732 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.934 -6.305 1.995 1.00 0.00 C ATOM 0 H LEU A 59 0.455 -3.553 6.174 1.00 0.00 H new ATOM 0 HA LEU A 59 0.570 -6.501 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.695 -6.083 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.317 -4.728 3.908 1.00 0.00 H new ATOM 0 HG LEU A 59 2.215 -6.492 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.414 -8.742 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.029 -8.336 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.242 -8.267 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.530 -6.971 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.121 -6.428 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.231 -5.273 1.810 1.00 0.00 H new ATOM 848 N LYS A 60 3.024 -6.345 6.444 1.00 0.00 N ATOM 849 CA LYS A 60 4.477 -6.283 6.542 1.00 0.00 C ATOM 850 C LYS A 60 5.132 -7.089 5.424 1.00 0.00 C ATOM 851 O LYS A 60 4.921 -8.296 5.309 1.00 0.00 O ATOM 852 CB LYS A 60 4.941 -6.807 7.903 1.00 0.00 C ATOM 853 CG LYS A 60 4.694 -5.837 9.045 1.00 0.00 C ATOM 854 CD LYS A 60 4.475 -6.566 10.359 1.00 0.00 C ATOM 855 CE LYS A 60 3.786 -5.677 11.382 1.00 0.00 C ATOM 856 NZ LYS A 60 4.003 -6.160 12.774 1.00 0.00 N ATOM 0 H LYS A 60 2.608 -7.170 6.876 1.00 0.00 H new ATOM 0 HA LYS A 60 4.779 -5.241 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.427 -7.744 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.006 -7.032 7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.544 -5.162 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.822 -5.222 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.872 -7.457 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.434 -6.902 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.162 -4.658 11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.717 -5.643 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.517 -5.527 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.622 -7.123 12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.022 -6.168 12.984 1.00 0.00 H new ATOM 870 N THR A 61 5.930 -6.413 4.603 1.00 0.00 N ATOM 871 CA THR A 61 6.617 -7.066 3.496 1.00 0.00 C ATOM 872 C THR A 61 8.064 -6.599 3.394 1.00 0.00 C ATOM 873 O THR A 61 8.349 -5.404 3.476 1.00 0.00 O ATOM 874 CB THR A 61 5.906 -6.794 2.156 1.00 0.00 C ATOM 875 OG1 THR A 61 6.763 -7.152 1.066 1.00 0.00 O ATOM 876 CG2 THR A 61 5.514 -5.329 2.039 1.00 0.00 C ATOM 0 H THR A 61 6.116 -5.413 4.684 1.00 0.00 H new ATOM 0 HA THR A 61 6.598 -8.137 3.699 1.00 0.00 H new ATOM 0 HB THR A 61 5.001 -7.400 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.304 -6.978 0.218 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.014 -5.161 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.839 -5.067 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.408 -4.708 2.094 1.00 0.00 H new ATOM 884 N SER A 62 8.976 -7.550 3.215 1.00 0.00 N ATOM 885 CA SER A 62 10.396 -7.235 3.105 1.00 0.00 C ATOM 886 C SER A 62 10.802 -7.060 1.645 1.00 0.00 C ATOM 887 O SER A 62 11.963 -7.251 1.286 1.00 0.00 O ATOM 888 CB SER A 62 11.236 -8.340 3.751 1.00 0.00 C ATOM 889 OG SER A 62 11.143 -9.547 3.015 1.00 0.00 O ATOM 0 H SER A 62 8.757 -8.544 3.143 1.00 0.00 H new ATOM 0 HA SER A 62 10.577 -6.297 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.278 -8.024 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.898 -8.507 4.774 1.00 0.00 H new ATOM 0 HG SER A 62 11.689 -10.236 3.447 1.00 0.00 H new ATOM 895 N GLU A 63 9.836 -6.693 0.809 1.00 0.00 N ATOM 896 CA GLU A 63 10.093 -6.492 -0.613 1.00 0.00 C ATOM 897 C GLU A 63 9.362 -5.256 -1.128 1.00 0.00 C ATOM 898 O GLU A 63 8.610 -4.615 -0.394 1.00 0.00 O ATOM 899 CB GLU A 63 9.660 -7.724 -1.411 1.00 0.00 C ATOM 900 CG GLU A 63 10.153 -9.035 -0.822 1.00 0.00 C ATOM 901 CD GLU A 63 11.599 -9.325 -1.174 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.311 -8.383 -1.579 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.018 -10.494 -1.044 1.00 0.00 O ATOM 0 H GLU A 63 8.870 -6.529 1.091 1.00 0.00 H new ATOM 0 HA GLU A 63 11.164 -6.341 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.572 -7.747 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.029 -7.633 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.046 -9.005 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.525 -9.850 -1.182 1.00 0.00 H new ATOM 910 N ASN A 64 9.590 -4.926 -2.395 1.00 0.00 N ATOM 911 CA ASN A 64 8.954 -3.766 -3.009 1.00 0.00 C ATOM 912 C ASN A 64 7.735 -4.182 -3.827 1.00 0.00 C ATOM 913 O ASN A 64 7.387 -3.535 -4.814 1.00 0.00 O ATOM 914 CB ASN A 64 9.952 -3.025 -3.902 1.00 0.00 C ATOM 915 CG ASN A 64 10.283 -3.797 -5.164 1.00 0.00 C ATOM 916 OD1 ASN A 64 10.130 -5.017 -5.217 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.740 -3.087 -6.189 1.00 0.00 N ATOM 0 H ASN A 64 10.210 -5.445 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 64 8.624 -3.100 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.541 -2.052 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.869 -2.840 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.980 -3.552 -7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.851 -2.077 -6.101 1.00 0.00 H new ATOM 924 N ARG A 65 7.092 -5.267 -3.408 1.00 0.00 N ATOM 925 CA ARG A 65 5.912 -5.771 -4.102 1.00 0.00 C ATOM 926 C ARG A 65 5.033 -6.585 -3.158 1.00 0.00 C ATOM 927 O ARG A 65 5.510 -7.491 -2.475 1.00 0.00 O ATOM 928 CB ARG A 65 6.326 -6.630 -5.298 1.00 0.00 C ATOM 929 CG ARG A 65 7.300 -7.741 -4.942 1.00 0.00 C ATOM 930 CD ARG A 65 8.146 -8.145 -6.140 1.00 0.00 C ATOM 931 NE ARG A 65 7.382 -8.921 -7.113 1.00 0.00 N ATOM 932 CZ ARG A 65 7.772 -9.116 -8.367 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.912 -8.594 -8.799 1.00 0.00 N ATOM 934 NH2 ARG A 65 7.022 -9.834 -9.193 1.00 0.00 N ATOM 0 H ARG A 65 7.368 -5.814 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 65 5.338 -4.916 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.434 -7.070 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.779 -5.990 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.949 -7.411 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.748 -8.607 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.543 -7.251 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.000 -8.730 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 65 6.500 -9.336 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.492 -8.041 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.209 -8.745 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.144 -10.237 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.323 -9.983 -10.156 1.00 0.00 H new ATOM 948 N ALA A 66 3.746 -6.254 -3.124 1.00 0.00 N ATOM 949 CA ALA A 66 2.799 -6.955 -2.265 1.00 0.00 C ATOM 950 C ALA A 66 1.500 -7.250 -3.006 1.00 0.00 C ATOM 951 O ALA A 66 1.227 -6.668 -4.055 1.00 0.00 O ATOM 952 CB ALA A 66 2.521 -6.139 -1.011 1.00 0.00 C ATOM 0 H ALA A 66 3.335 -5.505 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 66 3.244 -7.907 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.812 -6.674 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.451 -5.984 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.100 -5.173 -1.291 1.00 0.00 H new ATOM 958 N GLU A 67 0.702 -8.159 -2.453 1.00 0.00 N ATOM 959 CA GLU A 67 -0.569 -8.531 -3.064 1.00 0.00 C ATOM 960 C GLU A 67 -1.684 -8.567 -2.023 1.00 0.00 C ATOM 961 O GLU A 67 -1.696 -9.425 -1.139 1.00 0.00 O ATOM 962 CB GLU A 67 -0.451 -9.895 -3.748 1.00 0.00 C ATOM 963 CG GLU A 67 -1.737 -10.356 -4.412 1.00 0.00 C ATOM 964 CD GLU A 67 -1.499 -11.410 -5.476 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.556 -11.242 -6.278 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.257 -12.402 -5.508 1.00 0.00 O ATOM 0 H GLU A 67 0.913 -8.650 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.818 -7.777 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.339 -9.849 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.147 -10.637 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.410 -10.756 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.237 -9.498 -4.861 1.00 0.00 H new ATOM 973 N LEU A 68 -2.618 -7.629 -2.133 1.00 0.00 N ATOM 974 CA LEU A 68 -3.738 -7.552 -1.201 1.00 0.00 C ATOM 975 C LEU A 68 -4.903 -8.412 -1.678 1.00 0.00 C ATOM 976 O LEU A 68 -5.525 -8.121 -2.700 1.00 0.00 O ATOM 977 CB LEU A 68 -4.193 -6.100 -1.039 1.00 0.00 C ATOM 978 CG LEU A 68 -3.086 -5.073 -0.801 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.647 -3.660 -0.861 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.404 -5.322 0.536 1.00 0.00 C ATOM 0 H LEU A 68 -2.622 -6.911 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.403 -7.931 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.743 -5.811 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.893 -6.050 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.342 -5.181 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.845 -2.942 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.087 -3.485 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.412 -3.539 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.619 -4.581 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.137 -5.243 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.966 -6.320 0.541 1.00 0.00 H new ATOM 992 N ARG A 69 -5.195 -9.471 -0.930 1.00 0.00 N ATOM 993 CA ARG A 69 -6.287 -10.373 -1.276 1.00 0.00 C ATOM 994 C ARG A 69 -7.503 -10.120 -0.389 1.00 0.00 C ATOM 995 O ARG A 69 -7.371 -9.679 0.752 1.00 0.00 O ATOM 996 CB ARG A 69 -5.837 -11.829 -1.140 1.00 0.00 C ATOM 997 CG ARG A 69 -5.241 -12.404 -2.414 1.00 0.00 C ATOM 998 CD ARG A 69 -4.452 -13.673 -2.136 1.00 0.00 C ATOM 999 NE ARG A 69 -5.300 -14.862 -2.163 1.00 0.00 N ATOM 1000 CZ ARG A 69 -6.029 -15.268 -1.129 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -6.013 -14.584 0.006 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -6.775 -16.360 -1.231 1.00 0.00 N ATOM 0 H ARG A 69 -4.691 -9.725 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.568 -10.182 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.100 -11.899 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.690 -12.438 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.038 -12.619 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.590 -11.664 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.659 -13.776 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.970 -13.594 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.334 -15.410 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.440 -13.744 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.573 -14.898 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.789 -16.888 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.334 -16.671 -0.437 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.688 -10.403 -0.923 1.00 0.00 N ATOM 1017 CA GLY A 70 -9.910 -10.199 -0.167 1.00 0.00 C ATOM 1018 C GLY A 70 -10.308 -8.738 -0.092 1.00 0.00 C ATOM 1019 O GLY A 70 -10.093 -8.080 0.927 1.00 0.00 O ATOM 0 H GLY A 70 -8.823 -10.770 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.717 -10.769 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.779 -10.589 0.842 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.889 -8.229 -1.172 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.317 -6.835 -1.226 1.00 0.00 C ATOM 1025 C LEU A 71 -12.612 -6.694 -2.021 1.00 0.00 C ATOM 1026 O LEU A 71 -13.189 -7.684 -2.469 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.223 -5.969 -1.852 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.875 -5.965 -1.131 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.758 -5.584 -2.089 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.908 -5.015 0.058 1.00 0.00 C ATOM 0 H LEU A 71 -11.075 -8.760 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.500 -6.496 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.063 -6.305 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.586 -4.943 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.680 -6.972 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.806 -5.587 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.719 -6.303 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.947 -4.588 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.940 -5.025 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.126 -4.005 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.682 -5.333 0.757 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.061 -5.455 -2.193 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.285 -5.182 -2.937 1.00 0.00 C ATOM 1044 C LYS A 72 -13.986 -4.380 -4.200 1.00 0.00 C ATOM 1045 O LYS A 72 -13.453 -3.272 -4.132 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.280 -4.419 -2.060 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.971 -5.291 -1.026 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.899 -4.476 -0.140 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.082 -5.126 1.223 1.00 0.00 C ATOM 1050 NZ LYS A 72 -17.832 -4.246 2.161 1.00 0.00 N ATOM 0 H LYS A 72 -12.596 -4.624 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.724 -6.136 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.757 -3.610 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.035 -3.958 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.540 -6.072 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.222 -5.789 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.494 -3.472 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.868 -4.370 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.614 -6.070 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.106 -5.361 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.936 -4.725 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.312 -3.355 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.773 -4.042 1.768 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.334 -4.946 -5.351 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.104 -4.283 -6.629 1.00 0.00 C ATOM 1066 C ARG A 73 -15.151 -3.202 -6.878 1.00 0.00 C ATOM 1067 O ARG A 73 -15.721 -3.113 -7.964 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.128 -5.303 -7.769 1.00 0.00 C ATOM 1069 CG ARG A 73 -13.678 -4.735 -9.105 1.00 0.00 C ATOM 1070 CD ARG A 73 -14.315 -5.478 -10.269 1.00 0.00 C ATOM 1071 NE ARG A 73 -15.672 -5.013 -10.538 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.576 -5.726 -11.200 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.268 -6.931 -11.658 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -17.791 -5.234 -11.405 1.00 0.00 N ATOM 0 H ARG A 73 -14.776 -5.862 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.122 -3.812 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.486 -6.144 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.140 -5.695 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.940 -3.678 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.593 -4.799 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.703 -5.346 -11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.334 -6.546 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.941 -4.089 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.335 -7.313 -11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.964 -7.477 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.032 -4.307 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.484 -5.783 -11.914 1.00 0.00 H new ATOM 1088 N GLY A 74 -15.399 -2.381 -5.861 1.00 0.00 N ATOM 1089 CA GLY A 74 -16.378 -1.317 -5.990 1.00 0.00 C ATOM 1090 C GLY A 74 -16.384 -0.388 -4.792 1.00 0.00 C ATOM 1091 O GLY A 74 -17.438 0.092 -4.376 1.00 0.00 O ATOM 0 H GLY A 74 -14.940 -2.434 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.168 -0.741 -6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.370 -1.752 -6.113 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.204 -0.134 -4.236 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.078 0.744 -3.079 1.00 0.00 C ATOM 1097 C ALA A 75 -13.734 1.465 -3.082 1.00 0.00 C ATOM 1098 O ALA A 75 -12.685 0.843 -3.250 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.251 -0.049 -1.793 1.00 0.00 C ATOM 0 H ALA A 75 -14.322 -0.524 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.865 1.496 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.154 0.620 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.237 -0.513 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.485 -0.823 -1.737 1.00 0.00 H new ATOM 1105 N SER A 76 -13.773 2.780 -2.895 1.00 0.00 N ATOM 1106 CA SER A 76 -12.558 3.587 -2.880 1.00 0.00 C ATOM 1107 C SER A 76 -11.596 3.100 -1.800 1.00 0.00 C ATOM 1108 O SER A 76 -11.897 3.168 -0.608 1.00 0.00 O ATOM 1109 CB SER A 76 -12.901 5.059 -2.647 1.00 0.00 C ATOM 1110 OG SER A 76 -13.887 5.504 -3.562 1.00 0.00 O ATOM 0 H SER A 76 -14.633 3.310 -2.752 1.00 0.00 H new ATOM 0 HA SER A 76 -12.071 3.484 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.260 5.195 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.002 5.666 -2.753 1.00 0.00 H new ATOM 0 HG SER A 76 -14.090 6.447 -3.391 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.438 2.609 -2.227 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.432 2.108 -1.298 1.00 0.00 C ATOM 1118 C TYR A 77 -8.165 2.957 -1.357 1.00 0.00 C ATOM 1119 O TYR A 77 -7.562 3.120 -2.419 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.097 0.650 -1.614 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.005 -0.343 -0.924 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.842 -0.645 0.422 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -11.026 -0.980 -1.619 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.669 -1.552 1.056 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.859 -1.887 -0.993 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.676 -2.170 0.344 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.503 -3.074 0.972 1.00 0.00 O ATOM 0 H TYR A 77 -10.173 2.547 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.842 2.169 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.158 0.497 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.066 0.451 -1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.055 -0.162 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.171 -0.762 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.528 -1.776 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.649 -2.372 -1.548 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.159 -3.417 0.330 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.767 3.494 -0.210 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.571 4.326 -0.129 1.00 0.00 C ATOM 1139 C LEU A 78 -5.370 3.509 0.335 1.00 0.00 C ATOM 1140 O LEU A 78 -5.205 3.248 1.527 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.805 5.498 0.827 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.588 6.682 0.259 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -6.706 7.512 -0.661 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -8.826 6.197 -0.481 1.00 0.00 C ATOM 0 H LEU A 78 -8.254 3.369 0.677 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.360 4.714 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.334 5.125 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.836 5.860 1.170 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.909 7.313 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.280 8.350 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.850 7.890 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.355 6.892 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.371 7.053 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.527 5.544 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.468 5.646 0.206 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.531 3.109 -0.615 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.342 2.324 -0.305 1.00 0.00 C ATOM 1158 C VAL A 79 -2.129 3.223 -0.097 1.00 0.00 C ATOM 1159 O VAL A 79 -1.821 4.069 -0.936 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.031 1.310 -1.422 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.769 0.526 -1.095 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.210 0.373 -1.634 1.00 0.00 C ATOM 0 H VAL A 79 -4.653 3.316 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.552 1.783 0.618 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.860 1.858 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.565 -0.185 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.929 1.213 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.908 -0.012 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.973 -0.337 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.414 -0.169 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.089 0.952 -1.917 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.443 3.033 1.026 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.263 3.828 1.344 1.00 0.00 C ATOM 1174 C GLN A 80 0.931 2.930 1.652 1.00 0.00 C ATOM 1175 O GLN A 80 0.911 2.162 2.614 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.546 4.746 2.534 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.423 5.938 2.187 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.902 5.610 2.243 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -3.427 4.908 1.378 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.584 6.118 3.263 1.00 0.00 N ATOM 0 H GLN A 80 -1.684 2.336 1.730 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.021 4.438 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.028 4.168 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.400 5.107 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.209 6.754 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.171 6.291 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.109 6.695 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.583 5.931 3.352 1.00 0.00 H new ATOM 1189 N VAL A 81 1.970 3.032 0.829 1.00 0.00 N ATOM 1190 CA VAL A 81 3.173 2.230 1.014 1.00 0.00 C ATOM 1191 C VAL A 81 4.321 3.077 1.550 1.00 0.00 C ATOM 1192 O VAL A 81 4.700 4.081 0.947 1.00 0.00 O ATOM 1193 CB VAL A 81 3.612 1.565 -0.304 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.876 0.745 -0.094 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.493 0.700 -0.863 1.00 0.00 C ATOM 0 H VAL A 81 2.002 3.662 0.028 1.00 0.00 H new ATOM 0 HA VAL A 81 2.928 1.455 1.740 1.00 0.00 H new ATOM 0 HB VAL A 81 3.832 2.348 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.171 0.283 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.677 1.395 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.687 -0.031 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.821 0.238 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.239 -0.077 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.616 1.318 -1.054 1.00 0.00 H new ATOM 1205 N ARG A 82 4.872 2.666 2.688 1.00 0.00 N ATOM 1206 CA ARG A 82 5.977 3.388 3.307 1.00 0.00 C ATOM 1207 C ARG A 82 7.182 2.472 3.504 1.00 0.00 C ATOM 1208 O ARG A 82 7.041 1.252 3.578 1.00 0.00 O ATOM 1209 CB ARG A 82 5.542 3.973 4.651 1.00 0.00 C ATOM 1210 CG ARG A 82 5.484 2.948 5.772 1.00 0.00 C ATOM 1211 CD ARG A 82 5.192 3.604 7.112 1.00 0.00 C ATOM 1212 NE ARG A 82 5.250 2.648 8.214 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.895 2.940 9.461 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.459 4.155 9.762 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.977 2.015 10.409 1.00 0.00 N ATOM 0 H ARG A 82 4.571 1.837 3.200 1.00 0.00 H new ATOM 0 HA ARG A 82 6.266 4.201 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.233 4.768 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.559 4.431 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.713 2.209 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.432 2.413 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.911 4.404 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.204 4.064 7.083 1.00 0.00 H new ATOM 0 HE ARG A 82 5.581 1.704 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.395 4.868 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.187 4.377 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.313 1.079 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.704 2.240 11.366 1.00 0.00 H new ATOM 1229 N ALA A 83 8.365 3.070 3.589 1.00 0.00 N ATOM 1230 CA ALA A 83 9.594 2.309 3.779 1.00 0.00 C ATOM 1231 C ALA A 83 10.195 2.572 5.156 1.00 0.00 C ATOM 1232 O ALA A 83 9.905 3.589 5.786 1.00 0.00 O ATOM 1233 CB ALA A 83 10.599 2.648 2.689 1.00 0.00 C ATOM 0 H ALA A 83 8.499 4.079 3.529 1.00 0.00 H new ATOM 0 HA ALA A 83 9.349 1.249 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.512 2.072 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.176 2.403 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.831 3.712 2.726 1.00 0.00 H new ATOM 1239 N ARG A 84 11.032 1.648 5.617 1.00 0.00 N ATOM 1240 CA ARG A 84 11.672 1.780 6.921 1.00 0.00 C ATOM 1241 C ARG A 84 13.143 1.381 6.847 1.00 0.00 C ATOM 1242 O ARG A 84 13.508 0.449 6.131 1.00 0.00 O ATOM 1243 CB ARG A 84 10.949 0.917 7.957 1.00 0.00 C ATOM 1244 CG ARG A 84 11.277 -0.564 7.851 1.00 0.00 C ATOM 1245 CD ARG A 84 10.200 -1.420 8.497 1.00 0.00 C ATOM 1246 NE ARG A 84 10.736 -2.677 9.012 1.00 0.00 N ATOM 1247 CZ ARG A 84 11.602 -2.750 10.017 1.00 0.00 C ATOM 1248 NH1 ARG A 84 12.028 -1.644 10.611 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.044 -3.931 10.429 1.00 0.00 N ATOM 0 H ARG A 84 11.283 0.801 5.108 1.00 0.00 H new ATOM 0 HA ARG A 84 11.612 2.825 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.210 1.268 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.873 1.051 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.382 -0.840 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.236 -0.761 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.735 -0.864 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.418 -1.631 7.767 1.00 0.00 H new ATOM 0 HE ARG A 84 10.429 -3.547 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.691 -0.734 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.693 -1.703 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.719 -4.784 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.709 -3.986 11.201 1.00 0.00 H new ATOM 1263 N SER A 85 13.982 2.094 7.591 1.00 0.00 N ATOM 1264 CA SER A 85 15.414 1.817 7.607 1.00 0.00 C ATOM 1265 C SER A 85 15.926 1.685 9.038 1.00 0.00 C ATOM 1266 O SER A 85 15.186 1.908 9.996 1.00 0.00 O ATOM 1267 CB SER A 85 16.177 2.926 6.880 1.00 0.00 C ATOM 1268 OG SER A 85 16.045 4.164 7.557 1.00 0.00 O ATOM 0 H SER A 85 13.695 2.868 8.191 1.00 0.00 H new ATOM 0 HA SER A 85 15.582 0.872 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.231 2.659 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.801 3.023 5.861 1.00 0.00 H new ATOM 0 HG SER A 85 16.543 4.856 7.074 1.00 0.00 H new ATOM 1274 N GLU A 86 17.197 1.321 9.174 1.00 0.00 N ATOM 1275 CA GLU A 86 17.808 1.158 10.488 1.00 0.00 C ATOM 1276 C GLU A 86 17.302 2.221 11.459 1.00 0.00 C ATOM 1277 O GLU A 86 16.943 1.917 12.596 1.00 0.00 O ATOM 1278 CB GLU A 86 19.332 1.236 10.379 1.00 0.00 C ATOM 1279 CG GLU A 86 19.985 -0.086 10.012 1.00 0.00 C ATOM 1280 CD GLU A 86 20.026 -1.059 11.175 1.00 0.00 C ATOM 1281 OE1 GLU A 86 18.946 -1.516 11.604 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.138 -1.363 11.655 1.00 0.00 O ATOM 0 H GLU A 86 17.823 1.133 8.391 1.00 0.00 H new ATOM 0 HA GLU A 86 17.528 0.177 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.596 1.982 9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.739 1.581 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.440 -0.539 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.001 0.099 9.662 1.00 0.00 H new ATOM 1289 N ALA A 87 17.276 3.468 11.001 1.00 0.00 N ATOM 1290 CA ALA A 87 16.812 4.576 11.827 1.00 0.00 C ATOM 1291 C ALA A 87 15.421 4.299 12.387 1.00 0.00 C ATOM 1292 O ALA A 87 15.221 4.289 13.601 1.00 0.00 O ATOM 1293 CB ALA A 87 16.813 5.869 11.025 1.00 0.00 C ATOM 0 H ALA A 87 17.571 3.736 10.062 1.00 0.00 H new ATOM 0 HA ALA A 87 17.498 4.682 12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.464 6.688 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.825 6.082 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.151 5.765 10.166 1.00 0.00 H new ATOM 1299 N GLY A 88 14.463 4.075 11.493 1.00 0.00 N ATOM 1300 CA GLY A 88 13.102 3.801 11.918 1.00 0.00 C ATOM 1301 C GLY A 88 12.131 3.749 10.755 1.00 0.00 C ATOM 1302 O GLY A 88 12.466 3.251 9.680 1.00 0.00 O ATOM 0 H GLY A 88 14.604 4.078 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.076 2.851 12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.782 4.571 12.620 1.00 0.00 H new ATOM 1306 N TYR A 89 10.925 4.261 10.970 1.00 0.00 N ATOM 1307 CA TYR A 89 9.901 4.266 9.932 1.00 0.00 C ATOM 1308 C TYR A 89 9.824 5.628 9.249 1.00 0.00 C ATOM 1309 O TYR A 89 9.730 6.662 9.910 1.00 0.00 O ATOM 1310 CB TYR A 89 8.539 3.904 10.528 1.00 0.00 C ATOM 1311 CG TYR A 89 8.288 2.415 10.603 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.943 1.690 9.469 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.396 1.733 11.809 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.711 0.330 9.534 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.168 0.372 11.883 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.825 -0.324 10.743 1.00 0.00 C ATOM 1317 OH TYR A 89 7.597 -1.680 10.811 1.00 0.00 O ATOM 0 H TYR A 89 10.632 4.678 11.854 1.00 0.00 H new ATOM 0 HA TYR A 89 10.173 3.520 9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.466 4.327 11.530 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.755 4.367 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.855 2.199 8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.663 2.276 12.704 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.442 -0.218 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.258 -0.143 12.828 1.00 0.00 H new ATOM 0 HH TYR A 89 7.719 -1.986 11.734 1.00 0.00 H new ATOM 1327 N GLY A 90 9.864 5.620 7.920 1.00 0.00 N ATOM 1328 CA GLY A 90 9.797 6.860 7.169 1.00 0.00 C ATOM 1329 C GLY A 90 8.372 7.316 6.927 1.00 0.00 C ATOM 1330 O GLY A 90 7.411 6.639 7.292 1.00 0.00 O ATOM 0 H GLY A 90 9.942 4.777 7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.337 7.638 7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.301 6.729 6.211 1.00 0.00 H new ATOM 1334 N PRO A 91 8.221 8.491 6.299 1.00 0.00 N ATOM 1335 CA PRO A 91 6.906 9.064 5.997 1.00 0.00 C ATOM 1336 C PRO A 91 6.167 8.281 4.917 1.00 0.00 C ATOM 1337 O PRO A 91 6.783 7.728 4.006 1.00 0.00 O ATOM 1338 CB PRO A 91 7.238 10.474 5.502 1.00 0.00 C ATOM 1339 CG PRO A 91 8.629 10.373 4.977 1.00 0.00 C ATOM 1340 CD PRO A 91 9.322 9.352 5.836 1.00 0.00 C ATOM 0 HA PRO A 91 6.245 9.046 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.544 10.795 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.171 11.203 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.630 10.068 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.137 11.336 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.063 8.787 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.846 9.818 6.671 1.00 0.00 H new ATOM 1348 N PHE A 92 4.843 8.237 5.025 1.00 0.00 N ATOM 1349 CA PHE A 92 4.020 7.521 4.057 1.00 0.00 C ATOM 1350 C PHE A 92 4.047 8.217 2.700 1.00 0.00 C ATOM 1351 O PHE A 92 3.852 9.428 2.607 1.00 0.00 O ATOM 1352 CB PHE A 92 2.579 7.415 4.561 1.00 0.00 C ATOM 1353 CG PHE A 92 2.323 6.190 5.391 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.190 4.947 4.794 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.214 6.282 6.770 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.954 3.818 5.555 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.979 5.156 7.536 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.848 3.923 6.928 1.00 0.00 C ATOM 0 H PHE A 92 4.317 8.689 5.773 1.00 0.00 H new ATOM 0 HA PHE A 92 4.431 6.518 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.343 8.300 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.903 7.413 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.272 4.859 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.314 7.244 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.853 2.855 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.898 5.240 8.610 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.663 3.042 7.525 1.00 0.00 H new ATOM 1368 N GLY A 93 4.290 7.441 1.648 1.00 0.00 N ATOM 1369 CA GLY A 93 4.339 7.999 0.309 1.00 0.00 C ATOM 1370 C GLY A 93 3.025 8.634 -0.102 1.00 0.00 C ATOM 1371 O GLY A 93 1.987 8.374 0.505 1.00 0.00 O ATOM 0 H GLY A 93 4.454 6.436 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.132 8.746 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.597 7.212 -0.400 1.00 0.00 H new ATOM 1375 N GLN A 94 3.071 9.469 -1.135 1.00 0.00 N ATOM 1376 CA GLN A 94 1.875 10.145 -1.625 1.00 0.00 C ATOM 1377 C GLN A 94 0.739 9.151 -1.841 1.00 0.00 C ATOM 1378 O GLN A 94 0.769 8.355 -2.779 1.00 0.00 O ATOM 1379 CB GLN A 94 2.179 10.883 -2.930 1.00 0.00 C ATOM 1380 CG GLN A 94 2.696 12.297 -2.723 1.00 0.00 C ATOM 1381 CD GLN A 94 1.584 13.292 -2.459 1.00 0.00 C ATOM 1382 OE1 GLN A 94 0.776 13.111 -1.547 1.00 0.00 O ATOM 1383 NE2 GLN A 94 1.535 14.352 -3.257 1.00 0.00 N ATOM 0 H GLN A 94 3.923 9.694 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 94 1.562 10.868 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.917 10.314 -3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.273 10.921 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.393 12.306 -1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.255 12.608 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.224 14.463 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.808 15.055 -3.127 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.261 9.203 -0.967 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.406 8.305 -1.063 1.00 0.00 C ATOM 1394 C GLU A 95 -1.755 8.022 -2.522 1.00 0.00 C ATOM 1395 O GLU A 95 -1.576 8.875 -3.391 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.616 8.908 -0.346 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.209 10.112 -1.059 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.935 11.050 -0.115 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.368 11.379 0.948 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -5.070 11.456 -0.440 1.00 0.00 O ATOM 0 H GLU A 95 -0.302 9.857 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.139 7.364 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.385 8.142 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.321 9.202 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.413 10.657 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.901 9.769 -1.828 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.253 6.817 -2.782 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.626 6.420 -4.135 1.00 0.00 C ATOM 1409 C HIS A 96 -4.097 6.017 -4.196 1.00 0.00 C ATOM 1410 O HIS A 96 -4.708 5.703 -3.174 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.748 5.262 -4.610 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.008 4.856 -6.028 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -2.823 3.797 -6.370 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.558 5.374 -7.194 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.861 3.681 -7.685 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.102 4.626 -8.209 1.00 0.00 N ATOM 0 H HIS A 96 -2.407 6.099 -2.074 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.473 7.275 -4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.700 5.546 -4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.910 4.403 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.894 6.219 -7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.418 2.939 -8.238 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.945 4.776 -9.206 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.659 6.029 -5.400 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.058 5.665 -5.595 1.00 0.00 C ATOM 1427 C HIS A 97 -6.195 4.588 -6.666 1.00 0.00 C ATOM 1428 O HIS A 97 -6.153 4.879 -7.862 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.878 6.896 -5.984 1.00 0.00 C ATOM 1430 CG HIS A 97 -8.263 6.570 -6.451 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -8.764 6.985 -7.667 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -9.253 5.862 -5.860 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -10.003 6.549 -7.802 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -10.324 5.864 -6.719 1.00 0.00 N ATOM 0 H HIS A 97 -4.167 6.287 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.439 5.267 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.941 7.566 -5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.355 7.436 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.209 5.384 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.645 6.723 -8.653 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.222 5.410 -6.549 1.00 0.00 H new ATOM 1443 N SER A 98 -6.359 3.344 -6.230 1.00 0.00 N ATOM 1444 CA SER A 98 -6.498 2.222 -7.152 1.00 0.00 C ATOM 1445 C SER A 98 -7.841 2.275 -7.873 1.00 0.00 C ATOM 1446 O SER A 98 -8.831 2.761 -7.327 1.00 0.00 O ATOM 1447 CB SER A 98 -6.361 0.897 -6.401 1.00 0.00 C ATOM 1448 OG SER A 98 -6.253 -0.191 -7.302 1.00 0.00 O ATOM 0 H SER A 98 -6.399 3.087 -5.244 1.00 0.00 H new ATOM 0 HA SER A 98 -5.704 2.294 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.482 0.929 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.225 0.752 -5.753 1.00 0.00 H new ATOM 0 HG SER A 98 -6.992 -0.816 -7.150 1.00 0.00 H new