USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 29 SER OG : rot 20:sc= 0.308 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.02) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 51:sc= 0.457 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.083 K(o=-0.083,f=-0.69) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= 1.31 (180deg=0.549) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 76:sc= 0.545 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00476 USER MOD Single : A 72 THR OG1 : rot 70:sc= 0.768 USER MOD Single : A 80 SER OG : rot 87:sc= 1.24 USER MOD Single : A 81 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.011) USER MOD Single : A 84 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 86 HIS : no HD1:sc= -0.785 X(o=-0.78,f=-0.59) USER MOD Single : A 94 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0.108 USER MOD Single : A 102 SER OG : rot -143:sc= 1.28 USER MOD Single : A 103 SER OG : rot 180:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 13.395 11.746 -0.897 1.00 10.00 N ATOM 38 CA SER A 29 14.067 11.343 0.331 1.00 10.00 C ATOM 39 C SER A 29 14.819 10.028 0.131 1.00 10.00 C ATOM 40 O SER A 29 14.212 8.957 0.050 1.00 10.00 O ATOM 41 CB SER A 29 13.041 11.198 1.460 1.00 10.00 C ATOM 42 OG SER A 29 12.124 12.284 1.457 1.00 10.00 O ATOM 0 HA SER A 29 14.791 12.112 0.600 1.00 10.00 H new ATOM 0 HB2 SER A 29 12.499 10.259 1.345 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.555 11.154 2.420 1.00 10.00 H new ATOM 0 HG SER A 29 12.131 12.716 0.577 1.00 10.00 H new ATOM 48 N SER A 30 16.138 10.110 0.031 1.00 10.00 N ATOM 49 CA SER A 30 16.955 8.922 -0.157 1.00 10.00 C ATOM 50 C SER A 30 17.382 8.351 1.191 1.00 10.00 C ATOM 51 O SER A 30 17.517 9.086 2.174 1.00 10.00 O ATOM 52 CB SER A 30 18.181 9.259 -1.001 1.00 10.00 C ATOM 53 OG SER A 30 17.838 10.129 -2.070 1.00 10.00 O ATOM 0 H SER A 30 16.663 10.983 0.077 1.00 10.00 H new ATOM 0 HA SER A 30 16.364 8.170 -0.679 1.00 10.00 H new ATOM 0 HB2 SER A 30 18.940 9.728 -0.375 1.00 10.00 H new ATOM 0 HB3 SER A 30 18.617 8.342 -1.399 1.00 10.00 H new ATOM 0 HG SER A 30 18.639 10.333 -2.596 1.00 10.00 H new ATOM 59 N GLY A 31 17.584 7.042 1.240 1.00 10.00 N ATOM 60 CA GLY A 31 17.989 6.404 2.471 1.00 10.00 C ATOM 61 C GLY A 31 16.839 5.669 3.123 1.00 10.00 C ATOM 62 O GLY A 31 16.074 6.252 3.894 1.00 10.00 O ATOM 0 H GLY A 31 17.474 6.411 0.446 1.00 10.00 H new ATOM 0 HA2 GLY A 31 18.800 5.705 2.269 1.00 10.00 H new ATOM 0 HA3 GLY A 31 18.379 7.154 3.159 1.00 10.00 H new ATOM 66 N VAL A 32 16.702 4.393 2.799 1.00 10.00 N ATOM 67 CA VAL A 32 15.633 3.578 3.355 1.00 10.00 C ATOM 68 C VAL A 32 16.093 2.878 4.622 1.00 10.00 C ATOM 69 O VAL A 32 17.290 2.806 4.900 1.00 10.00 O ATOM 70 CB VAL A 32 15.121 2.533 2.337 1.00 10.00 C ATOM 71 CG1 VAL A 32 14.384 3.224 1.202 1.00 10.00 C ATOM 72 CG2 VAL A 32 16.268 1.688 1.800 1.00 10.00 C ATOM 0 H VAL A 32 17.318 3.899 2.153 1.00 10.00 H new ATOM 0 HA VAL A 32 14.809 4.250 3.596 1.00 10.00 H new ATOM 0 HB VAL A 32 14.427 1.866 2.848 1.00 10.00 H new ATOM 0 HG11 VAL A 32 14.028 2.478 0.492 1.00 10.00 H new ATOM 0 HG12 VAL A 32 13.535 3.777 1.603 1.00 10.00 H new ATOM 0 HG13 VAL A 32 15.060 3.914 0.696 1.00 10.00 H new ATOM 0 HG21 VAL A 32 15.881 0.961 1.086 1.00 10.00 H new ATOM 0 HG22 VAL A 32 16.994 2.333 1.304 1.00 10.00 H new ATOM 0 HG23 VAL A 32 16.752 1.165 2.625 1.00 10.00 H new ATOM 82 N HIS A 33 15.141 2.368 5.389 1.00 10.00 N ATOM 83 CA HIS A 33 15.445 1.673 6.632 1.00 10.00 C ATOM 84 C HIS A 33 14.948 0.236 6.566 1.00 10.00 C ATOM 85 O HIS A 33 14.333 -0.167 5.579 1.00 10.00 O ATOM 86 CB HIS A 33 14.809 2.390 7.828 1.00 10.00 C ATOM 87 CG HIS A 33 15.481 3.671 8.192 1.00 10.00 C ATOM 88 ND1 HIS A 33 16.365 3.745 9.240 1.00 10.00 N ATOM 89 CD2 HIS A 33 15.361 4.896 7.631 1.00 10.00 C ATOM 90 CE1 HIS A 33 16.758 5.005 9.293 1.00 10.00 C ATOM 91 NE2 HIS A 33 16.177 5.736 8.339 1.00 10.00 N ATOM 0 H HIS A 33 14.146 2.423 5.171 1.00 10.00 H new ATOM 0 HA HIS A 33 16.527 1.672 6.765 1.00 10.00 H new ATOM 0 HB2 HIS A 33 13.762 2.592 7.603 1.00 10.00 H new ATOM 0 HB3 HIS A 33 14.827 1.724 8.690 1.00 10.00 H new ATOM 0 HD2 HIS A 33 14.741 5.160 6.787 1.00 10.00 H new ATOM 0 HE1 HIS A 33 17.460 5.394 10.016 1.00 10.00 H new ATOM 0 HE2 HIS A 33 16.315 6.732 8.170 1.00 10.00 H new ATOM 99 N VAL A 34 15.214 -0.534 7.615 1.00 10.00 N ATOM 100 CA VAL A 34 14.784 -1.926 7.672 1.00 10.00 C ATOM 101 C VAL A 34 13.325 -2.027 8.115 1.00 10.00 C ATOM 102 O VAL A 34 12.705 -3.086 8.014 1.00 10.00 O ATOM 103 CB VAL A 34 15.673 -2.761 8.623 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.112 -2.782 8.132 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.603 -2.224 10.046 1.00 10.00 C ATOM 0 H VAL A 34 15.726 -0.217 8.438 1.00 10.00 H new ATOM 0 HA VAL A 34 14.883 -2.332 6.665 1.00 10.00 H new ATOM 0 HB VAL A 34 15.294 -3.783 8.627 1.00 10.00 H new ATOM 0 HG11 VAL A 34 17.721 -3.375 8.815 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.150 -3.223 7.136 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.498 -1.763 8.093 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.237 -2.829 10.695 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.948 -1.190 10.062 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.573 -2.268 10.401 1.00 10.00 H new ATOM 115 N GLU A 35 12.786 -0.920 8.615 1.00 10.00 N ATOM 116 CA GLU A 35 11.404 -0.879 9.064 1.00 10.00 C ATOM 117 C GLU A 35 10.757 0.446 8.655 1.00 10.00 C ATOM 118 O GLU A 35 10.782 1.426 9.408 1.00 10.00 O ATOM 119 CB GLU A 35 11.336 -1.064 10.585 1.00 10.00 C ATOM 120 CG GLU A 35 9.919 -1.169 11.130 1.00 10.00 C ATOM 121 CD GLU A 35 9.882 -1.135 12.641 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.455 -0.196 13.232 1.00 10.00 O ATOM 123 OE2 GLU A 35 9.270 -2.038 13.249 1.00 10.00 O ATOM 0 H GLU A 35 13.289 -0.039 8.719 1.00 10.00 H new ATOM 0 HA GLU A 35 10.855 -1.694 8.592 1.00 10.00 H new ATOM 0 HB2 GLU A 35 11.887 -1.964 10.857 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.839 -0.225 11.066 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.319 -0.349 10.735 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.464 -2.095 10.778 1.00 10.00 H new ATOM 130 N ASP A 36 10.204 0.481 7.453 1.00 10.00 N ATOM 131 CA ASP A 36 9.560 1.687 6.941 1.00 10.00 C ATOM 132 C ASP A 36 8.153 1.382 6.428 1.00 10.00 C ATOM 133 O ASP A 36 7.517 2.219 5.783 1.00 10.00 O ATOM 134 CB ASP A 36 10.411 2.343 5.838 1.00 10.00 C ATOM 135 CG ASP A 36 10.799 1.396 4.715 1.00 10.00 C ATOM 136 OD1 ASP A 36 10.253 0.272 4.650 1.00 10.00 O ATOM 137 OD2 ASP A 36 11.658 1.776 3.889 1.00 10.00 O ATOM 0 H ASP A 36 10.187 -0.311 6.811 1.00 10.00 H new ATOM 0 HA ASP A 36 9.474 2.393 7.767 1.00 10.00 H new ATOM 0 HB2 ASP A 36 9.858 3.183 5.417 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.317 2.751 6.286 1.00 10.00 H new ATOM 142 N ALA A 37 7.660 0.190 6.745 1.00 10.00 N ATOM 143 CA ALA A 37 6.326 -0.224 6.333 1.00 10.00 C ATOM 144 C ALA A 37 5.261 0.703 6.911 1.00 10.00 C ATOM 145 O ALA A 37 4.341 1.134 6.213 1.00 10.00 O ATOM 146 CB ALA A 37 6.074 -1.657 6.769 1.00 10.00 C ATOM 0 H ALA A 37 8.167 -0.508 7.288 1.00 10.00 H new ATOM 0 HA ALA A 37 6.266 -0.165 5.246 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.075 -1.961 6.458 1.00 10.00 H new ATOM 0 HB2 ALA A 37 6.813 -2.313 6.308 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.154 -1.727 7.854 1.00 10.00 H new ATOM 152 N LEU A 38 5.411 1.018 8.193 1.00 10.00 N ATOM 153 CA LEU A 38 4.478 1.895 8.896 1.00 10.00 C ATOM 154 C LEU A 38 4.484 3.299 8.291 1.00 10.00 C ATOM 155 O LEU A 38 3.463 3.988 8.288 1.00 10.00 O ATOM 156 CB LEU A 38 4.827 1.967 10.391 1.00 10.00 C ATOM 157 CG LEU A 38 6.129 2.700 10.731 1.00 10.00 C ATOM 158 CD1 LEU A 38 6.070 3.257 12.144 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.333 1.780 10.578 1.00 10.00 C ATOM 0 H LEU A 38 6.178 0.676 8.772 1.00 10.00 H new ATOM 0 HA LEU A 38 3.478 1.476 8.786 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.007 2.458 10.914 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.890 0.951 10.781 1.00 10.00 H new ATOM 0 HG LEU A 38 6.242 3.527 10.030 1.00 10.00 H new ATOM 0 HD11 LEU A 38 7.002 3.775 12.370 1.00 10.00 H new ATOM 0 HD12 LEU A 38 5.238 3.956 12.225 1.00 10.00 H new ATOM 0 HD13 LEU A 38 5.928 2.440 12.851 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.243 2.327 10.826 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.228 0.928 11.250 1.00 10.00 H new ATOM 0 HD23 LEU A 38 7.392 1.426 9.549 1.00 10.00 H new ATOM 171 N THR A 39 5.638 3.707 7.772 1.00 10.00 N ATOM 172 CA THR A 39 5.790 5.021 7.170 1.00 10.00 C ATOM 173 C THR A 39 4.873 5.183 5.959 1.00 10.00 C ATOM 174 O THR A 39 4.108 6.147 5.874 1.00 10.00 O ATOM 175 CB THR A 39 7.250 5.258 6.750 1.00 10.00 C ATOM 176 OG1 THR A 39 8.127 4.813 7.796 1.00 10.00 O ATOM 177 CG2 THR A 39 7.509 6.731 6.453 1.00 10.00 C ATOM 0 H THR A 39 6.485 3.139 7.758 1.00 10.00 H new ATOM 0 HA THR A 39 5.509 5.761 7.919 1.00 10.00 H new ATOM 0 HB THR A 39 7.441 4.691 5.839 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.058 4.962 7.528 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.550 6.865 6.159 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.858 7.059 5.643 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.305 7.323 7.345 1.00 10.00 H new ATOM 185 N TYR A 40 4.933 4.225 5.038 1.00 10.00 N ATOM 186 CA TYR A 40 4.099 4.280 3.842 1.00 10.00 C ATOM 187 C TYR A 40 2.634 4.044 4.197 1.00 10.00 C ATOM 188 O TYR A 40 1.737 4.565 3.540 1.00 10.00 O ATOM 189 CB TYR A 40 4.568 3.260 2.805 1.00 10.00 C ATOM 190 CG TYR A 40 4.307 3.691 1.375 1.00 10.00 C ATOM 191 CD1 TYR A 40 3.609 2.874 0.497 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.755 4.923 0.906 1.00 10.00 C ATOM 193 CE1 TYR A 40 3.370 3.267 -0.808 1.00 10.00 C ATOM 194 CE2 TYR A 40 4.521 5.322 -0.395 1.00 10.00 C ATOM 195 CZ TYR A 40 3.826 4.493 -1.250 1.00 10.00 C ATOM 196 OH TYR A 40 3.589 4.882 -2.551 1.00 10.00 O ATOM 0 H TYR A 40 5.543 3.410 5.095 1.00 10.00 H new ATOM 0 HA TYR A 40 4.194 5.276 3.409 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.636 3.086 2.935 1.00 10.00 H new ATOM 0 HB3 TYR A 40 4.066 2.310 2.988 1.00 10.00 H new ATOM 0 HD1 TYR A 40 3.246 1.916 0.838 1.00 10.00 H new ATOM 0 HD2 TYR A 40 5.296 5.579 1.572 1.00 10.00 H new ATOM 0 HE1 TYR A 40 2.828 2.617 -1.479 1.00 10.00 H new ATOM 0 HE2 TYR A 40 4.881 6.280 -0.742 1.00 10.00 H new ATOM 0 HH TYR A 40 3.974 5.771 -2.702 1.00 10.00 H new ATOM 206 N LEU A 41 2.398 3.266 5.247 1.00 10.00 N ATOM 207 CA LEU A 41 1.039 2.976 5.694 1.00 10.00 C ATOM 208 C LEU A 41 0.367 4.242 6.221 1.00 10.00 C ATOM 209 O LEU A 41 -0.837 4.442 6.044 1.00 10.00 O ATOM 210 CB LEU A 41 1.055 1.888 6.779 1.00 10.00 C ATOM 211 CG LEU A 41 0.169 0.665 6.500 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.298 1.064 6.438 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.590 -0.030 5.211 1.00 10.00 C ATOM 0 H LEU A 41 3.129 2.825 5.805 1.00 10.00 H new ATOM 0 HA LEU A 41 0.466 2.610 4.842 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.082 1.548 6.913 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.741 2.335 7.722 1.00 10.00 H new ATOM 0 HG LEU A 41 0.298 -0.038 7.323 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -1.907 0.182 6.239 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.596 1.504 7.390 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.444 1.792 5.640 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.053 -0.893 5.036 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.499 0.665 4.376 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.625 -0.360 5.297 1.00 10.00 H new ATOM 225 N ASP A 42 1.154 5.106 6.857 1.00 10.00 N ATOM 226 CA ASP A 42 0.630 6.357 7.393 1.00 10.00 C ATOM 227 C ASP A 42 0.355 7.338 6.263 1.00 10.00 C ATOM 228 O ASP A 42 -0.584 8.134 6.335 1.00 10.00 O ATOM 229 CB ASP A 42 1.597 6.976 8.407 1.00 10.00 C ATOM 230 CG ASP A 42 0.947 8.089 9.205 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.137 7.856 9.786 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.517 9.199 9.271 1.00 10.00 O ATOM 0 H ASP A 42 2.152 4.963 7.013 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.304 6.137 7.910 1.00 10.00 H new ATOM 0 HB2 ASP A 42 1.953 6.202 9.087 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.470 7.367 7.884 1.00 10.00 H new ATOM 237 N GLN A 43 1.169 7.262 5.209 1.00 10.00 N ATOM 238 CA GLN A 43 1.004 8.133 4.048 1.00 10.00 C ATOM 239 C GLN A 43 -0.373 7.911 3.427 1.00 10.00 C ATOM 240 O GLN A 43 -1.036 8.859 2.999 1.00 10.00 O ATOM 241 CB GLN A 43 2.102 7.874 3.010 1.00 10.00 C ATOM 242 CG GLN A 43 3.494 8.277 3.476 1.00 10.00 C ATOM 243 CD GLN A 43 3.602 9.763 3.779 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.380 10.196 4.911 1.00 10.00 O ATOM 245 NE2 GLN A 43 3.958 10.552 2.775 1.00 10.00 N ATOM 0 H GLN A 43 1.947 6.607 5.137 1.00 10.00 H new ATOM 0 HA GLN A 43 1.087 9.169 4.377 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.107 6.814 2.756 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.862 8.419 2.097 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.753 7.708 4.369 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.221 8.013 2.708 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.133 10.155 1.852 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.057 11.556 2.926 1.00 10.00 H new ATOM 254 N VAL A 44 -0.799 6.651 3.406 1.00 10.00 N ATOM 255 CA VAL A 44 -2.100 6.275 2.876 1.00 10.00 C ATOM 256 C VAL A 44 -3.202 6.976 3.670 1.00 10.00 C ATOM 257 O VAL A 44 -4.188 7.463 3.111 1.00 10.00 O ATOM 258 CB VAL A 44 -2.307 4.740 2.940 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.698 4.357 2.455 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.242 4.022 2.124 1.00 10.00 C ATOM 0 H VAL A 44 -0.251 5.865 3.756 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.145 6.583 1.831 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.214 4.430 3.981 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.817 3.275 2.510 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.448 4.837 3.084 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.826 4.684 1.423 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.404 2.946 2.181 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.302 4.343 1.084 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.256 4.262 2.521 1.00 10.00 H new ATOM 270 N LYS A 45 -2.995 7.053 4.976 1.00 10.00 N ATOM 271 CA LYS A 45 -3.944 7.689 5.876 1.00 10.00 C ATOM 272 C LYS A 45 -4.015 9.195 5.613 1.00 10.00 C ATOM 273 O LYS A 45 -5.087 9.795 5.670 1.00 10.00 O ATOM 274 CB LYS A 45 -3.536 7.418 7.329 1.00 10.00 C ATOM 275 CG LYS A 45 -4.422 8.099 8.352 1.00 10.00 C ATOM 276 CD LYS A 45 -3.971 7.787 9.768 1.00 10.00 C ATOM 277 CE LYS A 45 -3.394 9.012 10.458 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.170 9.519 9.781 1.00 10.00 N ATOM 0 H LYS A 45 -2.168 6.678 5.440 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.934 7.269 5.698 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.553 6.343 7.506 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.508 7.749 7.475 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.404 9.177 8.192 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.454 7.774 8.217 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -4.816 7.409 10.344 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.222 6.996 9.745 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.146 9.801 10.482 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.158 8.765 11.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.709 10.231 10.384 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.514 8.730 9.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.430 9.952 8.872 1.00 10.00 H new ATOM 292 N ILE A 46 -2.870 9.794 5.318 1.00 10.00 N ATOM 293 CA ILE A 46 -2.806 11.227 5.041 1.00 10.00 C ATOM 294 C ILE A 46 -3.453 11.536 3.694 1.00 10.00 C ATOM 295 O ILE A 46 -4.224 12.489 3.570 1.00 10.00 O ATOM 296 CB ILE A 46 -1.351 11.744 5.043 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.655 11.378 6.353 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.326 13.252 4.834 1.00 10.00 C ATOM 299 CD1 ILE A 46 0.799 11.785 6.407 1.00 10.00 C ATOM 0 H ILE A 46 -1.972 9.313 5.264 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.351 11.736 5.836 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.814 11.269 4.222 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -1.186 11.851 7.180 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.727 10.301 6.503 1.00 10.00 H new ATOM 0 HG21 ILE A 46 -0.294 13.603 4.838 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.788 13.494 3.877 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.878 13.740 5.637 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.224 11.491 7.367 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.345 11.292 5.603 1.00 10.00 H new ATOM 0 HD13 ILE A 46 0.879 12.866 6.290 1.00 10.00 H new ATOM 311 N ARG A 47 -3.148 10.713 2.696 1.00 10.00 N ATOM 312 CA ARG A 47 -3.699 10.887 1.358 1.00 10.00 C ATOM 313 C ARG A 47 -5.221 10.755 1.365 1.00 10.00 C ATOM 314 O ARG A 47 -5.914 11.462 0.637 1.00 10.00 O ATOM 315 CB ARG A 47 -3.087 9.866 0.394 1.00 10.00 C ATOM 316 CG ARG A 47 -1.856 10.375 -0.342 1.00 10.00 C ATOM 317 CD ARG A 47 -2.237 11.331 -1.463 1.00 10.00 C ATOM 318 NE ARG A 47 -1.064 11.861 -2.163 1.00 10.00 N ATOM 319 CZ ARG A 47 -1.077 12.956 -2.923 1.00 10.00 C ATOM 320 NH1 ARG A 47 -2.205 13.649 -3.087 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.040 13.357 -3.521 1.00 10.00 N ATOM 0 H ARG A 47 -2.519 9.915 2.790 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.447 11.892 1.020 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.820 8.969 0.952 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.841 9.574 -0.337 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.193 10.881 0.360 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.301 9.532 -0.753 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.880 10.814 -2.175 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.816 12.158 -1.052 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.181 11.360 -2.062 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.063 13.342 -2.630 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.209 14.486 -3.670 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.903 12.827 -3.398 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.034 14.194 -4.103 1.00 10.00 H new ATOM 335 N PHE A 48 -5.737 9.856 2.194 1.00 10.00 N ATOM 336 CA PHE A 48 -7.179 9.648 2.284 1.00 10.00 C ATOM 337 C PHE A 48 -7.759 10.325 3.518 1.00 10.00 C ATOM 338 O PHE A 48 -8.689 9.814 4.146 1.00 10.00 O ATOM 339 CB PHE A 48 -7.507 8.155 2.300 1.00 10.00 C ATOM 340 CG PHE A 48 -7.115 7.442 1.037 1.00 10.00 C ATOM 341 CD1 PHE A 48 -7.433 7.976 -0.201 1.00 10.00 C ATOM 342 CD2 PHE A 48 -6.427 6.242 1.086 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.074 7.326 -1.364 1.00 10.00 C ATOM 344 CE2 PHE A 48 -6.067 5.589 -0.073 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.389 6.133 -1.300 1.00 10.00 C ATOM 0 H PHE A 48 -5.183 9.262 2.811 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.634 10.100 1.403 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.999 7.688 3.144 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.577 8.028 2.462 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -7.968 8.912 -0.257 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -6.169 5.813 2.043 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -7.330 7.752 -2.323 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -5.533 4.652 -0.021 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.104 5.624 -2.209 1.00 10.00 H new ATOM 355 N GLY A 49 -7.213 11.483 3.851 1.00 10.00 N ATOM 356 CA GLY A 49 -7.682 12.227 5.002 1.00 10.00 C ATOM 357 C GLY A 49 -9.145 12.595 4.881 1.00 10.00 C ATOM 358 O GLY A 49 -9.884 12.581 5.866 1.00 10.00 O ATOM 0 H GLY A 49 -6.448 11.925 3.341 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.531 11.633 5.904 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -7.088 13.134 5.114 1.00 10.00 H new ATOM 362 N SER A 50 -9.567 12.902 3.665 1.00 10.00 N ATOM 363 CA SER A 50 -10.948 13.276 3.409 1.00 10.00 C ATOM 364 C SER A 50 -11.730 12.111 2.805 1.00 10.00 C ATOM 365 O SER A 50 -12.840 12.294 2.303 1.00 10.00 O ATOM 366 CB SER A 50 -10.997 14.487 2.475 1.00 10.00 C ATOM 367 OG SER A 50 -10.039 15.465 2.854 1.00 10.00 O ATOM 0 H SER A 50 -8.971 12.899 2.838 1.00 10.00 H new ATOM 0 HA SER A 50 -11.413 13.538 4.359 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.809 14.167 1.450 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.995 14.925 2.494 1.00 10.00 H new ATOM 0 HG SER A 50 -10.090 16.228 2.240 1.00 10.00 H new ATOM 373 N ASP A 51 -11.158 10.913 2.862 1.00 10.00 N ATOM 374 CA ASP A 51 -11.822 9.734 2.316 1.00 10.00 C ATOM 375 C ASP A 51 -11.575 8.516 3.201 1.00 10.00 C ATOM 376 O ASP A 51 -10.775 7.638 2.864 1.00 10.00 O ATOM 377 CB ASP A 51 -11.339 9.451 0.893 1.00 10.00 C ATOM 378 CG ASP A 51 -12.366 8.685 0.086 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.840 7.631 0.560 1.00 10.00 O ATOM 380 OD2 ASP A 51 -12.707 9.135 -1.032 1.00 10.00 O ATOM 0 H ASP A 51 -10.244 10.733 3.277 1.00 10.00 H new ATOM 0 HA ASP A 51 -12.893 9.935 2.289 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.114 10.393 0.393 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.411 8.881 0.932 1.00 10.00 H new ATOM 385 N PRO A 52 -12.253 8.452 4.360 1.00 10.00 N ATOM 386 CA PRO A 52 -12.107 7.336 5.300 1.00 10.00 C ATOM 387 C PRO A 52 -12.574 6.010 4.708 1.00 10.00 C ATOM 388 O PRO A 52 -12.091 4.950 5.098 1.00 10.00 O ATOM 389 CB PRO A 52 -12.987 7.734 6.491 1.00 10.00 C ATOM 390 CG PRO A 52 -13.909 8.788 5.985 1.00 10.00 C ATOM 391 CD PRO A 52 -13.199 9.471 4.851 1.00 10.00 C ATOM 0 HA PRO A 52 -11.063 7.175 5.569 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.544 6.877 6.868 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.381 8.109 7.316 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.849 8.351 5.647 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.154 9.500 6.773 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -13.895 9.779 4.071 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -12.680 10.369 5.187 1.00 10.00 H new ATOM 399 N ALA A 53 -13.502 6.078 3.756 1.00 10.00 N ATOM 400 CA ALA A 53 -14.033 4.882 3.112 1.00 10.00 C ATOM 401 C ALA A 53 -12.935 4.126 2.375 1.00 10.00 C ATOM 402 O ALA A 53 -12.763 2.919 2.565 1.00 10.00 O ATOM 403 CB ALA A 53 -15.157 5.247 2.155 1.00 10.00 C ATOM 0 H ALA A 53 -13.902 6.952 3.414 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.433 4.230 3.889 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.541 4.343 1.683 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.959 5.738 2.706 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.777 5.923 1.389 1.00 10.00 H new ATOM 409 N THR A 54 -12.175 4.843 1.556 1.00 10.00 N ATOM 410 CA THR A 54 -11.097 4.233 0.797 1.00 10.00 C ATOM 411 C THR A 54 -10.030 3.667 1.734 1.00 10.00 C ATOM 412 O THR A 54 -9.483 2.591 1.493 1.00 10.00 O ATOM 413 CB THR A 54 -10.460 5.246 -0.170 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.486 5.937 -0.894 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.534 4.556 -1.160 1.00 10.00 C ATOM 0 H THR A 54 -12.287 5.845 1.403 1.00 10.00 H new ATOM 0 HA THR A 54 -11.523 3.417 0.213 1.00 10.00 H new ATOM 0 HB THR A 54 -9.876 5.952 0.421 1.00 10.00 H new ATOM 0 HG1 THR A 54 -12.145 6.296 -0.264 1.00 10.00 H new ATOM 0 HG21 THR A 54 -9.099 5.298 -1.830 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.738 4.045 -0.618 1.00 10.00 H new ATOM 0 HG23 THR A 54 -10.100 3.829 -1.742 1.00 10.00 H new ATOM 423 N TYR A 55 -9.756 4.383 2.818 1.00 10.00 N ATOM 424 CA TYR A 55 -8.758 3.947 3.785 1.00 10.00 C ATOM 425 C TYR A 55 -9.242 2.713 4.545 1.00 10.00 C ATOM 426 O TYR A 55 -8.470 1.787 4.797 1.00 10.00 O ATOM 427 CB TYR A 55 -8.426 5.077 4.761 1.00 10.00 C ATOM 428 CG TYR A 55 -7.291 4.750 5.708 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.081 4.259 5.231 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.427 4.934 7.077 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.042 3.965 6.089 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.392 4.642 7.942 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.202 4.156 7.443 1.00 10.00 C ATOM 434 OH TYR A 55 -4.164 3.865 8.303 1.00 10.00 O ATOM 0 H TYR A 55 -10.210 5.267 3.049 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.852 3.681 3.241 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.168 5.971 4.193 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.316 5.315 5.343 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -5.952 4.105 4.170 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.358 5.312 7.472 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.108 3.587 5.701 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -6.514 4.793 9.004 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.439 4.056 9.224 1.00 10.00 H new ATOM 444 N ASN A 56 -10.521 2.701 4.895 1.00 10.00 N ATOM 445 CA ASN A 56 -11.113 1.574 5.617 1.00 10.00 C ATOM 446 C ASN A 56 -11.088 0.325 4.755 1.00 10.00 C ATOM 447 O ASN A 56 -10.780 -0.769 5.238 1.00 10.00 O ATOM 448 CB ASN A 56 -12.549 1.895 6.039 1.00 10.00 C ATOM 449 CG ASN A 56 -12.644 2.322 7.489 1.00 10.00 C ATOM 450 OD1 ASN A 56 -11.687 2.831 8.066 1.00 10.00 O ATOM 451 ND2 ASN A 56 -13.803 2.115 8.082 1.00 10.00 N ATOM 0 H ASN A 56 -11.173 3.459 4.692 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.522 1.395 6.515 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -12.943 2.688 5.403 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.176 1.018 5.880 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -13.931 2.381 9.058 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.572 1.689 7.564 1.00 10.00 H new ATOM 458 N GLY A 57 -11.398 0.498 3.472 1.00 10.00 N ATOM 459 CA GLY A 57 -11.389 -0.616 2.541 1.00 10.00 C ATOM 460 C GLY A 57 -9.998 -1.184 2.358 1.00 10.00 C ATOM 461 O GLY A 57 -9.834 -2.371 2.065 1.00 10.00 O ATOM 0 H GLY A 57 -11.656 1.395 3.060 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -12.056 -1.398 2.903 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.777 -0.287 1.577 1.00 10.00 H new ATOM 465 N PHE A 58 -8.996 -0.332 2.542 1.00 10.00 N ATOM 466 CA PHE A 58 -7.606 -0.736 2.413 1.00 10.00 C ATOM 467 C PHE A 58 -7.250 -1.758 3.481 1.00 10.00 C ATOM 468 O PHE A 58 -6.578 -2.756 3.206 1.00 10.00 O ATOM 469 CB PHE A 58 -6.691 0.489 2.526 1.00 10.00 C ATOM 470 CG PHE A 58 -5.227 0.188 2.341 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.393 0.031 3.440 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.682 0.069 1.074 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.049 -0.242 3.275 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.340 -0.205 0.905 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.522 -0.360 2.005 1.00 10.00 C ATOM 0 H PHE A 58 -9.125 0.651 2.783 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.464 -1.194 1.434 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.995 1.225 1.782 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.835 0.947 3.505 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.800 0.123 4.436 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -5.315 0.192 0.207 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.412 -0.363 4.138 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.930 -0.298 -0.090 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.472 -0.573 1.873 1.00 10.00 H new ATOM 485 N LEU A 59 -7.718 -1.515 4.695 1.00 10.00 N ATOM 486 CA LEU A 59 -7.454 -2.415 5.811 1.00 10.00 C ATOM 487 C LEU A 59 -8.095 -3.776 5.566 1.00 10.00 C ATOM 488 O LEU A 59 -7.591 -4.801 6.032 1.00 10.00 O ATOM 489 CB LEU A 59 -7.987 -1.815 7.112 1.00 10.00 C ATOM 490 CG LEU A 59 -7.341 -0.488 7.530 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.068 0.109 8.720 1.00 10.00 C ATOM 492 CD2 LEU A 59 -5.873 -0.692 7.862 1.00 10.00 C ATOM 0 H LEU A 59 -8.284 -0.701 4.935 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.375 -2.548 5.896 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.061 -1.662 7.010 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.843 -2.539 7.914 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.417 0.206 6.693 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -7.595 1.050 9.001 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.110 0.292 8.456 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.023 -0.585 9.559 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.431 0.260 8.156 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -5.781 -1.404 8.682 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.352 -1.078 6.986 1.00 10.00 H new ATOM 504 N GLU A 60 -9.202 -3.778 4.830 1.00 10.00 N ATOM 505 CA GLU A 60 -9.908 -5.011 4.511 1.00 10.00 C ATOM 506 C GLU A 60 -9.077 -5.864 3.556 1.00 10.00 C ATOM 507 O GLU A 60 -9.102 -7.092 3.622 1.00 10.00 O ATOM 508 CB GLU A 60 -11.273 -4.710 3.884 1.00 10.00 C ATOM 509 CG GLU A 60 -12.123 -3.747 4.699 1.00 10.00 C ATOM 510 CD GLU A 60 -12.547 -4.322 6.033 1.00 10.00 C ATOM 511 OE1 GLU A 60 -13.692 -4.804 6.137 1.00 10.00 O ATOM 512 OE2 GLU A 60 -11.747 -4.285 6.990 1.00 10.00 O ATOM 0 H GLU A 60 -9.629 -2.936 4.443 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.065 -5.562 5.438 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.121 -4.293 2.888 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.819 -5.645 3.758 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -11.562 -2.828 4.867 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.010 -3.479 4.126 1.00 10.00 H new ATOM 519 N ILE A 61 -8.342 -5.198 2.670 1.00 10.00 N ATOM 520 CA ILE A 61 -7.484 -5.881 1.707 1.00 10.00 C ATOM 521 C ILE A 61 -6.327 -6.557 2.440 1.00 10.00 C ATOM 522 O ILE A 61 -5.900 -7.657 2.083 1.00 10.00 O ATOM 523 CB ILE A 61 -6.929 -4.890 0.660 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.078 -4.230 -0.105 1.00 10.00 C ATOM 525 CG2 ILE A 61 -5.978 -5.591 -0.303 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.636 -3.098 -1.011 1.00 10.00 C ATOM 0 H ILE A 61 -8.324 -4.181 2.599 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.079 -6.632 1.187 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.368 -4.117 1.184 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.585 -4.986 -0.704 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.807 -3.848 0.610 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.601 -4.872 -1.030 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.143 -6.015 0.255 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -6.509 -6.388 -0.823 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.504 -2.679 -1.520 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.155 -2.322 -0.416 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -6.930 -3.478 -1.750 1.00 10.00 H new ATOM 538 N MET A 62 -5.848 -5.896 3.492 1.00 10.00 N ATOM 539 CA MET A 62 -4.755 -6.420 4.301 1.00 10.00 C ATOM 540 C MET A 62 -5.180 -7.716 4.982 1.00 10.00 C ATOM 541 O MET A 62 -4.369 -8.615 5.197 1.00 10.00 O ATOM 542 CB MET A 62 -4.330 -5.393 5.354 1.00 10.00 C ATOM 543 CG MET A 62 -2.856 -5.007 5.291 1.00 10.00 C ATOM 544 SD MET A 62 -1.771 -6.230 6.053 1.00 10.00 S ATOM 545 CE MET A 62 -0.673 -6.605 4.688 1.00 10.00 C ATOM 0 H MET A 62 -6.203 -4.992 3.803 1.00 10.00 H new ATOM 0 HA MET A 62 -3.907 -6.623 3.647 1.00 10.00 H new ATOM 0 HB2 MET A 62 -4.935 -4.494 5.234 1.00 10.00 H new ATOM 0 HB3 MET A 62 -4.547 -5.793 6.344 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.566 -4.872 4.249 1.00 10.00 H new ATOM 0 HG3 MET A 62 -2.716 -4.047 5.788 1.00 10.00 H new ATOM 0 HE1 MET A 62 0.058 -7.349 5.003 1.00 10.00 H new ATOM 0 HE2 MET A 62 -1.252 -6.997 3.852 1.00 10.00 H new ATOM 0 HE3 MET A 62 -0.156 -5.697 4.377 1.00 10.00 H new ATOM 555 N LYS A 63 -6.466 -7.815 5.297 1.00 10.00 N ATOM 556 CA LYS A 63 -7.014 -8.999 5.948 1.00 10.00 C ATOM 557 C LYS A 63 -6.861 -10.236 5.069 1.00 10.00 C ATOM 558 O LYS A 63 -6.550 -11.321 5.559 1.00 10.00 O ATOM 559 CB LYS A 63 -8.490 -8.787 6.274 1.00 10.00 C ATOM 560 CG LYS A 63 -8.737 -7.761 7.363 1.00 10.00 C ATOM 561 CD LYS A 63 -10.224 -7.515 7.547 1.00 10.00 C ATOM 562 CE LYS A 63 -10.504 -6.647 8.762 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.917 -6.194 8.803 1.00 10.00 N ATOM 0 H LYS A 63 -7.153 -7.084 5.111 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.455 -9.158 6.870 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -9.011 -8.474 5.369 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.925 -9.739 6.579 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -8.303 -8.108 8.301 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -8.238 -6.826 7.107 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.626 -7.034 6.656 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.740 -8.469 7.655 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -10.275 -7.207 9.669 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.845 -5.779 8.748 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -12.187 -5.987 9.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -12.023 -5.335 8.227 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -12.533 -6.942 8.425 1.00 10.00 H new ATOM 577 N GLU A 64 -7.072 -10.061 3.770 1.00 10.00 N ATOM 578 CA GLU A 64 -6.964 -11.164 2.820 1.00 10.00 C ATOM 579 C GLU A 64 -5.532 -11.694 2.778 1.00 10.00 C ATOM 580 O GLU A 64 -5.306 -12.900 2.665 1.00 10.00 O ATOM 581 CB GLU A 64 -7.400 -10.720 1.419 1.00 10.00 C ATOM 582 CG GLU A 64 -8.693 -9.927 1.402 1.00 10.00 C ATOM 583 CD GLU A 64 -9.343 -9.883 0.030 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.477 -10.391 -0.111 1.00 10.00 O ATOM 585 OE2 GLU A 64 -8.732 -9.343 -0.911 1.00 10.00 O ATOM 0 H GLU A 64 -7.319 -9.165 3.349 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.627 -11.963 3.153 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -6.608 -10.115 0.977 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.517 -11.602 0.789 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.391 -10.365 2.115 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -8.493 -8.909 1.736 1.00 10.00 H new ATOM 592 N PHE A 65 -4.569 -10.786 2.887 1.00 10.00 N ATOM 593 CA PHE A 65 -3.162 -11.161 2.863 1.00 10.00 C ATOM 594 C PHE A 65 -2.758 -11.808 4.189 1.00 10.00 C ATOM 595 O PHE A 65 -1.960 -12.744 4.215 1.00 10.00 O ATOM 596 CB PHE A 65 -2.282 -9.944 2.571 1.00 10.00 C ATOM 597 CG PHE A 65 -0.842 -10.296 2.330 1.00 10.00 C ATOM 598 CD1 PHE A 65 0.140 -9.924 3.235 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.472 -11.004 1.199 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.465 -10.251 3.016 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.849 -11.335 0.974 1.00 10.00 C ATOM 602 CZ PHE A 65 1.820 -10.958 1.884 1.00 10.00 C ATOM 0 H PHE A 65 -4.738 -9.786 2.993 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.016 -11.888 2.064 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -2.673 -9.423 1.697 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.344 -9.250 3.409 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.134 -9.372 4.122 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.226 -11.301 0.485 1.00 10.00 H new ATOM 0 HE1 PHE A 65 2.221 -9.954 3.728 1.00 10.00 H new ATOM 0 HE2 PHE A 65 1.124 -11.888 0.088 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.854 -11.216 1.710 1.00 10.00 H new ATOM 612 N LYS A 66 -3.322 -11.308 5.285 1.00 10.00 N ATOM 613 CA LYS A 66 -3.032 -11.841 6.615 1.00 10.00 C ATOM 614 C LYS A 66 -3.510 -13.283 6.739 1.00 10.00 C ATOM 615 O LYS A 66 -2.820 -14.124 7.311 1.00 10.00 O ATOM 616 CB LYS A 66 -3.684 -10.975 7.698 1.00 10.00 C ATOM 617 CG LYS A 66 -2.996 -9.633 7.884 1.00 10.00 C ATOM 618 CD LYS A 66 -3.792 -8.710 8.791 1.00 10.00 C ATOM 619 CE LYS A 66 -3.682 -9.119 10.255 1.00 10.00 C ATOM 620 NZ LYS A 66 -4.177 -8.053 11.168 1.00 10.00 N ATOM 0 H LYS A 66 -3.984 -10.532 5.279 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.951 -11.822 6.755 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.730 -10.808 7.440 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.672 -11.517 8.644 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -2.003 -9.789 8.306 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.858 -9.158 6.913 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -3.435 -7.687 8.672 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.839 -8.719 8.489 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -4.253 -10.033 10.421 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -2.642 -9.346 10.491 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -4.085 -8.370 12.154 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -3.616 -7.188 11.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -5.176 -7.854 10.960 1.00 10.00 H new ATOM 634 N SER A 67 -4.686 -13.563 6.194 1.00 10.00 N ATOM 635 CA SER A 67 -5.248 -14.908 6.233 1.00 10.00 C ATOM 636 C SER A 67 -4.655 -15.780 5.125 1.00 10.00 C ATOM 637 O SER A 67 -5.015 -16.953 4.985 1.00 10.00 O ATOM 638 CB SER A 67 -6.765 -14.834 6.099 1.00 10.00 C ATOM 639 OG SER A 67 -7.292 -13.829 6.951 1.00 10.00 O ATOM 0 H SER A 67 -5.271 -12.876 5.719 1.00 10.00 H new ATOM 0 HA SER A 67 -4.995 -15.365 7.190 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.034 -14.620 5.065 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.205 -15.799 6.350 1.00 10.00 H new ATOM 0 HG SER A 67 -7.124 -12.947 6.559 1.00 10.00 H new ATOM 645 N GLN A 68 -3.753 -15.186 4.342 1.00 10.00 N ATOM 646 CA GLN A 68 -3.074 -15.871 3.242 1.00 10.00 C ATOM 647 C GLN A 68 -4.054 -16.356 2.182 1.00 10.00 C ATOM 648 O GLN A 68 -3.833 -17.384 1.535 1.00 10.00 O ATOM 649 CB GLN A 68 -2.229 -17.031 3.771 1.00 10.00 C ATOM 650 CG GLN A 68 -1.009 -16.581 4.563 1.00 10.00 C ATOM 651 CD GLN A 68 -0.078 -17.725 4.901 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.855 -18.024 4.153 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.326 -18.375 6.025 1.00 10.00 N ATOM 0 H GLN A 68 -3.472 -14.212 4.454 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.414 -15.147 2.764 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -2.851 -17.664 4.405 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -1.902 -17.644 2.931 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.464 -15.832 3.989 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.336 -16.100 5.485 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.109 -18.094 6.615 1.00 10.00 H new ATOM 0 HE22 GLN A 68 0.266 -19.158 6.303 1.00 10.00 H new ATOM 662 N SER A 69 -5.137 -15.616 2.002 1.00 10.00 N ATOM 663 CA SER A 69 -6.126 -15.963 0.998 1.00 10.00 C ATOM 664 C SER A 69 -5.616 -15.539 -0.376 1.00 10.00 C ATOM 665 O SER A 69 -6.013 -16.085 -1.402 1.00 10.00 O ATOM 666 CB SER A 69 -7.452 -15.278 1.316 1.00 10.00 C ATOM 667 OG SER A 69 -7.711 -15.310 2.714 1.00 10.00 O ATOM 0 H SER A 69 -5.351 -14.774 2.537 1.00 10.00 H new ATOM 0 HA SER A 69 -6.290 -17.041 0.998 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.426 -14.245 0.969 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.261 -15.774 0.780 1.00 10.00 H new ATOM 0 HG SER A 69 -8.564 -14.865 2.899 1.00 10.00 H new ATOM 673 N ILE A 70 -4.722 -14.559 -0.368 1.00 10.00 N ATOM 674 CA ILE A 70 -4.118 -14.039 -1.586 1.00 10.00 C ATOM 675 C ILE A 70 -2.621 -13.862 -1.370 1.00 10.00 C ATOM 676 O ILE A 70 -2.107 -14.177 -0.294 1.00 10.00 O ATOM 677 CB ILE A 70 -4.735 -12.688 -2.007 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.594 -11.656 -0.884 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.198 -12.870 -2.387 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.015 -10.259 -1.286 1.00 10.00 C ATOM 0 H ILE A 70 -4.396 -14.103 0.484 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.308 -14.756 -2.384 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.194 -12.318 -2.878 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.193 -11.975 -0.031 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.556 -11.632 -0.553 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.620 -11.909 -2.682 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.273 -13.570 -3.219 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -6.750 -13.262 -1.533 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -4.888 -9.583 -0.440 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.399 -9.919 -2.118 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.062 -10.268 -1.589 1.00 10.00 H new ATOM 692 N ASP A 71 -1.924 -13.375 -2.386 1.00 10.00 N ATOM 693 CA ASP A 71 -0.488 -13.162 -2.296 1.00 10.00 C ATOM 694 C ASP A 71 -0.123 -11.810 -2.906 1.00 10.00 C ATOM 695 O ASP A 71 -0.940 -10.885 -2.908 1.00 10.00 O ATOM 696 CB ASP A 71 0.269 -14.307 -2.991 1.00 10.00 C ATOM 697 CG ASP A 71 1.708 -14.450 -2.514 1.00 10.00 C ATOM 698 OD1 ASP A 71 2.613 -13.848 -3.139 1.00 10.00 O ATOM 699 OD2 ASP A 71 1.949 -15.171 -1.522 1.00 10.00 O ATOM 0 H ASP A 71 -2.332 -13.119 -3.285 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.193 -13.156 -1.247 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -0.260 -15.243 -2.815 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.265 -14.136 -4.068 1.00 10.00 H new ATOM 704 N THR A 72 1.090 -11.709 -3.433 1.00 10.00 N ATOM 705 CA THR A 72 1.596 -10.478 -4.033 1.00 10.00 C ATOM 706 C THR A 72 0.692 -9.935 -5.156 1.00 10.00 C ATOM 707 O THR A 72 0.225 -8.801 -5.068 1.00 10.00 O ATOM 708 CB THR A 72 3.028 -10.687 -4.573 1.00 10.00 C ATOM 709 OG1 THR A 72 3.816 -11.394 -3.603 1.00 10.00 O ATOM 710 CG2 THR A 72 3.687 -9.356 -4.903 1.00 10.00 C ATOM 0 H THR A 72 1.755 -12.482 -3.457 1.00 10.00 H new ATOM 0 HA THR A 72 1.604 -9.732 -3.238 1.00 10.00 H new ATOM 0 HB THR A 72 2.966 -11.274 -5.489 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.503 -12.320 -3.540 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.694 -9.532 -5.281 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.100 -8.838 -5.661 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.739 -8.743 -4.003 1.00 10.00 H new ATOM 718 N PRO A 73 0.417 -10.713 -6.222 1.00 10.00 N ATOM 719 CA PRO A 73 -0.433 -10.243 -7.327 1.00 10.00 C ATOM 720 C PRO A 73 -1.854 -9.897 -6.881 1.00 10.00 C ATOM 721 O PRO A 73 -2.439 -8.913 -7.342 1.00 10.00 O ATOM 722 CB PRO A 73 -0.453 -11.428 -8.301 1.00 10.00 C ATOM 723 CG PRO A 73 -0.028 -12.611 -7.502 1.00 10.00 C ATOM 724 CD PRO A 73 0.908 -12.085 -6.457 1.00 10.00 C ATOM 0 HA PRO A 73 -0.045 -9.322 -7.761 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.449 -11.575 -8.719 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.223 -11.258 -9.139 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -0.887 -13.103 -7.045 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.466 -13.351 -8.132 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.875 -12.686 -5.548 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.941 -12.089 -6.804 1.00 10.00 H new ATOM 732 N GLY A 74 -2.392 -10.698 -5.965 1.00 10.00 N ATOM 733 CA GLY A 74 -3.741 -10.489 -5.474 1.00 10.00 C ATOM 734 C GLY A 74 -3.911 -9.187 -4.719 1.00 10.00 C ATOM 735 O GLY A 74 -4.880 -8.460 -4.943 1.00 10.00 O ATOM 0 H GLY A 74 -1.910 -11.496 -5.551 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.433 -10.505 -6.316 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.015 -11.318 -4.821 1.00 10.00 H new ATOM 739 N VAL A 75 -2.976 -8.882 -3.829 1.00 10.00 N ATOM 740 CA VAL A 75 -3.065 -7.659 -3.045 1.00 10.00 C ATOM 741 C VAL A 75 -2.893 -6.419 -3.927 1.00 10.00 C ATOM 742 O VAL A 75 -3.606 -5.426 -3.761 1.00 10.00 O ATOM 743 CB VAL A 75 -2.053 -7.644 -1.865 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.617 -7.466 -2.337 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.425 -6.565 -0.860 1.00 10.00 C ATOM 0 H VAL A 75 -2.157 -9.457 -3.634 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.066 -7.634 -2.613 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.110 -8.618 -1.378 1.00 10.00 H new ATOM 0 HG11 VAL A 75 0.051 -7.462 -1.476 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.348 -8.287 -3.001 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.524 -6.521 -2.872 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.707 -6.568 -0.040 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.412 -5.591 -1.350 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.423 -6.761 -0.468 1.00 10.00 H new ATOM 755 N ILE A 76 -1.979 -6.494 -4.890 1.00 10.00 N ATOM 756 CA ILE A 76 -1.730 -5.383 -5.796 1.00 10.00 C ATOM 757 C ILE A 76 -2.957 -5.130 -6.665 1.00 10.00 C ATOM 758 O ILE A 76 -3.377 -3.987 -6.845 1.00 10.00 O ATOM 759 CB ILE A 76 -0.489 -5.640 -6.686 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.777 -5.707 -5.824 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.350 -4.560 -7.748 1.00 10.00 C ATOM 762 CD1 ILE A 76 2.026 -6.050 -6.605 1.00 10.00 C ATOM 0 H ILE A 76 -1.399 -7.315 -5.061 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.528 -4.499 -5.192 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.622 -6.597 -7.191 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.921 -4.746 -5.329 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.633 -6.451 -5.040 1.00 10.00 H new ATOM 0 HG21 ILE A 76 0.529 -4.763 -8.360 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.239 -4.554 -8.379 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.240 -3.588 -7.267 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.881 -6.079 -5.929 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.903 -7.024 -7.078 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.195 -5.294 -7.371 1.00 10.00 H new ATOM 774 N ARG A 77 -3.545 -6.205 -7.173 1.00 10.00 N ATOM 775 CA ARG A 77 -4.731 -6.111 -8.020 1.00 10.00 C ATOM 776 C ARG A 77 -5.896 -5.478 -7.256 1.00 10.00 C ATOM 777 O ARG A 77 -6.672 -4.703 -7.815 1.00 10.00 O ATOM 778 CB ARG A 77 -5.127 -7.502 -8.521 1.00 10.00 C ATOM 779 CG ARG A 77 -6.160 -7.484 -9.632 1.00 10.00 C ATOM 780 CD ARG A 77 -6.673 -8.881 -9.922 1.00 10.00 C ATOM 781 NE ARG A 77 -7.496 -9.400 -8.829 1.00 10.00 N ATOM 782 CZ ARG A 77 -7.142 -10.411 -8.035 1.00 10.00 C ATOM 783 NH1 ARG A 77 -5.978 -11.033 -8.203 1.00 10.00 N ATOM 784 NH2 ARG A 77 -7.967 -10.810 -7.081 1.00 10.00 N ATOM 0 H ARG A 77 -3.219 -7.158 -7.013 1.00 10.00 H new ATOM 0 HA ARG A 77 -4.495 -5.476 -8.874 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -4.235 -8.017 -8.876 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -5.518 -8.081 -7.684 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -6.992 -6.839 -9.349 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -5.721 -7.060 -10.535 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -7.258 -8.869 -10.842 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -5.829 -9.550 -10.089 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.401 -8.959 -8.664 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -5.345 -10.738 -8.946 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -5.719 -11.805 -7.589 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.866 -10.345 -6.957 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -7.704 -11.583 -6.469 1.00 10.00 H new ATOM 798 N ARG A 78 -6.005 -5.810 -5.975 1.00 10.00 N ATOM 799 CA ARG A 78 -7.068 -5.275 -5.130 1.00 10.00 C ATOM 800 C ARG A 78 -6.883 -3.777 -4.906 1.00 10.00 C ATOM 801 O ARG A 78 -7.803 -2.987 -5.118 1.00 10.00 O ATOM 802 CB ARG A 78 -7.088 -5.994 -3.778 1.00 10.00 C ATOM 803 CG ARG A 78 -8.068 -7.153 -3.695 1.00 10.00 C ATOM 804 CD ARG A 78 -9.471 -6.685 -3.344 1.00 10.00 C ATOM 805 NE ARG A 78 -10.160 -7.648 -2.486 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.487 -7.731 -2.354 1.00 10.00 C ATOM 807 NH1 ARG A 78 -12.274 -6.895 -3.027 1.00 10.00 N ATOM 808 NH2 ARG A 78 -12.025 -8.648 -1.551 1.00 10.00 N ATOM 0 H ARG A 78 -5.369 -6.449 -5.497 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.017 -5.440 -5.641 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -6.086 -6.366 -3.564 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.333 -5.271 -3.000 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -8.089 -7.680 -4.649 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.725 -7.866 -2.945 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.418 -5.720 -2.840 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -10.045 -6.536 -4.259 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.588 -8.302 -1.951 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.864 -6.192 -3.642 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -13.287 -6.957 -2.928 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.423 -9.290 -1.034 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -13.038 -8.708 -1.453 1.00 10.00 H new ATOM 822 N VAL A 79 -5.679 -3.391 -4.505 1.00 10.00 N ATOM 823 CA VAL A 79 -5.372 -1.991 -4.228 1.00 10.00 C ATOM 824 C VAL A 79 -5.426 -1.134 -5.495 1.00 10.00 C ATOM 825 O VAL A 79 -5.788 0.040 -5.433 1.00 10.00 O ATOM 826 CB VAL A 79 -3.999 -1.837 -3.539 1.00 10.00 C ATOM 827 CG1 VAL A 79 -3.684 -0.371 -3.289 1.00 10.00 C ATOM 828 CG2 VAL A 79 -3.975 -2.608 -2.230 1.00 10.00 C ATOM 0 H VAL A 79 -4.896 -4.029 -4.363 1.00 10.00 H new ATOM 0 HA VAL A 79 -6.142 -1.633 -3.545 1.00 10.00 H new ATOM 0 HB VAL A 79 -3.237 -2.246 -4.202 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -2.712 -0.285 -2.803 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -3.663 0.164 -4.239 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -4.451 0.061 -2.646 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -3.001 -2.490 -1.756 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -4.750 -2.224 -1.567 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -4.157 -3.665 -2.427 1.00 10.00 H new ATOM 838 N SER A 80 -5.102 -1.723 -6.641 1.00 10.00 N ATOM 839 CA SER A 80 -5.135 -0.991 -7.904 1.00 10.00 C ATOM 840 C SER A 80 -6.547 -0.491 -8.203 1.00 10.00 C ATOM 841 O SER A 80 -6.731 0.526 -8.870 1.00 10.00 O ATOM 842 CB SER A 80 -4.630 -1.866 -9.048 1.00 10.00 C ATOM 843 OG SER A 80 -3.276 -2.232 -8.839 1.00 10.00 O ATOM 0 H SER A 80 -4.815 -2.698 -6.723 1.00 10.00 H new ATOM 0 HA SER A 80 -4.476 -0.128 -7.811 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.246 -2.762 -9.127 1.00 10.00 H new ATOM 0 HB3 SER A 80 -4.725 -1.330 -9.992 1.00 10.00 H new ATOM 0 HG SER A 80 -3.237 -3.043 -8.290 1.00 10.00 H new ATOM 849 N GLN A 81 -7.535 -1.211 -7.691 1.00 10.00 N ATOM 850 CA GLN A 81 -8.930 -0.845 -7.880 1.00 10.00 C ATOM 851 C GLN A 81 -9.364 0.154 -6.818 1.00 10.00 C ATOM 852 O GLN A 81 -10.252 0.974 -7.041 1.00 10.00 O ATOM 853 CB GLN A 81 -9.809 -2.090 -7.816 1.00 10.00 C ATOM 854 CG GLN A 81 -9.909 -2.822 -9.140 1.00 10.00 C ATOM 855 CD GLN A 81 -10.866 -2.147 -10.101 1.00 10.00 C ATOM 856 OE1 GLN A 81 -12.064 -2.433 -10.105 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.346 -1.259 -10.927 1.00 10.00 N ATOM 0 H GLN A 81 -7.394 -2.057 -7.138 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.040 -0.382 -8.860 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.411 -2.769 -7.062 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -10.809 -1.804 -7.490 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -8.921 -2.880 -9.596 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.238 -3.846 -8.962 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.348 -1.051 -10.890 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -10.942 -0.780 -11.602 1.00 10.00 H new ATOM 866 N LEU A 82 -8.735 0.073 -5.659 1.00 10.00 N ATOM 867 CA LEU A 82 -9.038 0.970 -4.562 1.00 10.00 C ATOM 868 C LEU A 82 -8.427 2.342 -4.831 1.00 10.00 C ATOM 869 O LEU A 82 -9.082 3.369 -4.670 1.00 10.00 O ATOM 870 CB LEU A 82 -8.500 0.388 -3.257 1.00 10.00 C ATOM 871 CG LEU A 82 -8.898 1.136 -1.985 1.00 10.00 C ATOM 872 CD1 LEU A 82 -10.374 0.933 -1.678 1.00 10.00 C ATOM 873 CD2 LEU A 82 -8.046 0.680 -0.814 1.00 10.00 C ATOM 0 H LEU A 82 -8.006 -0.611 -5.454 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.118 1.083 -4.474 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.842 -0.643 -3.172 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.412 0.359 -3.314 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.727 2.200 -2.147 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.634 1.475 -0.769 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.973 1.308 -2.508 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -10.574 -0.129 -1.537 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.342 1.222 0.084 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -8.187 -0.389 -0.656 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.996 0.879 -1.029 1.00 10.00 H new ATOM 885 N PHE A 83 -7.172 2.342 -5.266 1.00 10.00 N ATOM 886 CA PHE A 83 -6.451 3.574 -5.567 1.00 10.00 C ATOM 887 C PHE A 83 -6.645 3.946 -7.035 1.00 10.00 C ATOM 888 O PHE A 83 -5.706 4.382 -7.702 1.00 10.00 O ATOM 889 CB PHE A 83 -4.950 3.411 -5.286 1.00 10.00 C ATOM 890 CG PHE A 83 -4.577 3.213 -3.835 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.535 2.994 -2.854 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.243 3.245 -3.458 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.166 2.811 -1.535 1.00 10.00 C ATOM 894 CE2 PHE A 83 -2.871 3.063 -2.138 1.00 10.00 C ATOM 895 CZ PHE A 83 -3.834 2.846 -1.178 1.00 10.00 C ATOM 0 H PHE A 83 -6.628 1.493 -5.419 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.848 4.363 -4.928 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.582 2.559 -5.857 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.430 4.293 -5.659 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.580 2.966 -3.125 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -2.483 3.415 -4.206 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -5.922 2.640 -0.782 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -1.827 3.091 -1.861 1.00 10.00 H new ATOM 0 HZ PHE A 83 -3.547 2.703 -0.147 1.00 10.00 H new ATOM 905 N HIS A 84 -7.870 3.797 -7.527 1.00 10.00 N ATOM 906 CA HIS A 84 -8.177 4.096 -8.926 1.00 10.00 C ATOM 907 C HIS A 84 -8.007 5.583 -9.236 1.00 10.00 C ATOM 908 O HIS A 84 -7.836 5.962 -10.392 1.00 10.00 O ATOM 909 CB HIS A 84 -9.589 3.615 -9.303 1.00 10.00 C ATOM 910 CG HIS A 84 -10.705 4.259 -8.534 1.00 10.00 C ATOM 911 ND1 HIS A 84 -11.470 5.261 -9.088 1.00 10.00 N ATOM 912 CD2 HIS A 84 -11.154 4.002 -7.283 1.00 10.00 C ATOM 913 CE1 HIS A 84 -12.359 5.586 -8.169 1.00 10.00 C ATOM 914 NE2 HIS A 84 -12.204 4.851 -7.061 1.00 10.00 N ATOM 0 H HIS A 84 -8.668 3.472 -6.981 1.00 10.00 H new ATOM 0 HA HIS A 84 -7.460 3.548 -9.537 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -9.747 3.798 -10.366 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.641 2.536 -9.154 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.760 3.269 -6.594 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -13.115 6.347 -8.294 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -12.764 4.912 -6.211 1.00 10.00 H new ATOM 922 N GLU A 85 -8.051 6.421 -8.208 1.00 10.00 N ATOM 923 CA GLU A 85 -7.883 7.859 -8.387 1.00 10.00 C ATOM 924 C GLU A 85 -6.484 8.295 -7.943 1.00 10.00 C ATOM 925 O GLU A 85 -6.164 9.487 -7.932 1.00 10.00 O ATOM 926 CB GLU A 85 -8.949 8.618 -7.590 1.00 10.00 C ATOM 927 CG GLU A 85 -10.358 8.453 -8.129 1.00 10.00 C ATOM 928 CD GLU A 85 -10.591 9.239 -9.400 1.00 10.00 C ATOM 929 OE1 GLU A 85 -10.022 8.872 -10.452 1.00 10.00 O ATOM 930 OE2 GLU A 85 -11.349 10.231 -9.360 1.00 10.00 O ATOM 0 H GLU A 85 -8.201 6.131 -7.242 1.00 10.00 H new ATOM 0 HA GLU A 85 -8.000 8.092 -9.445 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.925 8.277 -6.555 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.696 9.678 -7.583 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.549 7.397 -8.319 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -11.073 8.774 -7.371 1.00 10.00 H new ATOM 937 N HIS A 86 -5.644 7.324 -7.596 1.00 10.00 N ATOM 938 CA HIS A 86 -4.290 7.614 -7.139 1.00 10.00 C ATOM 939 C HIS A 86 -3.277 6.682 -7.806 1.00 10.00 C ATOM 940 O HIS A 86 -2.698 5.812 -7.147 1.00 10.00 O ATOM 941 CB HIS A 86 -4.201 7.466 -5.611 1.00 10.00 C ATOM 942 CG HIS A 86 -5.000 8.480 -4.842 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.361 8.359 -4.695 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.585 9.598 -4.196 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.745 9.396 -3.968 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.703 10.172 -3.643 1.00 10.00 N ATOM 0 H HIS A 86 -5.877 6.331 -7.623 1.00 10.00 H new ATOM 0 HA HIS A 86 -4.053 8.641 -7.416 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.541 6.468 -5.334 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.156 7.541 -5.311 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -3.572 9.966 -4.129 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.766 9.591 -3.675 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.734 11.028 -3.089 1.00 10.00 H new ATOM 954 N PRO A 87 -3.041 6.847 -9.122 1.00 10.00 N ATOM 955 CA PRO A 87 -2.090 6.004 -9.860 1.00 10.00 C ATOM 956 C PRO A 87 -0.663 6.143 -9.330 1.00 10.00 C ATOM 957 O PRO A 87 0.129 5.200 -9.393 1.00 10.00 O ATOM 958 CB PRO A 87 -2.177 6.522 -11.302 1.00 10.00 C ATOM 959 CG PRO A 87 -2.780 7.880 -11.203 1.00 10.00 C ATOM 960 CD PRO A 87 -3.675 7.852 -9.997 1.00 10.00 C ATOM 0 HA PRO A 87 -2.333 4.946 -9.764 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -1.191 6.564 -11.764 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.790 5.865 -11.919 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -2.008 8.642 -11.098 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -3.346 8.122 -12.103 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.729 8.828 -9.514 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.694 7.570 -10.260 1.00 10.00 H new ATOM 968 N ASP A 88 -0.350 7.323 -8.798 1.00 10.00 N ATOM 969 CA ASP A 88 0.976 7.608 -8.251 1.00 10.00 C ATOM 970 C ASP A 88 1.329 6.618 -7.157 1.00 10.00 C ATOM 971 O ASP A 88 2.421 6.055 -7.136 1.00 10.00 O ATOM 972 CB ASP A 88 1.017 9.021 -7.672 1.00 10.00 C ATOM 973 CG ASP A 88 1.559 10.047 -8.641 1.00 10.00 C ATOM 974 OD1 ASP A 88 2.792 10.093 -8.834 1.00 10.00 O ATOM 975 OD2 ASP A 88 0.757 10.841 -9.180 1.00 10.00 O ATOM 0 H ASP A 88 -1.003 8.104 -8.734 1.00 10.00 H new ATOM 0 HA ASP A 88 1.699 7.521 -9.062 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.011 9.312 -7.370 1.00 10.00 H new ATOM 0 HB3 ASP A 88 1.632 9.020 -6.772 1.00 10.00 H new ATOM 980 N LEU A 89 0.379 6.401 -6.258 1.00 10.00 N ATOM 981 CA LEU A 89 0.572 5.489 -5.137 1.00 10.00 C ATOM 982 C LEU A 89 0.768 4.053 -5.615 1.00 10.00 C ATOM 983 O LEU A 89 1.543 3.302 -5.028 1.00 10.00 O ATOM 984 CB LEU A 89 -0.616 5.568 -4.174 1.00 10.00 C ATOM 985 CG LEU A 89 -0.861 6.948 -3.555 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.031 6.900 -2.582 1.00 10.00 C ATOM 987 CD2 LEU A 89 0.403 7.451 -2.869 1.00 10.00 C ATOM 0 H LEU A 89 -0.538 6.846 -6.283 1.00 10.00 H new ATOM 0 HA LEU A 89 1.476 5.795 -4.611 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.516 5.261 -4.706 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.460 4.849 -3.370 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.118 7.647 -4.351 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.189 7.890 -2.153 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -2.931 6.586 -3.111 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -1.812 6.190 -1.785 1.00 10.00 H new ATOM 0 HD21 LEU A 89 0.215 8.432 -2.434 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.692 6.754 -2.082 1.00 10.00 H new ATOM 0 HD23 LEU A 89 1.208 7.527 -3.600 1.00 10.00 H new ATOM 999 N ILE A 90 0.060 3.681 -6.677 1.00 10.00 N ATOM 1000 CA ILE A 90 0.155 2.339 -7.238 1.00 10.00 C ATOM 1001 C ILE A 90 1.574 2.070 -7.744 1.00 10.00 C ATOM 1002 O ILE A 90 2.166 1.030 -7.446 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.857 2.145 -8.391 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.289 2.298 -7.872 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.669 0.784 -9.050 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.341 2.277 -8.965 1.00 10.00 C ATOM 0 H ILE A 90 -0.590 4.295 -7.168 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.083 1.629 -6.446 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.675 2.914 -9.142 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.497 1.495 -7.165 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.368 3.236 -7.322 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.391 0.668 -9.858 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.341 0.711 -9.453 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -0.823 -0.002 -8.311 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.330 2.390 -8.521 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -3.160 3.097 -9.660 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.290 1.329 -9.500 1.00 10.00 H new ATOM 1018 N VAL A 91 2.122 3.021 -8.493 1.00 10.00 N ATOM 1019 CA VAL A 91 3.469 2.884 -9.033 1.00 10.00 C ATOM 1020 C VAL A 91 4.508 2.976 -7.918 1.00 10.00 C ATOM 1021 O VAL A 91 5.466 2.201 -7.882 1.00 10.00 O ATOM 1022 CB VAL A 91 3.769 3.965 -10.093 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.141 3.746 -10.719 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.692 3.981 -11.162 1.00 10.00 C ATOM 0 H VAL A 91 1.655 3.894 -8.739 1.00 10.00 H new ATOM 0 HA VAL A 91 3.525 1.904 -9.508 1.00 10.00 H new ATOM 0 HB VAL A 91 3.773 4.934 -9.595 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.329 4.520 -11.463 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.906 3.793 -9.944 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.170 2.768 -11.199 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.923 4.750 -11.899 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.652 3.008 -11.652 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.727 4.196 -10.703 1.00 10.00 H new ATOM 1034 N GLY A 92 4.302 3.923 -7.007 1.00 10.00 N ATOM 1035 CA GLY A 92 5.217 4.113 -5.899 1.00 10.00 C ATOM 1036 C GLY A 92 5.342 2.883 -5.025 1.00 10.00 C ATOM 1037 O GLY A 92 6.447 2.496 -4.641 1.00 10.00 O ATOM 0 H GLY A 92 3.510 4.566 -7.019 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.200 4.379 -6.287 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.876 4.952 -5.292 1.00 10.00 H new ATOM 1041 N PHE A 93 4.213 2.259 -4.720 1.00 10.00 N ATOM 1042 CA PHE A 93 4.197 1.067 -3.880 1.00 10.00 C ATOM 1043 C PHE A 93 4.972 -0.078 -4.525 1.00 10.00 C ATOM 1044 O PHE A 93 5.618 -0.867 -3.835 1.00 10.00 O ATOM 1045 CB PHE A 93 2.761 0.631 -3.607 1.00 10.00 C ATOM 1046 CG PHE A 93 2.656 -0.567 -2.705 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.878 -0.446 -1.342 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.332 -1.812 -3.219 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.782 -1.544 -0.510 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.234 -2.911 -2.391 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.459 -2.777 -1.036 1.00 10.00 C ATOM 0 H PHE A 93 3.293 2.559 -5.042 1.00 10.00 H new ATOM 0 HA PHE A 93 4.683 1.319 -2.937 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.217 1.462 -3.158 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.272 0.405 -4.555 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.129 0.518 -0.926 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.154 -1.923 -4.278 1.00 10.00 H new ATOM 0 HE1 PHE A 93 2.959 -1.437 0.550 1.00 10.00 H new ATOM 0 HE2 PHE A 93 1.981 -3.877 -2.803 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.382 -3.637 -0.388 1.00 10.00 H new ATOM 1061 N ASN A 94 4.911 -0.154 -5.850 1.00 10.00 N ATOM 1062 CA ASN A 94 5.602 -1.203 -6.596 1.00 10.00 C ATOM 1063 C ASN A 94 7.101 -1.169 -6.326 1.00 10.00 C ATOM 1064 O ASN A 94 7.743 -2.212 -6.206 1.00 10.00 O ATOM 1065 CB ASN A 94 5.355 -1.049 -8.103 1.00 10.00 C ATOM 1066 CG ASN A 94 4.077 -1.715 -8.572 1.00 10.00 C ATOM 1067 OD1 ASN A 94 3.587 -2.662 -7.954 1.00 10.00 O ATOM 1068 ND2 ASN A 94 3.533 -1.234 -9.678 1.00 10.00 N ATOM 0 H ASN A 94 4.388 0.500 -6.433 1.00 10.00 H new ATOM 0 HA ASN A 94 5.203 -2.161 -6.261 1.00 10.00 H new ATOM 0 HB2 ASN A 94 5.316 0.012 -8.351 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.199 -1.473 -8.648 1.00 10.00 H new ATOM 0 HD21 ASN A 94 2.678 -1.649 -10.048 1.00 10.00 H new ATOM 0 HD22 ASN A 94 3.969 -0.449 -10.161 1.00 10.00 H new ATOM 1075 N ALA A 95 7.652 0.033 -6.219 1.00 10.00 N ATOM 1076 CA ALA A 95 9.078 0.200 -5.979 1.00 10.00 C ATOM 1077 C ALA A 95 9.391 0.283 -4.489 1.00 10.00 C ATOM 1078 O ALA A 95 10.531 0.058 -4.075 1.00 10.00 O ATOM 1079 CB ALA A 95 9.588 1.442 -6.695 1.00 10.00 C ATOM 0 H ALA A 95 7.132 0.907 -6.295 1.00 10.00 H new ATOM 0 HA ALA A 95 9.588 -0.678 -6.376 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.656 1.557 -6.508 1.00 10.00 H new ATOM 0 HB2 ALA A 95 9.416 1.341 -7.767 1.00 10.00 H new ATOM 0 HB3 ALA A 95 9.058 2.319 -6.324 1.00 10.00 H new ATOM 1085 N PHE A 96 8.385 0.602 -3.686 1.00 10.00 N ATOM 1086 CA PHE A 96 8.569 0.719 -2.243 1.00 10.00 C ATOM 1087 C PHE A 96 8.814 -0.646 -1.610 1.00 10.00 C ATOM 1088 O PHE A 96 9.582 -0.767 -0.659 1.00 10.00 O ATOM 1089 CB PHE A 96 7.360 1.390 -1.587 1.00 10.00 C ATOM 1090 CG PHE A 96 7.678 2.035 -0.262 1.00 10.00 C ATOM 1091 CD1 PHE A 96 7.935 3.393 -0.184 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.727 1.280 0.902 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.238 3.987 1.028 1.00 10.00 C ATOM 1094 CE2 PHE A 96 8.028 1.867 2.116 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.285 3.224 2.179 1.00 10.00 C ATOM 0 H PHE A 96 7.434 0.784 -4.007 1.00 10.00 H new ATOM 0 HA PHE A 96 9.447 1.343 -2.075 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.962 2.146 -2.264 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.576 0.647 -1.442 1.00 10.00 H new ATOM 0 HD1 PHE A 96 7.899 3.996 -1.080 1.00 10.00 H new ATOM 0 HD2 PHE A 96 7.527 0.220 0.858 1.00 10.00 H new ATOM 0 HE1 PHE A 96 8.438 5.047 1.075 1.00 10.00 H new ATOM 0 HE2 PHE A 96 8.062 1.267 3.014 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.522 3.687 3.126 1.00 10.00 H new ATOM 1105 N LEU A 97 8.164 -1.669 -2.142 1.00 10.00 N ATOM 1106 CA LEU A 97 8.321 -3.021 -1.613 1.00 10.00 C ATOM 1107 C LEU A 97 9.691 -3.597 -1.959 1.00 10.00 C ATOM 1108 O LEU A 97 10.095 -3.610 -3.122 1.00 10.00 O ATOM 1109 CB LEU A 97 7.230 -3.950 -2.143 1.00 10.00 C ATOM 1110 CG LEU A 97 5.876 -3.826 -1.448 1.00 10.00 C ATOM 1111 CD1 LEU A 97 5.017 -5.035 -1.757 1.00 10.00 C ATOM 1112 CD2 LEU A 97 6.041 -3.680 0.057 1.00 10.00 C ATOM 0 H LEU A 97 7.526 -1.594 -2.934 1.00 10.00 H new ATOM 0 HA LEU A 97 8.233 -2.952 -0.529 1.00 10.00 H new ATOM 0 HB2 LEU A 97 7.094 -3.754 -3.207 1.00 10.00 H new ATOM 0 HB3 LEU A 97 7.575 -4.980 -2.050 1.00 10.00 H new ATOM 0 HG LEU A 97 5.386 -2.929 -1.826 1.00 10.00 H new ATOM 0 HD11 LEU A 97 4.054 -4.935 -1.256 1.00 10.00 H new ATOM 0 HD12 LEU A 97 4.860 -5.104 -2.833 1.00 10.00 H new ATOM 0 HD13 LEU A 97 5.518 -5.937 -1.404 1.00 10.00 H new ATOM 0 HD21 LEU A 97 5.060 -3.594 0.524 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.556 -4.555 0.453 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.626 -2.786 0.274 1.00 10.00 H new ATOM 1124 N PRO A 98 10.427 -4.070 -0.939 1.00 10.00 N ATOM 1125 CA PRO A 98 11.755 -4.663 -1.125 1.00 10.00 C ATOM 1126 C PRO A 98 11.673 -6.101 -1.631 1.00 10.00 C ATOM 1127 O PRO A 98 12.641 -6.639 -2.171 1.00 10.00 O ATOM 1128 CB PRO A 98 12.345 -4.619 0.287 1.00 10.00 C ATOM 1129 CG PRO A 98 11.174 -4.715 1.197 1.00 10.00 C ATOM 1130 CD PRO A 98 10.029 -4.040 0.484 1.00 10.00 C ATOM 0 HA PRO A 98 12.351 -4.135 -1.870 1.00 10.00 H new ATOM 0 HB2 PRO A 98 13.040 -5.443 0.450 1.00 10.00 H new ATOM 0 HB3 PRO A 98 12.900 -3.696 0.454 1.00 10.00 H new ATOM 0 HG2 PRO A 98 10.936 -5.756 1.417 1.00 10.00 H new ATOM 0 HG3 PRO A 98 11.381 -4.227 2.150 1.00 10.00 H new ATOM 0 HD2 PRO A 98 9.090 -4.569 0.647 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.885 -3.019 0.837 1.00 10.00 H new ATOM 1138 N SER A 99 10.507 -6.709 -1.456 1.00 10.00 N ATOM 1139 CA SER A 99 10.268 -8.080 -1.878 1.00 10.00 C ATOM 1140 C SER A 99 10.265 -8.192 -3.403 1.00 10.00 C ATOM 1141 O SER A 99 9.607 -7.410 -4.091 1.00 10.00 O ATOM 1142 CB SER A 99 8.936 -8.555 -1.305 1.00 10.00 C ATOM 1143 OG SER A 99 8.475 -7.654 -0.302 1.00 10.00 O ATOM 0 H SER A 99 9.701 -6.264 -1.017 1.00 10.00 H new ATOM 0 HA SER A 99 11.073 -8.712 -1.502 1.00 10.00 H new ATOM 0 HB2 SER A 99 8.197 -8.630 -2.102 1.00 10.00 H new ATOM 0 HB3 SER A 99 9.051 -9.553 -0.881 1.00 10.00 H new ATOM 0 HG SER A 99 7.619 -7.971 0.054 1.00 10.00 H new ATOM 1149 N GLY A 100 11.015 -9.155 -3.925 1.00 10.00 N ATOM 1150 CA GLY A 100 11.086 -9.354 -5.357 1.00 10.00 C ATOM 1151 C GLY A 100 12.296 -10.171 -5.750 1.00 10.00 C ATOM 1152 O GLY A 100 12.519 -11.250 -5.202 1.00 10.00 O ATOM 0 H GLY A 100 11.578 -9.805 -3.376 1.00 10.00 H new ATOM 0 HA2 GLY A 100 10.181 -9.856 -5.700 1.00 10.00 H new ATOM 0 HA3 GLY A 100 11.122 -8.386 -5.857 1.00 10.00 H new ATOM 1156 N PRO A 101 13.102 -9.683 -6.700 1.00 10.00 N ATOM 1157 CA PRO A 101 14.309 -10.377 -7.148 1.00 10.00 C ATOM 1158 C PRO A 101 15.534 -9.984 -6.324 1.00 10.00 C ATOM 1159 O PRO A 101 16.671 -10.074 -6.792 1.00 10.00 O ATOM 1160 CB PRO A 101 14.450 -9.884 -8.578 1.00 10.00 C ATOM 1161 CG PRO A 101 13.915 -8.489 -8.555 1.00 10.00 C ATOM 1162 CD PRO A 101 12.892 -8.426 -7.441 1.00 10.00 C ATOM 0 HA PRO A 101 14.238 -11.460 -7.050 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.490 -9.903 -8.902 1.00 10.00 H new ATOM 0 HB3 PRO A 101 13.889 -10.512 -9.270 1.00 10.00 H new ATOM 0 HG2 PRO A 101 14.717 -7.771 -8.383 1.00 10.00 H new ATOM 0 HG3 PRO A 101 13.459 -8.235 -9.512 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.047 -7.555 -6.804 1.00 10.00 H new ATOM 0 HD3 PRO A 101 11.877 -8.357 -7.833 1.00 10.00 H new ATOM 1170 N SER A 102 15.281 -9.542 -5.099 1.00 10.00 N ATOM 1171 CA SER A 102 16.330 -9.115 -4.189 1.00 10.00 C ATOM 1172 C SER A 102 17.137 -10.299 -3.665 1.00 10.00 C ATOM 1173 O SER A 102 16.749 -11.457 -3.836 1.00 10.00 O ATOM 1174 CB SER A 102 15.702 -8.339 -3.036 1.00 10.00 C ATOM 1175 OG SER A 102 14.353 -8.736 -2.832 1.00 10.00 O ATOM 0 H SER A 102 14.341 -9.470 -4.710 1.00 10.00 H new ATOM 0 HA SER A 102 17.023 -8.472 -4.731 1.00 10.00 H new ATOM 0 HB2 SER A 102 16.276 -8.506 -2.125 1.00 10.00 H new ATOM 0 HB3 SER A 102 15.743 -7.270 -3.247 1.00 10.00 H new ATOM 0 HG SER A 102 13.815 -7.954 -2.587 1.00 10.00 H new ATOM 1181 N SER A 103 18.272 -9.997 -3.048 1.00 10.00 N ATOM 1182 CA SER A 103 19.145 -11.015 -2.494 1.00 10.00 C ATOM 1183 C SER A 103 18.438 -11.803 -1.392 1.00 10.00 C ATOM 1184 O SER A 103 18.179 -11.280 -0.306 1.00 10.00 O ATOM 1185 CB SER A 103 20.415 -10.353 -1.953 1.00 10.00 C ATOM 1186 OG SER A 103 20.285 -8.936 -1.953 1.00 10.00 O ATOM 0 H SER A 103 18.609 -9.043 -2.920 1.00 10.00 H new ATOM 0 HA SER A 103 19.412 -11.719 -3.282 1.00 10.00 H new ATOM 0 HB2 SER A 103 20.611 -10.705 -0.940 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.270 -10.644 -2.563 1.00 10.00 H new ATOM 0 HG SER A 103 21.106 -8.532 -1.602 1.00 10.00 H new ATOM 1192 N GLY A 104 18.118 -13.054 -1.679 1.00 10.00 N ATOM 1193 CA GLY A 104 17.453 -13.886 -0.697 1.00 10.00 C ATOM 1194 C GLY A 104 15.941 -13.752 -0.747 1.00 10.00 C ATOM 1195 O GLY A 104 15.399 -12.645 -0.662 1.00 10.00 O ATOM 0 H GLY A 104 18.306 -13.509 -2.572 1.00 10.00 H new ATOM 0 HA2 GLY A 104 17.728 -14.928 -0.863 1.00 10.00 H new ATOM 0 HA3 GLY A 104 17.805 -13.618 0.299 1.00 10.00 H new