USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 7 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 178:sc= -1.63 (180deg=-1.67) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -3.16! C(o=-7.7!,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot -130:sc= -0.678 USER MOD Single : A 37 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-10!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -6.12! C(o=-7.8!,f=-6.1!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.737 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.836 F(o=-3.1!,f=-0.84) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.283 14.246 4.486 1.00 0.00 N ATOM 40 CA VAL A 4 2.492 13.167 5.067 1.00 0.00 C ATOM 41 C VAL A 4 2.669 11.872 4.277 1.00 0.00 C ATOM 42 O VAL A 4 2.161 11.743 3.164 1.00 0.00 O ATOM 43 CB VAL A 4 0.993 13.521 5.128 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.403 13.069 6.453 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.776 15.012 4.918 1.00 0.00 C ATOM 0 HA VAL A 4 2.857 13.026 6.084 1.00 0.00 H new ATOM 0 HB VAL A 4 0.481 12.995 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.656 13.324 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.520 11.990 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.922 13.568 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.290 15.235 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.298 15.569 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.164 15.302 3.942 1.00 0.00 H new ATOM 55 N VAL A 5 3.384 10.912 4.858 1.00 0.00 N ATOM 56 CA VAL A 5 3.620 9.633 4.192 1.00 0.00 C ATOM 57 C VAL A 5 2.809 8.510 4.839 1.00 0.00 C ATOM 58 O VAL A 5 3.057 8.137 5.985 1.00 0.00 O ATOM 59 CB VAL A 5 5.114 9.249 4.218 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.418 8.218 3.143 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.989 10.482 4.046 1.00 0.00 C ATOM 0 H VAL A 5 3.808 10.994 5.782 1.00 0.00 H new ATOM 0 HA VAL A 5 3.301 9.758 3.157 1.00 0.00 H new ATOM 0 HB VAL A 5 5.338 8.807 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.476 7.959 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.820 7.324 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.176 8.631 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.039 10.189 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.764 10.957 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.792 11.184 4.856 1.00 0.00 H new ATOM 71 N ALA A 6 1.847 7.967 4.093 1.00 0.00 N ATOM 72 CA ALA A 6 1.024 6.866 4.587 1.00 0.00 C ATOM 73 C ALA A 6 1.605 5.530 4.138 1.00 0.00 C ATOM 74 O ALA A 6 2.488 5.496 3.284 1.00 0.00 O ATOM 75 CB ALA A 6 -0.410 7.015 4.100 1.00 0.00 C ATOM 0 H ALA A 6 1.620 8.272 3.146 1.00 0.00 H new ATOM 0 HA ALA A 6 1.021 6.894 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.010 6.187 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.822 7.956 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.427 7.009 3.010 1.00 0.00 H new ATOM 81 N THR A 7 1.126 4.431 4.720 1.00 0.00 N ATOM 82 CA THR A 7 1.635 3.111 4.357 1.00 0.00 C ATOM 83 C THR A 7 0.536 2.046 4.351 1.00 0.00 C ATOM 84 O THR A 7 -0.224 1.892 5.320 1.00 0.00 O ATOM 85 CB THR A 7 2.764 2.699 5.295 1.00 0.00 C ATOM 86 OG1 THR A 7 3.675 3.768 5.484 1.00 0.00 O ATOM 87 CG2 THR A 7 3.549 1.507 4.792 1.00 0.00 C ATOM 0 H THR A 7 0.397 4.428 5.434 1.00 0.00 H new ATOM 0 HA THR A 7 2.021 3.185 3.340 1.00 0.00 H new ATOM 0 HB THR A 7 2.279 2.426 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.391 3.484 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.338 1.264 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.882 0.652 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.994 1.746 3.826 1.00 0.00 H new ATOM 95 N ILE A 8 0.507 1.286 3.257 1.00 0.00 N ATOM 96 CA ILE A 8 -0.485 0.238 3.042 1.00 0.00 C ATOM 97 C ILE A 8 0.198 -1.108 2.756 1.00 0.00 C ATOM 98 O ILE A 8 0.812 -1.285 1.706 1.00 0.00 O ATOM 99 CB ILE A 8 -1.392 0.618 1.853 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.834 2.085 1.974 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.582 -0.310 1.774 1.00 0.00 C ATOM 102 CD1 ILE A 8 -3.032 2.305 2.878 1.00 0.00 C ATOM 0 H ILE A 8 1.175 1.382 2.492 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.085 0.139 3.947 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.826 0.509 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.997 2.674 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.070 2.464 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.210 -0.026 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.236 -1.335 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.160 -0.240 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.276 3.367 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.885 1.746 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.796 1.960 3.885 1.00 0.00 H new ATOM 114 N LYS A 9 0.137 -2.033 3.719 1.00 0.00 N ATOM 115 CA LYS A 9 0.798 -3.340 3.583 1.00 0.00 C ATOM 116 C LYS A 9 -0.159 -4.421 3.085 1.00 0.00 C ATOM 117 O LYS A 9 -0.848 -5.061 3.874 1.00 0.00 O ATOM 118 CB LYS A 9 1.396 -3.776 4.915 1.00 0.00 C ATOM 119 CG LYS A 9 1.533 -2.652 5.933 1.00 0.00 C ATOM 120 CD LYS A 9 2.983 -2.291 6.182 1.00 0.00 C ATOM 121 CE LYS A 9 3.666 -3.304 7.087 1.00 0.00 C ATOM 122 NZ LYS A 9 3.396 -3.034 8.527 1.00 0.00 N ATOM 0 H LYS A 9 -0.361 -1.904 4.600 1.00 0.00 H new ATOM 0 HA LYS A 9 1.588 -3.218 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.773 -4.563 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.379 -4.210 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.996 -1.773 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.067 -2.953 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.513 -2.236 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.039 -1.301 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.321 -4.307 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.741 -3.283 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.879 -3.747 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.748 -2.087 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.372 -3.079 8.703 1.00 0.00 H new ATOM 136 N VAL A 10 -0.164 -4.646 1.783 1.00 0.00 N ATOM 137 CA VAL A 10 -1.075 -5.620 1.177 1.00 0.00 C ATOM 138 C VAL A 10 -0.425 -6.998 1.024 1.00 0.00 C ATOM 139 O VAL A 10 0.738 -7.106 0.641 1.00 0.00 O ATOM 140 CB VAL A 10 -1.601 -5.118 -0.196 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.327 -3.628 -0.364 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.008 -5.904 -1.358 1.00 0.00 C ATOM 0 H VAL A 10 0.449 -4.172 1.120 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.920 -5.725 1.857 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.678 -5.282 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.703 -3.296 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.828 -3.074 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.253 -3.447 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.404 -5.519 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.077 -5.800 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.272 -6.957 -1.258 1.00 0.00 H new ATOM 152 N MET A 11 -1.192 -8.050 1.322 1.00 0.00 N ATOM 153 CA MET A 11 -0.692 -9.419 1.205 1.00 0.00 C ATOM 154 C MET A 11 -1.802 -10.384 0.759 1.00 0.00 C ATOM 155 O MET A 11 -2.866 -10.460 1.382 1.00 0.00 O ATOM 156 CB MET A 11 -0.066 -9.881 2.532 1.00 0.00 C ATOM 157 CG MET A 11 -1.031 -10.570 3.489 1.00 0.00 C ATOM 158 SD MET A 11 -0.249 -11.888 4.436 1.00 0.00 S ATOM 159 CE MET A 11 -0.593 -13.307 3.398 1.00 0.00 C ATOM 0 H MET A 11 -2.157 -7.979 1.645 1.00 0.00 H new ATOM 0 HA MET A 11 0.081 -9.429 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.755 -10.564 2.312 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.366 -9.015 3.034 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.445 -9.831 4.175 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.866 -10.982 2.922 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.140 -14.196 3.836 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.671 -13.449 3.322 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.178 -13.140 2.404 1.00 0.00 H new ATOM 169 N PRO A 12 -1.563 -11.134 -0.337 1.00 0.00 N ATOM 170 CA PRO A 12 -2.529 -12.101 -0.875 1.00 0.00 C ATOM 171 C PRO A 12 -2.664 -13.332 0.015 1.00 0.00 C ATOM 172 O PRO A 12 -1.682 -14.023 0.288 1.00 0.00 O ATOM 173 CB PRO A 12 -1.940 -12.494 -2.241 1.00 0.00 C ATOM 174 CG PRO A 12 -0.837 -11.522 -2.495 1.00 0.00 C ATOM 175 CD PRO A 12 -0.342 -11.098 -1.145 1.00 0.00 C ATOM 0 HA PRO A 12 -3.530 -11.676 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.565 -13.518 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.697 -12.442 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.038 -11.982 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.195 -10.666 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.420 -11.776 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.100 -10.102 -1.169 1.00 0.00 H new ATOM 183 N GLU A 13 -3.883 -13.591 0.474 1.00 0.00 N ATOM 184 CA GLU A 13 -4.153 -14.735 1.339 1.00 0.00 C ATOM 185 C GLU A 13 -3.734 -16.042 0.677 1.00 0.00 C ATOM 186 O GLU A 13 -3.342 -16.993 1.355 1.00 0.00 O ATOM 187 CB GLU A 13 -5.639 -14.789 1.700 1.00 0.00 C ATOM 188 CG GLU A 13 -5.915 -14.541 3.174 1.00 0.00 C ATOM 189 CD GLU A 13 -7.393 -14.381 3.471 1.00 0.00 C ATOM 190 OE1 GLU A 13 -8.190 -15.209 2.982 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.754 -13.427 4.192 1.00 0.00 O ATOM 0 H GLU A 13 -4.703 -13.023 0.261 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.565 -14.610 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.176 -14.047 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.037 -15.766 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.518 -15.371 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.385 -13.644 3.493 1.00 0.00 H new ATOM 198 N SER A 14 -3.844 -16.097 -0.645 1.00 0.00 N ATOM 199 CA SER A 14 -3.486 -17.297 -1.390 1.00 0.00 C ATOM 200 C SER A 14 -1.973 -17.412 -1.551 1.00 0.00 C ATOM 201 O SER A 14 -1.266 -16.404 -1.565 1.00 0.00 O ATOM 202 CB SER A 14 -4.162 -17.290 -2.763 1.00 0.00 C ATOM 203 OG SER A 14 -5.271 -18.174 -2.791 1.00 0.00 O ATOM 0 H SER A 14 -4.178 -15.325 -1.222 1.00 0.00 H new ATOM 0 HA SER A 14 -3.835 -18.162 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.492 -16.280 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.442 -17.581 -3.528 1.00 0.00 H new ATOM 0 HG SER A 14 -5.686 -18.150 -3.678 1.00 0.00 H new ATOM 209 N PRO A 15 -1.452 -18.647 -1.684 1.00 0.00 N ATOM 210 CA PRO A 15 -0.014 -18.879 -1.849 1.00 0.00 C ATOM 211 C PRO A 15 0.506 -18.351 -3.183 1.00 0.00 C ATOM 212 O PRO A 15 1.701 -18.422 -3.468 1.00 0.00 O ATOM 213 CB PRO A 15 0.118 -20.403 -1.787 1.00 0.00 C ATOM 214 CG PRO A 15 -1.223 -20.916 -2.186 1.00 0.00 C ATOM 215 CD PRO A 15 -2.217 -19.908 -1.682 1.00 0.00 C ATOM 0 HA PRO A 15 0.570 -18.361 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.896 -20.761 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.387 -20.737 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.293 -21.026 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.410 -21.899 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.093 -19.848 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.575 -20.160 -0.684 1.00 0.00 H new ATOM 223 N ASP A 16 -0.408 -17.840 -4.000 1.00 0.00 N ATOM 224 CA ASP A 16 -0.051 -17.271 -5.291 1.00 0.00 C ATOM 225 C ASP A 16 0.225 -15.782 -5.143 1.00 0.00 C ATOM 226 O ASP A 16 -0.225 -14.970 -5.951 1.00 0.00 O ATOM 227 CB ASP A 16 -1.172 -17.503 -6.306 1.00 0.00 C ATOM 228 CG ASP A 16 -1.097 -18.873 -6.952 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.221 -19.072 -7.820 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.912 -19.747 -6.587 1.00 0.00 O ATOM 0 H ASP A 16 -1.405 -17.809 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 16 0.851 -17.764 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.136 -17.391 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.121 -16.737 -7.080 1.00 0.00 H new ATOM 235 N VAL A 17 0.961 -15.440 -4.092 1.00 0.00 N ATOM 236 CA VAL A 17 1.293 -14.051 -3.793 1.00 0.00 C ATOM 237 C VAL A 17 2.195 -13.447 -4.875 1.00 0.00 C ATOM 238 O VAL A 17 3.402 -13.299 -4.684 1.00 0.00 O ATOM 239 CB VAL A 17 1.992 -13.933 -2.419 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.439 -12.504 -2.144 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.070 -14.424 -1.315 1.00 0.00 C ATOM 0 H VAL A 17 1.343 -16.112 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 17 0.355 -13.496 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 17 2.883 -14.561 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.926 -12.456 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.140 -12.187 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.571 -11.844 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.575 -14.335 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.162 -13.822 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.811 -15.468 -1.494 1.00 0.00 H new ATOM 251 N ASP A 18 1.605 -13.133 -6.024 1.00 0.00 N ATOM 252 CA ASP A 18 2.343 -12.512 -7.117 1.00 0.00 C ATOM 253 C ASP A 18 2.701 -11.077 -6.752 1.00 0.00 C ATOM 254 O ASP A 18 1.873 -10.179 -6.870 1.00 0.00 O ATOM 255 CB ASP A 18 1.518 -12.537 -8.405 1.00 0.00 C ATOM 256 CG ASP A 18 1.507 -13.904 -9.061 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.429 -14.702 -8.790 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.575 -14.177 -9.848 1.00 0.00 O ATOM 0 H ASP A 18 0.618 -13.299 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 18 3.260 -13.077 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.494 -12.236 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.921 -11.805 -9.105 1.00 0.00 H new ATOM 263 N LEU A 19 3.911 -10.880 -6.241 1.00 0.00 N ATOM 264 CA LEU A 19 4.356 -9.557 -5.820 1.00 0.00 C ATOM 265 C LEU A 19 4.439 -8.594 -6.999 1.00 0.00 C ATOM 266 O LEU A 19 3.960 -7.466 -6.915 1.00 0.00 O ATOM 267 CB LEU A 19 5.710 -9.646 -5.101 1.00 0.00 C ATOM 268 CG LEU A 19 6.942 -9.682 -6.011 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.577 -8.302 -6.101 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.951 -10.701 -5.504 1.00 0.00 C ATOM 0 H LEU A 19 4.601 -11.619 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 19 3.615 -9.165 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.801 -8.792 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.713 -10.542 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 19 6.624 -9.982 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.451 -8.345 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.855 -7.595 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.881 -7.976 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.819 -10.712 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.265 -10.432 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.493 -11.690 -5.490 1.00 0.00 H new ATOM 282 N GLU A 20 4.987 -9.063 -8.117 1.00 0.00 N ATOM 283 CA GLU A 20 5.139 -8.217 -9.294 1.00 0.00 C ATOM 284 C GLU A 20 3.785 -7.889 -9.887 1.00 0.00 C ATOM 285 O GLU A 20 3.545 -6.764 -10.322 1.00 0.00 O ATOM 286 CB GLU A 20 6.018 -8.909 -10.339 1.00 0.00 C ATOM 287 CG GLU A 20 6.140 -8.136 -11.643 1.00 0.00 C ATOM 288 CD GLU A 20 7.116 -6.979 -11.547 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.741 -5.933 -10.977 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.254 -7.120 -12.040 1.00 0.00 O ATOM 0 H GLU A 20 5.330 -10.017 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 20 5.622 -7.288 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.014 -9.059 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.608 -9.897 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.462 -8.814 -12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.159 -7.756 -11.929 1.00 0.00 H new ATOM 297 N ALA A 21 2.889 -8.861 -9.872 1.00 0.00 N ATOM 298 CA ALA A 21 1.545 -8.629 -10.363 1.00 0.00 C ATOM 299 C ALA A 21 0.804 -7.703 -9.416 1.00 0.00 C ATOM 300 O ALA A 21 0.059 -6.822 -9.836 1.00 0.00 O ATOM 301 CB ALA A 21 0.796 -9.941 -10.537 1.00 0.00 C ATOM 0 H ALA A 21 3.066 -9.806 -9.530 1.00 0.00 H new ATOM 0 HA ALA A 21 1.607 -8.153 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.210 -9.740 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.326 -10.570 -11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.734 -10.455 -9.578 1.00 0.00 H new ATOM 307 N LEU A 22 1.017 -7.912 -8.130 1.00 0.00 N ATOM 308 CA LEU A 22 0.409 -7.072 -7.116 1.00 0.00 C ATOM 309 C LEU A 22 0.992 -5.673 -7.182 1.00 0.00 C ATOM 310 O LEU A 22 0.322 -4.691 -6.873 1.00 0.00 O ATOM 311 CB LEU A 22 0.636 -7.673 -5.730 1.00 0.00 C ATOM 312 CG LEU A 22 -0.631 -7.877 -4.899 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.274 -8.373 -3.508 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.439 -6.590 -4.821 1.00 0.00 C ATOM 0 H LEU A 22 1.608 -8.658 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.664 -7.015 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.136 -8.635 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.315 -7.025 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.247 -8.632 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.185 -8.514 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.258 -9.321 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.362 -7.640 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.336 -6.759 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.836 -5.810 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.725 -6.278 -5.826 1.00 0.00 H new ATOM 326 N LYS A 23 2.250 -5.602 -7.594 1.00 0.00 N ATOM 327 CA LYS A 23 2.958 -4.338 -7.703 1.00 0.00 C ATOM 328 C LYS A 23 2.215 -3.382 -8.618 1.00 0.00 C ATOM 329 O LYS A 23 2.051 -2.202 -8.303 1.00 0.00 O ATOM 330 CB LYS A 23 4.370 -4.580 -8.238 1.00 0.00 C ATOM 331 CG LYS A 23 5.466 -4.263 -7.234 1.00 0.00 C ATOM 332 CD LYS A 23 6.587 -3.457 -7.867 1.00 0.00 C ATOM 333 CE LYS A 23 7.934 -4.136 -7.679 1.00 0.00 C ATOM 334 NZ LYS A 23 8.915 -3.245 -7.000 1.00 0.00 N ATOM 0 H LYS A 23 2.805 -6.415 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 23 3.018 -3.888 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.460 -5.622 -8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.520 -3.972 -9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.044 -3.706 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.868 -5.191 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.388 -3.328 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.615 -2.461 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.803 -5.046 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.328 -4.436 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.820 -3.745 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.059 -2.388 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.551 -2.979 -6.063 1.00 0.00 H new ATOM 348 N LYS A 24 1.797 -3.888 -9.769 1.00 0.00 N ATOM 349 CA LYS A 24 1.065 -3.081 -10.729 1.00 0.00 C ATOM 350 C LYS A 24 -0.317 -2.746 -10.200 1.00 0.00 C ATOM 351 O LYS A 24 -0.802 -1.625 -10.357 1.00 0.00 O ATOM 352 CB LYS A 24 0.965 -3.819 -12.060 1.00 0.00 C ATOM 353 CG LYS A 24 0.190 -5.119 -11.994 1.00 0.00 C ATOM 354 CD LYS A 24 -0.287 -5.553 -13.369 1.00 0.00 C ATOM 355 CE LYS A 24 0.591 -6.655 -13.938 1.00 0.00 C ATOM 356 NZ LYS A 24 1.503 -6.146 -14.999 1.00 0.00 N ATOM 0 H LYS A 24 1.953 -4.853 -10.059 1.00 0.00 H new ATOM 0 HA LYS A 24 1.604 -2.147 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.491 -3.164 -12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.971 -4.027 -12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.820 -5.898 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.667 -5.000 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.317 -5.903 -13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.283 -4.697 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.180 -7.100 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.038 -7.445 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.085 -6.928 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.941 -5.744 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.121 -5.410 -14.602 1.00 0.00 H new ATOM 370 N GLU A 25 -0.942 -3.728 -9.566 1.00 0.00 N ATOM 371 CA GLU A 25 -2.270 -3.538 -8.994 1.00 0.00 C ATOM 372 C GLU A 25 -2.212 -2.522 -7.862 1.00 0.00 C ATOM 373 O GLU A 25 -3.192 -1.833 -7.573 1.00 0.00 O ATOM 374 CB GLU A 25 -2.826 -4.869 -8.482 1.00 0.00 C ATOM 375 CG GLU A 25 -3.458 -5.721 -9.570 1.00 0.00 C ATOM 376 CD GLU A 25 -4.858 -6.181 -9.212 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.772 -5.331 -9.178 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.040 -7.393 -8.967 1.00 0.00 O ATOM 0 H GLU A 25 -0.554 -4.662 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.934 -3.161 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.021 -5.433 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.569 -4.670 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.493 -5.151 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.830 -6.592 -9.755 1.00 0.00 H new ATOM 385 N ILE A 26 -1.052 -2.446 -7.226 1.00 0.00 N ATOM 386 CA ILE A 26 -0.830 -1.526 -6.123 1.00 0.00 C ATOM 387 C ILE A 26 -0.975 -0.072 -6.573 1.00 0.00 C ATOM 388 O ILE A 26 -1.610 0.735 -5.894 1.00 0.00 O ATOM 389 CB ILE A 26 0.565 -1.752 -5.498 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.446 -2.644 -4.261 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.234 -0.432 -5.140 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.551 -3.673 -4.151 1.00 0.00 C ATOM 0 H ILE A 26 -0.241 -3.019 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.591 -1.726 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 26 1.191 -2.250 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.453 -2.018 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.516 -3.156 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.213 -0.627 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.352 0.172 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.616 0.106 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.404 -4.270 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.531 -4.323 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.515 -3.167 -4.097 1.00 0.00 H new ATOM 404 N GLN A 27 -0.345 0.268 -7.691 1.00 0.00 N ATOM 405 CA GLN A 27 -0.405 1.630 -8.207 1.00 0.00 C ATOM 406 C GLN A 27 -1.837 2.008 -8.566 1.00 0.00 C ATOM 407 O GLN A 27 -2.229 3.171 -8.458 1.00 0.00 O ATOM 408 CB GLN A 27 0.507 1.778 -9.426 1.00 0.00 C ATOM 409 CG GLN A 27 1.887 1.174 -9.227 1.00 0.00 C ATOM 410 CD GLN A 27 2.757 1.985 -8.292 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.549 1.816 -6.996 1.00 0.00 O flip ATOM 412 NE2 GLN A 27 3.615 2.751 -8.732 1.00 0.00 N flip ATOM 0 H GLN A 27 0.210 -0.376 -8.255 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.058 2.308 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.032 1.304 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.613 2.836 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.782 0.164 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.383 1.088 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.741 2.851 -9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.199 3.286 -8.089 1.00 0.00 H new ATOM 421 N GLU A 28 -2.615 1.018 -8.990 1.00 0.00 N ATOM 422 CA GLU A 28 -4.008 1.242 -9.357 1.00 0.00 C ATOM 423 C GLU A 28 -4.876 1.436 -8.117 1.00 0.00 C ATOM 424 O GLU A 28 -5.933 2.063 -8.182 1.00 0.00 O ATOM 425 CB GLU A 28 -4.536 0.066 -10.181 1.00 0.00 C ATOM 426 CG GLU A 28 -3.554 -0.431 -11.230 1.00 0.00 C ATOM 427 CD GLU A 28 -3.441 0.505 -12.417 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.494 0.946 -12.926 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.302 0.797 -12.838 1.00 0.00 O ATOM 0 H GLU A 28 -2.304 0.052 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.056 2.150 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.784 -0.756 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.461 0.365 -10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.572 -0.552 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.868 -1.415 -11.578 1.00 0.00 H new ATOM 436 N ARG A 29 -4.426 0.893 -6.989 1.00 0.00 N ATOM 437 CA ARG A 29 -5.178 0.996 -5.744 1.00 0.00 C ATOM 438 C ARG A 29 -4.811 2.266 -4.976 1.00 0.00 C ATOM 439 O ARG A 29 -5.524 2.672 -4.059 1.00 0.00 O ATOM 440 CB ARG A 29 -4.948 -0.247 -4.875 1.00 0.00 C ATOM 441 CG ARG A 29 -3.655 -0.218 -4.075 1.00 0.00 C ATOM 442 CD ARG A 29 -3.815 -0.906 -2.726 1.00 0.00 C ATOM 443 NE ARG A 29 -3.505 -0.005 -1.623 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.312 0.978 -1.233 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.468 1.177 -1.850 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.966 1.762 -0.226 1.00 0.00 N ATOM 0 H ARG A 29 -3.548 0.379 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.237 1.055 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.786 -0.355 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.946 -1.129 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.864 -0.708 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.344 0.815 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.837 -1.271 -2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.160 -1.776 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.624 -0.135 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.742 0.575 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.084 1.932 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.078 1.614 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.587 2.515 0.071 1.00 0.00 H new ATOM 460 N ILE A 30 -3.705 2.899 -5.365 1.00 0.00 N ATOM 461 CA ILE A 30 -3.264 4.134 -4.717 1.00 0.00 C ATOM 462 C ILE A 30 -4.352 5.205 -4.797 1.00 0.00 C ATOM 463 O ILE A 30 -4.975 5.383 -5.844 1.00 0.00 O ATOM 464 CB ILE A 30 -1.970 4.686 -5.359 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.786 3.754 -5.087 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.669 6.090 -4.848 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.569 3.444 -3.620 1.00 0.00 C ATOM 0 H ILE A 30 -3.100 2.579 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.062 3.890 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.126 4.738 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.941 2.819 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.120 4.207 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.755 6.458 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.496 6.754 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.541 6.064 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.287 2.778 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.380 4.370 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.458 2.960 -3.215 1.00 0.00 H new ATOM 479 N PRO A 31 -4.586 5.944 -3.694 1.00 0.00 N ATOM 480 CA PRO A 31 -5.584 7.013 -3.651 1.00 0.00 C ATOM 481 C PRO A 31 -5.508 7.922 -4.876 1.00 0.00 C ATOM 482 O PRO A 31 -4.463 8.505 -5.166 1.00 0.00 O ATOM 483 CB PRO A 31 -5.232 7.796 -2.375 1.00 0.00 C ATOM 484 CG PRO A 31 -3.946 7.218 -1.880 1.00 0.00 C ATOM 485 CD PRO A 31 -3.896 5.816 -2.406 1.00 0.00 C ATOM 0 HA PRO A 31 -6.600 6.618 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.126 8.860 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.018 7.697 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.095 7.799 -2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.907 7.228 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.872 5.462 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.400 5.114 -1.742 1.00 0.00 H new ATOM 493 N GLU A 32 -6.621 8.017 -5.600 1.00 0.00 N ATOM 494 CA GLU A 32 -6.694 8.833 -6.810 1.00 0.00 C ATOM 495 C GLU A 32 -6.337 10.294 -6.539 1.00 0.00 C ATOM 496 O GLU A 32 -6.259 11.101 -7.466 1.00 0.00 O ATOM 497 CB GLU A 32 -8.097 8.749 -7.416 1.00 0.00 C ATOM 498 CG GLU A 32 -8.165 7.895 -8.672 1.00 0.00 C ATOM 499 CD GLU A 32 -9.554 7.858 -9.279 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.416 7.133 -8.742 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.777 8.553 -10.293 1.00 0.00 O ATOM 0 H GLU A 32 -7.490 7.536 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.962 8.437 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.782 8.342 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.443 9.755 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.461 8.282 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.850 6.879 -8.433 1.00 0.00 H new ATOM 508 N GLY A 33 -6.117 10.633 -5.272 1.00 0.00 N ATOM 509 CA GLY A 33 -5.785 12.001 -4.920 1.00 0.00 C ATOM 510 C GLY A 33 -4.311 12.311 -5.099 1.00 0.00 C ATOM 511 O GLY A 33 -3.952 13.383 -5.584 1.00 0.00 O ATOM 0 H GLY A 33 -6.163 9.986 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.373 12.683 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.067 12.184 -3.883 1.00 0.00 H new ATOM 515 N THR A 34 -3.455 11.372 -4.706 1.00 0.00 N ATOM 516 CA THR A 34 -2.013 11.560 -4.823 1.00 0.00 C ATOM 517 C THR A 34 -1.351 10.356 -5.495 1.00 0.00 C ATOM 518 O THR A 34 -1.941 9.722 -6.369 1.00 0.00 O ATOM 519 CB THR A 34 -1.400 11.802 -3.443 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.410 12.050 -2.483 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.436 12.969 -3.412 1.00 0.00 C ATOM 0 H THR A 34 -3.734 10.476 -4.305 1.00 0.00 H new ATOM 0 HA THR A 34 -1.835 12.434 -5.449 1.00 0.00 H new ATOM 0 HB THR A 34 -0.848 10.892 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.189 12.860 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.038 13.085 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.383 12.783 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.958 13.880 -3.703 1.00 0.00 H new ATOM 529 N GLU A 35 -0.123 10.050 -5.083 1.00 0.00 N ATOM 530 CA GLU A 35 0.624 8.938 -5.659 1.00 0.00 C ATOM 531 C GLU A 35 1.363 8.156 -4.583 1.00 0.00 C ATOM 532 O GLU A 35 1.335 8.509 -3.405 1.00 0.00 O ATOM 533 CB GLU A 35 1.616 9.455 -6.702 1.00 0.00 C ATOM 534 CG GLU A 35 2.853 10.106 -6.101 1.00 0.00 C ATOM 535 CD GLU A 35 3.670 10.862 -7.129 1.00 0.00 C ATOM 536 OE1 GLU A 35 4.565 10.245 -7.747 1.00 0.00 O ATOM 537 OE2 GLU A 35 3.419 12.071 -7.316 1.00 0.00 O ATOM 0 H GLU A 35 0.375 10.558 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.088 8.267 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.926 8.626 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.111 10.178 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.550 10.790 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.475 9.339 -5.640 1.00 0.00 H new ATOM 544 N LEU A 36 2.030 7.095 -5.010 1.00 0.00 N ATOM 545 CA LEU A 36 2.773 6.235 -4.096 1.00 0.00 C ATOM 546 C LEU A 36 4.075 6.895 -3.642 1.00 0.00 C ATOM 547 O LEU A 36 4.358 8.042 -3.988 1.00 0.00 O ATOM 548 CB LEU A 36 3.071 4.868 -4.743 1.00 0.00 C ATOM 549 CG LEU A 36 3.354 4.861 -6.258 1.00 0.00 C ATOM 550 CD1 LEU A 36 2.053 4.868 -7.052 1.00 0.00 C ATOM 551 CD2 LEU A 36 4.240 6.030 -6.666 1.00 0.00 C ATOM 0 H LEU A 36 2.073 6.806 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 36 2.146 6.077 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.932 4.433 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.223 4.211 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 36 3.893 3.942 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.278 4.863 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.468 3.983 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.481 5.763 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.419 5.993 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.745 6.967 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.191 5.967 -6.138 1.00 0.00 H new ATOM 563 N HIS A 37 4.839 6.168 -2.833 1.00 0.00 N ATOM 564 CA HIS A 37 6.104 6.661 -2.299 1.00 0.00 C ATOM 565 C HIS A 37 7.205 5.633 -2.494 1.00 0.00 C ATOM 566 O HIS A 37 8.087 5.791 -3.339 1.00 0.00 O ATOM 567 CB HIS A 37 5.955 6.957 -0.808 1.00 0.00 C ATOM 568 CG HIS A 37 7.195 7.498 -0.169 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.501 8.837 -0.209 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.163 6.844 0.516 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.643 8.968 0.442 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.082 7.786 0.899 1.00 0.00 N ATOM 0 H HIS A 37 4.600 5.224 -2.530 1.00 0.00 H new ATOM 0 HA HIS A 37 6.370 7.573 -2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.145 7.673 -0.669 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.663 6.041 -0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.203 5.784 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.157 9.907 0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.937 7.620 1.430 1.00 0.00 H new ATOM 580 N LYS A 38 7.108 4.558 -1.723 1.00 0.00 N ATOM 581 CA LYS A 38 8.085 3.478 -1.760 1.00 0.00 C ATOM 582 C LYS A 38 7.497 2.219 -1.135 1.00 0.00 C ATOM 583 O LYS A 38 7.014 2.244 -0.003 1.00 0.00 O ATOM 584 CB LYS A 38 9.352 3.877 -0.998 1.00 0.00 C ATOM 585 CG LYS A 38 10.332 4.704 -1.815 1.00 0.00 C ATOM 586 CD LYS A 38 10.887 3.914 -2.990 1.00 0.00 C ATOM 587 CE LYS A 38 12.328 4.299 -3.287 1.00 0.00 C ATOM 588 NZ LYS A 38 12.455 5.017 -4.585 1.00 0.00 N ATOM 0 H LYS A 38 6.351 4.410 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 38 8.341 3.282 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.067 4.443 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.855 2.974 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.834 5.602 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.152 5.033 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.831 2.847 -2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.272 4.091 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.708 4.931 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.947 3.402 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.452 5.262 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.117 4.405 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.885 5.887 -4.558 1.00 0.00 H new ATOM 602 N ILE A 39 7.520 1.125 -1.887 1.00 0.00 N ATOM 603 CA ILE A 39 6.952 -0.133 -1.420 1.00 0.00 C ATOM 604 C ILE A 39 7.997 -1.003 -0.724 1.00 0.00 C ATOM 605 O ILE A 39 9.200 -0.804 -0.895 1.00 0.00 O ATOM 606 CB ILE A 39 6.314 -0.919 -2.577 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.538 0.040 -3.488 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.403 -2.007 -2.028 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.572 -0.644 -4.431 1.00 0.00 C ATOM 0 H ILE A 39 7.926 1.084 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 39 6.179 0.122 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 39 7.096 -1.397 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.985 0.745 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.249 0.622 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.956 -2.558 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.984 -2.690 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.616 -1.553 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.065 0.105 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.119 -1.328 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.835 -1.203 -3.854 1.00 0.00 H new ATOM 621 N ASP A 40 7.523 -1.957 0.076 1.00 0.00 N ATOM 622 CA ASP A 40 8.405 -2.839 0.833 1.00 0.00 C ATOM 623 C ASP A 40 8.045 -4.305 0.631 1.00 0.00 C ATOM 624 O ASP A 40 6.918 -4.715 0.897 1.00 0.00 O ATOM 625 CB ASP A 40 8.311 -2.509 2.319 1.00 0.00 C ATOM 626 CG ASP A 40 9.666 -2.492 3.000 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.512 -1.657 2.619 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.880 -3.314 3.916 1.00 0.00 O ATOM 0 H ASP A 40 6.529 -2.138 0.216 1.00 0.00 H new ATOM 0 HA ASP A 40 9.420 -2.680 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.835 -1.536 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.671 -3.242 2.810 1.00 0.00 H new ATOM 633 N GLU A 41 9.020 -5.100 0.210 1.00 0.00 N ATOM 634 CA GLU A 41 8.807 -6.530 0.020 1.00 0.00 C ATOM 635 C GLU A 41 9.010 -7.282 1.335 1.00 0.00 C ATOM 636 O GLU A 41 10.015 -7.968 1.521 1.00 0.00 O ATOM 637 CB GLU A 41 9.755 -7.069 -1.049 1.00 0.00 C ATOM 638 CG GLU A 41 11.166 -6.526 -0.926 1.00 0.00 C ATOM 639 CD GLU A 41 12.187 -7.384 -1.647 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.953 -7.722 -2.826 1.00 0.00 O ATOM 641 OE2 GLU A 41 13.221 -7.719 -1.031 1.00 0.00 O ATOM 0 H GLU A 41 9.964 -4.781 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 41 7.780 -6.685 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.784 -8.157 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.361 -6.819 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.198 -5.514 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.434 -6.458 0.128 1.00 0.00 H new ATOM 648 N GLU A 42 8.062 -7.121 2.255 1.00 0.00 N ATOM 649 CA GLU A 42 8.134 -7.778 3.556 1.00 0.00 C ATOM 650 C GLU A 42 7.289 -9.048 3.564 1.00 0.00 C ATOM 651 O GLU A 42 6.159 -9.042 3.086 1.00 0.00 O ATOM 652 CB GLU A 42 7.659 -6.828 4.657 1.00 0.00 C ATOM 653 CG GLU A 42 8.778 -6.337 5.560 1.00 0.00 C ATOM 654 CD GLU A 42 8.328 -6.139 6.994 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.851 -5.032 7.320 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.452 -7.093 7.793 1.00 0.00 O ATOM 0 H GLU A 42 7.234 -6.540 2.123 1.00 0.00 H new ATOM 0 HA GLU A 42 9.173 -8.049 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.170 -5.969 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.909 -7.335 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.599 -7.054 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.166 -5.395 5.172 1.00 0.00 H new ATOM 663 N PRO A 43 7.825 -10.159 4.100 1.00 0.00 N ATOM 664 CA PRO A 43 7.117 -11.431 4.139 1.00 0.00 C ATOM 665 C PRO A 43 6.223 -11.570 5.361 1.00 0.00 C ATOM 666 O PRO A 43 6.444 -10.925 6.386 1.00 0.00 O ATOM 667 CB PRO A 43 8.246 -12.457 4.168 1.00 0.00 C ATOM 668 CG PRO A 43 9.420 -11.754 4.779 1.00 0.00 C ATOM 669 CD PRO A 43 9.164 -10.265 4.694 1.00 0.00 C ATOM 0 HA PRO A 43 6.439 -11.547 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.965 -13.331 4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.480 -12.809 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.551 -12.060 5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.338 -12.014 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.200 -9.799 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.913 -9.767 4.078 1.00 0.00 H new ATOM 677 N ILE A 44 5.197 -12.403 5.231 1.00 0.00 N ATOM 678 CA ILE A 44 4.230 -12.605 6.302 1.00 0.00 C ATOM 679 C ILE A 44 4.126 -14.078 6.688 1.00 0.00 C ATOM 680 O ILE A 44 4.743 -14.519 7.658 1.00 0.00 O ATOM 681 CB ILE A 44 2.839 -12.090 5.886 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.980 -10.880 4.952 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.014 -11.735 7.114 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.632 -9.675 5.601 1.00 0.00 C ATOM 0 H ILE A 44 5.013 -12.951 4.391 1.00 0.00 H new ATOM 0 HA ILE A 44 4.583 -12.040 7.165 1.00 0.00 H new ATOM 0 HB ILE A 44 2.318 -12.881 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.566 -11.172 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.992 -10.595 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.034 -11.373 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.892 -12.620 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.524 -10.957 7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.696 -8.862 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.036 -9.355 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.634 -9.941 5.937 1.00 0.00 H new ATOM 696 N ALA A 45 3.332 -14.830 5.930 1.00 0.00 N ATOM 697 CA ALA A 45 3.145 -16.253 6.190 1.00 0.00 C ATOM 698 C ALA A 45 4.433 -17.032 5.931 1.00 0.00 C ATOM 699 O ALA A 45 5.531 -16.484 6.030 1.00 0.00 O ATOM 700 CB ALA A 45 2.007 -16.798 5.340 1.00 0.00 C ATOM 0 H ALA A 45 2.808 -14.476 5.130 1.00 0.00 H new ATOM 0 HA ALA A 45 2.886 -16.377 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.878 -17.861 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.086 -16.268 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.241 -16.656 4.285 1.00 0.00 H new ATOM 706 N PHE A 46 4.295 -18.311 5.590 1.00 0.00 N ATOM 707 CA PHE A 46 5.452 -19.154 5.311 1.00 0.00 C ATOM 708 C PHE A 46 6.091 -18.765 3.983 1.00 0.00 C ATOM 709 O PHE A 46 7.295 -18.932 3.790 1.00 0.00 O ATOM 710 CB PHE A 46 5.046 -20.629 5.283 1.00 0.00 C ATOM 711 CG PHE A 46 4.359 -21.090 6.537 1.00 0.00 C ATOM 712 CD1 PHE A 46 5.042 -21.135 7.741 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.030 -21.484 6.507 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.411 -21.561 8.895 1.00 0.00 C ATOM 715 CE2 PHE A 46 2.395 -21.912 7.658 1.00 0.00 C ATOM 716 CZ PHE A 46 3.086 -21.949 8.854 1.00 0.00 C ATOM 0 H PHE A 46 3.396 -18.784 5.501 1.00 0.00 H new ATOM 0 HA PHE A 46 6.181 -19.005 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.384 -20.799 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.935 -21.238 5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.079 -20.834 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.485 -21.456 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.954 -21.590 9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.360 -22.217 7.622 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.591 -22.281 9.755 1.00 0.00 H new ATOM 726 N GLY A 47 5.278 -18.230 3.079 1.00 0.00 N ATOM 727 CA GLY A 47 5.780 -17.822 1.780 1.00 0.00 C ATOM 728 C GLY A 47 4.987 -16.679 1.171 1.00 0.00 C ATOM 729 O GLY A 47 5.228 -16.291 0.028 1.00 0.00 O ATOM 0 H GLY A 47 4.281 -18.072 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.823 -17.522 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.756 -18.676 1.103 1.00 0.00 H new ATOM 733 N LEU A 48 4.032 -16.143 1.929 1.00 0.00 N ATOM 734 CA LEU A 48 3.208 -15.038 1.451 1.00 0.00 C ATOM 735 C LEU A 48 3.815 -13.697 1.849 1.00 0.00 C ATOM 736 O LEU A 48 3.674 -13.255 2.990 1.00 0.00 O ATOM 737 CB LEU A 48 1.782 -15.153 2.002 1.00 0.00 C ATOM 738 CG LEU A 48 1.157 -16.553 1.948 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.360 -16.465 2.067 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.546 -17.278 0.669 1.00 0.00 C ATOM 0 H LEU A 48 3.811 -16.456 2.874 1.00 0.00 H new ATOM 0 HA LEU A 48 3.170 -15.092 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.785 -14.817 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.142 -14.468 1.446 1.00 0.00 H new ATOM 0 HG LEU A 48 1.542 -17.125 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.787 -17.467 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.624 -15.996 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.756 -15.869 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.089 -18.267 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.198 -16.708 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.630 -17.379 0.623 1.00 0.00 H new ATOM 752 N VAL A 49 4.479 -13.048 0.897 1.00 0.00 N ATOM 753 CA VAL A 49 5.128 -11.768 1.152 1.00 0.00 C ATOM 754 C VAL A 49 4.219 -10.593 0.804 1.00 0.00 C ATOM 755 O VAL A 49 3.709 -10.495 -0.312 1.00 0.00 O ATOM 756 CB VAL A 49 6.440 -11.640 0.349 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.058 -10.260 0.527 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.423 -12.727 0.757 1.00 0.00 C ATOM 0 H VAL A 49 4.581 -13.389 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 49 5.349 -11.739 2.219 1.00 0.00 H new ATOM 0 HB VAL A 49 6.204 -11.767 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.981 -10.198 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.359 -9.500 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.277 -10.093 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.342 -12.621 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.648 -12.634 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.984 -13.706 0.564 1.00 0.00 H new ATOM 768 N ALA A 50 4.085 -9.666 1.747 1.00 0.00 N ATOM 769 CA ALA A 50 3.268 -8.477 1.549 1.00 0.00 C ATOM 770 C ALA A 50 4.116 -7.304 1.079 1.00 0.00 C ATOM 771 O ALA A 50 5.339 -7.311 1.212 1.00 0.00 O ATOM 772 CB ALA A 50 2.556 -8.097 2.836 1.00 0.00 C ATOM 0 H ALA A 50 4.535 -9.717 2.661 1.00 0.00 H new ATOM 0 HA ALA A 50 2.529 -8.709 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.951 -7.206 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.913 -8.918 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.293 -7.893 3.613 1.00 0.00 H new ATOM 778 N LEU A 51 3.449 -6.295 0.538 1.00 0.00 N ATOM 779 CA LEU A 51 4.123 -5.104 0.053 1.00 0.00 C ATOM 780 C LEU A 51 3.615 -3.870 0.786 1.00 0.00 C ATOM 781 O LEU A 51 2.425 -3.557 0.744 1.00 0.00 O ATOM 782 CB LEU A 51 3.898 -4.951 -1.453 1.00 0.00 C ATOM 783 CG LEU A 51 4.873 -5.733 -2.338 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.724 -7.229 -2.106 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.651 -5.394 -3.804 1.00 0.00 C ATOM 0 H LEU A 51 2.435 -6.280 0.424 1.00 0.00 H new ATOM 0 HA LEU A 51 5.191 -5.206 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.883 -5.271 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.967 -3.894 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 51 5.889 -5.445 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.425 -7.768 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.934 -7.458 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.706 -7.535 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.352 -5.959 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.631 -5.653 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.811 -4.327 -3.959 1.00 0.00 H new ATOM 797 N ASN A 52 4.523 -3.174 1.460 1.00 0.00 N ATOM 798 CA ASN A 52 4.166 -1.971 2.197 1.00 0.00 C ATOM 799 C ASN A 52 4.290 -0.758 1.293 1.00 0.00 C ATOM 800 O ASN A 52 5.356 -0.153 1.178 1.00 0.00 O ATOM 801 CB ASN A 52 5.065 -1.809 3.424 1.00 0.00 C ATOM 802 CG ASN A 52 5.385 -3.134 4.093 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.434 -4.062 4.061 1.00 0.00 O flip ATOM 804 ND2 ASN A 52 6.473 -3.318 4.637 1.00 0.00 N flip ATOM 0 H ASN A 52 5.511 -3.423 1.511 1.00 0.00 H new ATOM 0 HA ASN A 52 3.134 -2.059 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.994 -1.322 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.577 -1.152 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.175 -2.578 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.674 -4.211 5.087 1.00 0.00 H new ATOM 811 N VAL A 53 3.186 -0.418 0.648 1.00 0.00 N ATOM 812 CA VAL A 53 3.158 0.685 -0.297 1.00 0.00 C ATOM 813 C VAL A 53 2.886 2.013 0.393 1.00 0.00 C ATOM 814 O VAL A 53 1.753 2.314 0.770 1.00 0.00 O ATOM 815 CB VAL A 53 2.089 0.459 -1.378 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.252 1.461 -2.510 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.157 -0.967 -1.898 1.00 0.00 C ATOM 0 H VAL A 53 2.292 -0.894 0.763 1.00 0.00 H new ATOM 0 HA VAL A 53 4.144 0.723 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 53 1.106 0.613 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.486 1.285 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.149 2.473 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.238 1.345 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.394 -1.112 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.142 -1.151 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.984 -1.662 -1.077 1.00 0.00 H new ATOM 827 N MET A 54 3.929 2.824 0.502 1.00 0.00 N ATOM 828 CA MET A 54 3.816 4.144 1.103 1.00 0.00 C ATOM 829 C MET A 54 3.371 5.155 0.059 1.00 0.00 C ATOM 830 O MET A 54 3.380 4.863 -1.134 1.00 0.00 O ATOM 831 CB MET A 54 5.158 4.564 1.706 1.00 0.00 C ATOM 832 CG MET A 54 5.535 3.783 2.953 1.00 0.00 C ATOM 833 SD MET A 54 7.314 3.535 3.107 1.00 0.00 S ATOM 834 CE MET A 54 7.365 1.962 3.962 1.00 0.00 C ATOM 0 H MET A 54 4.868 2.588 0.180 1.00 0.00 H new ATOM 0 HA MET A 54 3.071 4.108 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.939 4.436 0.957 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.121 5.626 1.950 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.169 4.312 3.833 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.037 2.813 2.934 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.402 1.673 4.130 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.853 2.052 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.870 1.203 3.356 1.00 0.00 H new ATOM 844 N VAL A 55 2.936 6.323 0.514 1.00 0.00 N ATOM 845 CA VAL A 55 2.462 7.359 -0.396 1.00 0.00 C ATOM 846 C VAL A 55 2.921 8.744 0.055 1.00 0.00 C ATOM 847 O VAL A 55 2.858 9.077 1.240 1.00 0.00 O ATOM 848 CB VAL A 55 0.921 7.336 -0.518 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.416 5.911 -0.683 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.264 7.996 0.684 1.00 0.00 C ATOM 0 H VAL A 55 2.901 6.576 1.501 1.00 0.00 H new ATOM 0 HA VAL A 55 2.894 7.148 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 55 0.649 7.906 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.671 5.918 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.847 5.474 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.709 5.318 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.819 7.964 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.548 7.464 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.591 9.033 0.754 1.00 0.00 H new ATOM 860 N VAL A 56 3.420 9.537 -0.889 1.00 0.00 N ATOM 861 CA VAL A 56 3.877 10.889 -0.581 1.00 0.00 C ATOM 862 C VAL A 56 2.794 11.916 -0.887 1.00 0.00 C ATOM 863 O VAL A 56 2.437 12.127 -2.046 1.00 0.00 O ATOM 864 CB VAL A 56 5.152 11.273 -1.361 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.239 11.729 -0.401 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.639 10.119 -2.222 1.00 0.00 C ATOM 0 H VAL A 56 3.518 9.269 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 56 4.107 10.893 0.485 1.00 0.00 H new ATOM 0 HB VAL A 56 4.908 12.100 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.133 11.997 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.889 12.596 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.475 10.921 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.538 10.420 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.865 9.262 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.863 9.846 -2.938 1.00 0.00 H new ATOM 876 N VAL A 57 2.276 12.555 0.156 1.00 0.00 N ATOM 877 CA VAL A 57 1.244 13.570 -0.011 1.00 0.00 C ATOM 878 C VAL A 57 1.603 14.842 0.753 1.00 0.00 C ATOM 879 O VAL A 57 2.209 14.785 1.823 1.00 0.00 O ATOM 880 CB VAL A 57 -0.140 13.060 0.444 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.404 11.669 -0.112 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.253 13.059 1.960 1.00 0.00 C ATOM 0 H VAL A 57 2.553 12.388 1.123 1.00 0.00 H new ATOM 0 HA VAL A 57 1.189 13.797 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.895 13.741 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.384 11.325 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.379 11.702 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.362 10.982 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.238 12.695 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.513 12.408 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.115 14.073 2.336 1.00 0.00 H new ATOM 892 N GLY A 58 1.242 15.989 0.187 1.00 0.00 N ATOM 893 CA GLY A 58 1.539 17.257 0.826 1.00 0.00 C ATOM 894 C GLY A 58 0.821 18.415 0.164 1.00 0.00 C ATOM 895 O GLY A 58 -0.018 19.069 0.782 1.00 0.00 O ATOM 0 H GLY A 58 0.749 16.063 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.253 17.208 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.614 17.434 0.796 1.00 0.00 H new ATOM 899 N ASP A 59 1.147 18.661 -1.101 1.00 0.00 N ATOM 900 CA ASP A 59 0.515 19.734 -1.858 1.00 0.00 C ATOM 901 C ASP A 59 -0.838 19.283 -2.389 1.00 0.00 C ATOM 902 O ASP A 59 -1.603 20.080 -2.934 1.00 0.00 O ATOM 903 CB ASP A 59 1.415 20.171 -3.016 1.00 0.00 C ATOM 904 CG ASP A 59 1.621 19.067 -4.034 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.076 17.972 -3.639 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.326 19.295 -5.226 1.00 0.00 O ATOM 0 H ASP A 59 1.845 18.131 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 59 0.364 20.583 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.974 21.038 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.382 20.485 -2.623 1.00 0.00 H new ATOM 911 N ALA A 60 -1.123 17.996 -2.225 1.00 0.00 N ATOM 912 CA ALA A 60 -2.386 17.423 -2.671 1.00 0.00 C ATOM 913 C ALA A 60 -3.555 17.970 -1.852 1.00 0.00 C ATOM 914 O ALA A 60 -3.526 19.114 -1.399 1.00 0.00 O ATOM 915 CB ALA A 60 -2.328 15.906 -2.579 1.00 0.00 C ATOM 0 H ALA A 60 -0.492 17.327 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.548 17.707 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.276 15.485 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.522 15.534 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.145 15.611 -1.546 1.00 0.00 H new ATOM 921 N GLU A 61 -4.581 17.145 -1.659 1.00 0.00 N ATOM 922 CA GLU A 61 -5.755 17.550 -0.895 1.00 0.00 C ATOM 923 C GLU A 61 -6.369 16.357 -0.175 1.00 0.00 C ATOM 924 O GLU A 61 -5.726 15.321 -0.010 1.00 0.00 O ATOM 925 CB GLU A 61 -6.793 18.195 -1.817 1.00 0.00 C ATOM 926 CG GLU A 61 -6.639 17.813 -3.279 1.00 0.00 C ATOM 927 CD GLU A 61 -7.754 18.363 -4.148 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.935 18.109 -3.828 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.447 19.046 -5.147 1.00 0.00 O ATOM 0 H GLU A 61 -4.622 16.192 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.440 18.280 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.790 17.911 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.722 19.279 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.681 18.181 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.618 16.727 -3.366 1.00 0.00 H new ATOM 936 N GLY A 62 -7.623 16.506 0.242 1.00 0.00 N ATOM 937 CA GLY A 62 -8.309 15.422 0.914 1.00 0.00 C ATOM 938 C GLY A 62 -8.846 14.411 -0.076 1.00 0.00 C ATOM 939 O GLY A 62 -9.639 13.538 0.279 1.00 0.00 O ATOM 0 H GLY A 62 -8.173 17.357 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.625 14.929 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.130 15.822 1.509 1.00 0.00 H new ATOM 943 N GLY A 63 -8.405 14.535 -1.325 1.00 0.00 N ATOM 944 CA GLY A 63 -8.844 13.627 -2.366 1.00 0.00 C ATOM 945 C GLY A 63 -8.279 12.231 -2.197 1.00 0.00 C ATOM 946 O GLY A 63 -8.609 11.325 -2.964 1.00 0.00 O ATOM 0 H GLY A 63 -7.749 15.252 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.933 13.577 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.545 14.021 -3.337 1.00 0.00 H new ATOM 950 N THR A 64 -7.434 12.051 -1.186 1.00 0.00 N ATOM 951 CA THR A 64 -6.837 10.748 -0.919 1.00 0.00 C ATOM 952 C THR A 64 -7.865 9.811 -0.305 1.00 0.00 C ATOM 953 O THR A 64 -7.598 8.628 -0.097 1.00 0.00 O ATOM 954 CB THR A 64 -5.632 10.884 0.012 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.047 10.961 1.364 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.781 12.100 -0.281 1.00 0.00 C ATOM 0 H THR A 64 -7.149 12.788 -0.541 1.00 0.00 H new ATOM 0 HA THR A 64 -6.497 10.330 -1.866 1.00 0.00 H new ATOM 0 HB THR A 64 -5.031 9.992 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.261 11.046 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.944 12.135 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.401 12.041 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.384 13.001 -0.170 1.00 0.00 H new ATOM 964 N GLU A 65 -9.045 10.353 -0.021 1.00 0.00 N ATOM 965 CA GLU A 65 -10.142 9.565 0.525 1.00 0.00 C ATOM 966 C GLU A 65 -10.436 8.379 -0.378 1.00 0.00 C ATOM 967 O GLU A 65 -10.966 7.357 0.060 1.00 0.00 O ATOM 968 CB GLU A 65 -11.392 10.431 0.655 1.00 0.00 C ATOM 969 CG GLU A 65 -11.785 11.132 -0.635 1.00 0.00 C ATOM 970 CD GLU A 65 -12.754 10.318 -1.471 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.543 9.547 -0.884 1.00 0.00 O ATOM 972 OE2 GLU A 65 -12.725 10.452 -2.713 1.00 0.00 O ATOM 0 H GLU A 65 -9.265 11.339 -0.161 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.853 9.200 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.222 9.808 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.226 11.180 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.237 12.095 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.889 11.336 -1.221 1.00 0.00 H new ATOM 979 N ALA A 66 -10.069 8.532 -1.641 1.00 0.00 N ATOM 980 CA ALA A 66 -10.288 7.498 -2.645 1.00 0.00 C ATOM 981 C ALA A 66 -9.628 6.188 -2.236 1.00 0.00 C ATOM 982 O ALA A 66 -10.077 5.113 -2.626 1.00 0.00 O ATOM 983 CB ALA A 66 -9.760 7.955 -3.997 1.00 0.00 C ATOM 0 H ALA A 66 -9.613 9.371 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.361 7.326 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.930 7.173 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.280 8.863 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.691 8.156 -3.921 1.00 0.00 H new ATOM 989 N ALA A 67 -8.590 6.283 -1.412 1.00 0.00 N ATOM 990 CA ALA A 67 -7.887 5.099 -0.937 1.00 0.00 C ATOM 991 C ALA A 67 -8.837 4.203 -0.156 1.00 0.00 C ATOM 992 O ALA A 67 -9.052 3.044 -0.515 1.00 0.00 O ATOM 993 CB ALA A 67 -6.697 5.499 -0.077 1.00 0.00 C ATOM 0 H ALA A 67 -8.218 7.165 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.515 4.542 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.182 4.603 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.010 6.107 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.045 6.073 0.781 1.00 0.00 H new ATOM 999 N GLU A 68 -9.440 4.763 0.888 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.405 4.029 1.696 1.00 0.00 C ATOM 1001 C GLU A 68 -11.574 3.564 0.833 1.00 0.00 C ATOM 1002 O GLU A 68 -12.159 2.508 1.078 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.917 4.908 2.838 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.834 5.313 3.826 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.333 5.354 5.258 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.336 4.675 5.558 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.717 6.067 6.079 1.00 0.00 O ATOM 0 H GLU A 68 -9.277 5.722 1.193 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.909 3.155 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.370 5.807 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.703 4.374 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.003 4.611 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.447 6.295 3.552 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.922 4.373 -0.165 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.001 4.039 -1.081 1.00 0.00 C ATOM 1016 C GLU A 69 -12.686 2.750 -1.829 1.00 0.00 C ATOM 1017 O GLU A 69 -13.498 1.826 -1.870 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.225 5.179 -2.077 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.540 5.914 -1.875 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.711 5.198 -2.519 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.832 5.256 -3.762 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.506 4.578 -1.783 1.00 0.00 O ATOM 0 H GLU A 69 -11.469 5.266 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.912 3.893 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.404 5.891 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.195 4.777 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.730 6.026 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.459 6.918 -2.291 1.00 0.00 H new ATOM 1029 N SER A 70 -11.503 2.710 -2.434 1.00 0.00 N ATOM 1030 CA SER A 70 -11.057 1.537 -3.169 1.00 0.00 C ATOM 1031 C SER A 70 -10.903 0.346 -2.235 1.00 0.00 C ATOM 1032 O SER A 70 -10.916 -0.801 -2.674 1.00 0.00 O ATOM 1033 CB SER A 70 -9.730 1.825 -3.874 1.00 0.00 C ATOM 1034 OG SER A 70 -9.633 1.113 -5.095 1.00 0.00 O ATOM 0 H SER A 70 -10.835 3.481 -2.428 1.00 0.00 H new ATOM 0 HA SER A 70 -11.811 1.296 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.642 2.894 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.901 1.549 -3.222 1.00 0.00 H new ATOM 0 HG SER A 70 -8.776 1.317 -5.525 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.783 0.631 -0.942 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.622 -0.412 0.064 1.00 0.00 C ATOM 1042 C LEU A 71 -11.930 -1.166 0.272 1.00 0.00 C ATOM 1043 O LEU A 71 -11.931 -2.343 0.633 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.162 0.204 1.386 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.742 -0.167 1.827 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.643 -1.657 2.116 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.726 0.246 0.772 1.00 0.00 C ATOM 0 H LEU A 71 -10.794 1.579 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.868 -1.116 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.226 1.289 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.858 -0.098 2.169 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.517 0.374 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.627 -1.900 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.340 -1.920 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.891 -2.219 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.725 -0.026 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.948 -0.263 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.777 1.324 0.620 1.00 0.00 H new ATOM 1059 N SER A 72 -13.040 -0.479 0.030 1.00 0.00 N ATOM 1060 CA SER A 72 -14.362 -1.078 0.172 1.00 0.00 C ATOM 1061 C SER A 72 -14.548 -2.218 -0.824 1.00 0.00 C ATOM 1062 O SER A 72 -15.462 -3.034 -0.691 1.00 0.00 O ATOM 1063 CB SER A 72 -15.440 -0.012 -0.033 1.00 0.00 C ATOM 1064 OG SER A 72 -16.166 -0.241 -1.229 1.00 0.00 O ATOM 0 H SER A 72 -13.051 0.497 -0.267 1.00 0.00 H new ATOM 0 HA SER A 72 -14.453 -1.488 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.123 -0.014 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.978 0.974 -0.068 1.00 0.00 H new ATOM 0 HG SER A 72 -16.849 0.453 -1.335 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.666 -2.268 -1.816 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.718 -3.311 -2.823 1.00 0.00 C ATOM 1072 C GLY A 73 -12.344 -3.605 -3.386 1.00 0.00 C ATOM 1073 O GLY A 73 -12.201 -4.000 -4.543 1.00 0.00 O ATOM 0 H GLY A 73 -12.908 -1.597 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.136 -4.219 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.386 -3.007 -3.629 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.334 -3.393 -2.553 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.944 -3.596 -2.941 1.00 0.00 C ATOM 1079 C ILE A 74 -9.610 -5.084 -3.050 1.00 0.00 C ATOM 1080 O ILE A 74 -10.507 -5.926 -3.102 1.00 0.00 O ATOM 1081 CB ILE A 74 -9.000 -2.907 -1.926 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.708 -2.457 -2.609 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.700 -3.814 -0.739 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.572 -0.954 -2.704 1.00 0.00 C ATOM 0 H ILE A 74 -11.454 -3.076 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.799 -3.147 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.511 -2.024 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.856 -2.858 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.669 -2.882 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.035 -3.299 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.630 -4.066 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.220 -4.727 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.634 -0.704 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.405 -0.549 -3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.580 -0.524 -1.702 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.316 -5.395 -3.093 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.843 -6.773 -3.174 1.00 0.00 C ATOM 1098 C GLU A 75 -8.485 -7.629 -2.081 1.00 0.00 C ATOM 1099 O GLU A 75 -7.957 -7.746 -0.975 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.314 -6.787 -3.046 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.788 -5.853 -1.968 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.027 -4.672 -2.541 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.329 -4.268 -3.684 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.131 -4.149 -1.845 1.00 0.00 O ATOM 0 H GLU A 75 -7.569 -4.701 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.128 -7.197 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.985 -7.803 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.874 -6.508 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.623 -5.487 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.135 -6.410 -1.296 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.644 -8.207 -2.402 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.374 -9.018 -1.442 1.00 0.00 C ATOM 1113 C GLY A 76 -9.576 -10.204 -0.944 1.00 0.00 C ATOM 1114 O GLY A 76 -9.790 -10.681 0.172 1.00 0.00 O ATOM 0 H GLY A 76 -10.090 -8.126 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.660 -8.397 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.296 -9.374 -1.902 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.647 -10.676 -1.765 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.804 -11.802 -1.393 1.00 0.00 C ATOM 1120 C VAL A 77 -6.596 -11.317 -0.613 1.00 0.00 C ATOM 1121 O VAL A 77 -6.141 -11.966 0.327 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.330 -12.584 -2.634 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.138 -11.908 -3.298 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.995 -14.021 -2.258 1.00 0.00 C ATOM 0 H VAL A 77 -8.459 -10.296 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.401 -12.469 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.146 -12.593 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.830 -12.486 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.418 -10.902 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.311 -11.851 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.662 -14.561 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.202 -14.026 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.881 -14.506 -1.850 1.00 0.00 H new ATOM 1134 N SER A 78 -6.120 -10.143 -0.989 1.00 0.00 N ATOM 1135 CA SER A 78 -4.966 -9.544 -0.347 1.00 0.00 C ATOM 1136 C SER A 78 -5.402 -8.566 0.736 1.00 0.00 C ATOM 1137 O SER A 78 -5.570 -7.377 0.474 1.00 0.00 O ATOM 1138 CB SER A 78 -4.109 -8.818 -1.393 1.00 0.00 C ATOM 1139 OG SER A 78 -4.337 -9.340 -2.690 1.00 0.00 O ATOM 0 H SER A 78 -6.520 -9.583 -1.742 1.00 0.00 H new ATOM 0 HA SER A 78 -4.377 -10.334 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.339 -7.753 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.054 -8.919 -1.137 1.00 0.00 H new ATOM 0 HG SER A 78 -3.781 -8.860 -3.338 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.581 -9.062 1.959 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.960 -8.186 3.060 1.00 0.00 C ATOM 1147 C ASN A 79 -4.757 -7.381 3.475 1.00 0.00 C ATOM 1148 O ASN A 79 -3.673 -7.919 3.707 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.515 -8.957 4.256 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.363 -8.206 5.582 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.537 -6.874 5.583 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -6.098 -8.825 6.614 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.472 -10.045 2.207 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.758 -7.530 2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.570 -9.169 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.005 -9.917 4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.971 -9.837 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.006 -8.326 7.499 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.956 -6.088 3.547 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.883 -5.177 3.826 1.00 0.00 C ATOM 1161 C ILE A 80 -3.873 -4.714 5.270 1.00 0.00 C ATOM 1162 O ILE A 80 -4.921 -4.544 5.893 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.021 -3.945 2.929 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.254 -4.360 1.477 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.804 -3.059 3.054 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.625 -3.992 0.957 1.00 0.00 C ATOM 0 H ILE A 80 -5.864 -5.643 3.414 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.952 -5.710 3.634 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.889 -3.373 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.498 -3.891 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.118 -5.438 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.920 -2.188 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.696 -2.733 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.916 -3.616 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.720 -4.317 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.387 -4.482 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.757 -2.911 1.012 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.675 -4.443 5.768 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.515 -3.848 7.074 1.00 0.00 C ATOM 1180 C GLU A 81 -2.625 -2.353 6.878 1.00 0.00 C ATOM 1181 O GLU A 81 -1.627 -1.630 6.858 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.162 -4.220 7.689 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.012 -3.783 9.137 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.873 -4.955 10.088 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.104 -5.887 9.773 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.533 -4.940 11.148 1.00 0.00 O ATOM 0 H GLU A 81 -1.799 -4.629 5.279 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.277 -4.212 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.029 -5.300 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.366 -3.767 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.137 -3.139 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.878 -3.187 9.425 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.848 -1.929 6.597 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.133 -0.553 6.249 1.00 0.00 C ATOM 1195 C VAL A 82 -4.210 0.324 7.498 1.00 0.00 C ATOM 1196 O VAL A 82 -5.182 1.044 7.725 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.453 -0.478 5.449 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.776 0.959 5.070 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.371 -1.345 4.206 1.00 0.00 C ATOM 0 H VAL A 82 -4.669 -2.534 6.605 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.320 -0.176 5.629 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.256 -0.853 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.709 0.986 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.879 1.559 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.971 1.363 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.309 -1.280 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.554 -0.998 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.191 -2.380 4.496 1.00 0.00 H new ATOM 1209 N THR A 83 -3.186 0.210 8.332 1.00 0.00 N ATOM 1210 CA THR A 83 -3.100 1.001 9.548 1.00 0.00 C ATOM 1211 C THR A 83 -1.716 1.623 9.704 1.00 0.00 C ATOM 1212 O THR A 83 -1.386 2.142 10.771 1.00 0.00 O ATOM 1213 CB THR A 83 -3.422 0.132 10.766 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.458 -0.787 10.466 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.853 0.935 11.972 1.00 0.00 C ATOM 0 H THR A 83 -2.401 -0.425 8.187 1.00 0.00 H new ATOM 0 HA THR A 83 -3.830 1.807 9.478 1.00 0.00 H new ATOM 0 HB THR A 83 -2.494 -0.387 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.649 -1.334 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.067 0.260 12.801 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.054 1.619 12.258 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.749 1.505 11.728 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.867 1.490 8.683 1.00 0.00 N ATOM 1224 CA ASP A 84 0.479 2.027 8.763 1.00 0.00 C ATOM 1225 C ASP A 84 0.506 3.494 8.347 1.00 0.00 C ATOM 1226 O ASP A 84 -0.070 3.871 7.328 1.00 0.00 O ATOM 1227 CB ASP A 84 1.430 1.196 7.904 1.00 0.00 C ATOM 1228 CG ASP A 84 2.886 1.411 8.275 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.187 2.422 8.945 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.726 0.570 7.893 1.00 0.00 O ATOM 0 H ASP A 84 -1.090 1.021 7.805 1.00 0.00 H new ATOM 0 HA ASP A 84 0.813 1.971 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.183 0.140 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.284 1.452 6.855 1.00 0.00 H new