USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 LYS NZ :NH3+ -175:sc= 0.55 (180deg=0.437) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 94:sc= 1.1 USER MOD Single : A 8 CYS SG : rot -60:sc= -0.243 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0898) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.108 F(o=-1.5,f=-0.11) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0328 F(o=-0.57,f=-0.033) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc= -6.37! (180deg=-10.9!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.372 F(o=-1.2,f=-0.37) USER MOD Single : A 47 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 77:sc= 0.841 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 154:sc= -0.849 (180deg=-3.05!) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.315 3.461 -9.169 1.00 0.00 N ATOM 64 CA SER A 1 -4.993 3.955 -10.361 1.00 0.00 C ATOM 65 C SER A 1 -4.827 2.982 -11.524 1.00 0.00 C ATOM 66 O SER A 1 -5.807 2.536 -12.120 1.00 0.00 O ATOM 67 CB SER A 1 -4.448 5.331 -10.751 1.00 0.00 C ATOM 68 OG SER A 1 -4.701 6.286 -9.735 1.00 0.00 O ATOM 0 H1 SER A 1 -4.442 4.140 -8.391 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.718 2.542 -8.896 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.300 3.348 -9.368 1.00 0.00 H new ATOM 0 HA SER A 1 -6.055 4.044 -10.133 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.375 5.263 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.908 5.657 -11.684 1.00 0.00 H new ATOM 0 HG SER A 1 -4.342 7.156 -10.007 1.00 0.00 H new ATOM 74 N ALA A 2 -3.578 2.657 -11.842 1.00 0.00 N ATOM 75 CA ALA A 2 -3.282 1.735 -12.931 1.00 0.00 C ATOM 76 C ALA A 2 -3.799 0.334 -12.621 1.00 0.00 C ATOM 77 O ALA A 2 -4.002 -0.477 -13.525 1.00 0.00 O ATOM 78 CB ALA A 2 -1.785 1.700 -13.201 1.00 0.00 C ATOM 0 H ALA A 2 -2.755 3.019 -11.360 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.793 2.092 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.579 1.007 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.441 2.697 -13.476 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.261 1.370 -12.304 1.00 0.00 H new ATOM 84 N ASP A 3 -4.008 0.057 -11.339 1.00 0.00 N ATOM 85 CA ASP A 3 -4.501 -1.247 -10.910 1.00 0.00 C ATOM 86 C ASP A 3 -6.002 -1.367 -11.154 1.00 0.00 C ATOM 87 O ASP A 3 -6.484 -2.395 -11.632 1.00 0.00 O ATOM 88 CB ASP A 3 -4.194 -1.470 -9.428 1.00 0.00 C ATOM 89 CG ASP A 3 -3.344 -2.703 -9.192 1.00 0.00 C ATOM 90 OD1 ASP A 3 -3.785 -3.808 -9.572 1.00 0.00 O ATOM 91 OD2 ASP A 3 -2.239 -2.564 -8.628 1.00 0.00 O ATOM 0 H ASP A 3 -3.844 0.717 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.993 -2.011 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.678 -0.595 -9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.129 -1.566 -8.877 1.00 0.00 H new ATOM 96 N LEU A 4 -6.737 -0.311 -10.823 1.00 0.00 N ATOM 97 CA LEU A 4 -8.184 -0.298 -11.005 1.00 0.00 C ATOM 98 C LEU A 4 -8.546 -0.254 -12.487 1.00 0.00 C ATOM 99 O LEU A 4 -9.467 -0.939 -12.932 1.00 0.00 O ATOM 100 CB LEU A 4 -8.799 0.902 -10.282 1.00 0.00 C ATOM 101 CG LEU A 4 -10.326 0.974 -10.280 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.829 1.593 -8.985 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.825 1.765 -11.480 1.00 0.00 C ATOM 0 H LEU A 4 -6.354 0.548 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.587 -1.216 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.454 0.893 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.413 1.813 -10.739 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.718 -0.041 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.918 1.636 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.503 0.986 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.427 2.601 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.914 1.806 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.423 2.778 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.495 1.279 -12.398 1.00 0.00 H new ATOM 115 N VAL A 5 -7.814 0.555 -13.245 1.00 0.00 N ATOM 116 CA VAL A 5 -8.055 0.687 -14.677 1.00 0.00 C ATOM 117 C VAL A 5 -7.690 -0.596 -15.416 1.00 0.00 C ATOM 118 O VAL A 5 -8.488 -1.129 -16.187 1.00 0.00 O ATOM 119 CB VAL A 5 -7.253 1.857 -15.276 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.435 1.913 -16.786 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.667 3.171 -14.632 1.00 0.00 C ATOM 0 H VAL A 5 -7.049 1.129 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.120 0.885 -14.802 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.196 1.694 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.861 2.746 -17.191 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.084 0.981 -17.230 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.490 2.052 -17.020 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.090 3.987 -15.067 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.729 3.343 -14.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.479 3.126 -13.559 1.00 0.00 H new ATOM 131 N SER A 6 -6.479 -1.088 -15.174 1.00 0.00 N ATOM 132 CA SER A 6 -6.007 -2.307 -15.819 1.00 0.00 C ATOM 133 C SER A 6 -6.887 -3.496 -15.445 1.00 0.00 C ATOM 134 O SER A 6 -7.172 -4.357 -16.277 1.00 0.00 O ATOM 135 CB SER A 6 -4.556 -2.589 -15.424 1.00 0.00 C ATOM 136 OG SER A 6 -3.688 -1.584 -15.919 1.00 0.00 O ATOM 0 H SER A 6 -5.807 -0.661 -14.536 1.00 0.00 H new ATOM 0 HA SER A 6 -6.062 -2.162 -16.898 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.475 -2.641 -14.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.252 -3.561 -15.814 1.00 0.00 H new ATOM 0 HG SER A 6 -3.559 -0.896 -15.233 1.00 0.00 H new ATOM 142 N SER A 7 -7.316 -3.535 -14.188 1.00 0.00 N ATOM 143 CA SER A 7 -8.161 -4.619 -13.701 1.00 0.00 C ATOM 144 C SER A 7 -9.571 -4.506 -14.273 1.00 0.00 C ATOM 145 O SER A 7 -10.115 -5.473 -14.808 1.00 0.00 O ATOM 146 CB SER A 7 -8.215 -4.605 -12.172 1.00 0.00 C ATOM 147 OG SER A 7 -9.161 -5.542 -11.687 1.00 0.00 O ATOM 0 H SER A 7 -7.092 -2.828 -13.488 1.00 0.00 H new ATOM 0 HA SER A 7 -7.727 -5.562 -14.033 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.229 -4.836 -11.768 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.476 -3.606 -11.823 1.00 0.00 H new ATOM 0 HG SER A 7 -9.176 -5.515 -10.707 1.00 0.00 H new ATOM 153 N CYS A 8 -10.157 -3.320 -14.155 1.00 0.00 N ATOM 154 CA CYS A 8 -11.505 -3.080 -14.659 1.00 0.00 C ATOM 155 C CYS A 8 -11.568 -3.294 -16.167 1.00 0.00 C ATOM 156 O CYS A 8 -12.535 -3.851 -16.687 1.00 0.00 O ATOM 157 CB CYS A 8 -11.955 -1.659 -14.314 1.00 0.00 C ATOM 158 SG CYS A 8 -12.489 -1.450 -12.599 1.00 0.00 S ATOM 0 H CYS A 8 -9.721 -2.510 -13.715 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.177 -3.793 -14.181 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.134 -0.971 -14.514 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.775 -1.378 -14.975 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.496 -2.237 -12.359 1.00 0.00 H new ATOM 164 N LYS A 9 -10.530 -2.847 -16.867 1.00 0.00 N ATOM 165 CA LYS A 9 -10.466 -2.988 -18.317 1.00 0.00 C ATOM 166 C LYS A 9 -10.349 -4.456 -18.715 1.00 0.00 C ATOM 167 O LYS A 9 -11.151 -4.962 -19.500 1.00 0.00 O ATOM 168 CB LYS A 9 -9.279 -2.201 -18.875 1.00 0.00 C ATOM 169 CG LYS A 9 -8.965 -2.521 -20.326 1.00 0.00 C ATOM 170 CD LYS A 9 -7.650 -3.271 -20.459 1.00 0.00 C ATOM 171 CE LYS A 9 -6.582 -2.411 -21.117 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.698 -2.420 -22.601 1.00 0.00 N ATOM 0 H LYS A 9 -9.721 -2.384 -16.453 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.388 -2.588 -18.737 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.486 -1.135 -18.783 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.398 -2.408 -18.267 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.771 -3.120 -20.750 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.918 -1.597 -20.902 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.308 -3.586 -19.473 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.804 -4.176 -21.047 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.665 -1.387 -20.753 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.595 -2.773 -20.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.952 -1.822 -23.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.593 -3.394 -22.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.630 -2.051 -22.879 1.00 0.00 H new ATOM 186 N ASP A 10 -9.346 -5.134 -18.168 1.00 0.00 N ATOM 187 CA ASP A 10 -9.125 -6.545 -18.465 1.00 0.00 C ATOM 188 C ASP A 10 -10.403 -7.351 -18.251 1.00 0.00 C ATOM 189 O ASP A 10 -10.801 -8.142 -19.107 1.00 0.00 O ATOM 190 CB ASP A 10 -8.003 -7.103 -17.589 1.00 0.00 C ATOM 191 CG ASP A 10 -7.991 -8.618 -17.558 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.611 -9.229 -18.579 1.00 0.00 O ATOM 193 OD2 ASP A 10 -8.363 -9.194 -16.514 1.00 0.00 O ATOM 0 H ASP A 10 -8.673 -4.730 -17.517 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.834 -6.630 -19.512 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.043 -6.743 -17.960 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.116 -6.723 -16.574 1.00 0.00 H new ATOM 198 N LYS A 11 -11.040 -7.147 -17.103 1.00 0.00 N ATOM 199 CA LYS A 11 -12.272 -7.854 -16.776 1.00 0.00 C ATOM 200 C LYS A 11 -13.405 -7.433 -17.707 1.00 0.00 C ATOM 201 O LYS A 11 -13.991 -8.263 -18.403 1.00 0.00 O ATOM 202 CB LYS A 11 -12.667 -7.587 -15.322 1.00 0.00 C ATOM 203 CG LYS A 11 -12.499 -8.794 -14.414 1.00 0.00 C ATOM 204 CD LYS A 11 -11.223 -8.701 -13.594 1.00 0.00 C ATOM 205 CE LYS A 11 -11.521 -8.433 -12.127 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.385 -8.828 -11.249 1.00 0.00 N ATOM 0 H LYS A 11 -10.723 -6.497 -16.383 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.095 -8.921 -16.908 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.064 -6.765 -14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.707 -7.261 -15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.357 -8.870 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.481 -9.703 -15.015 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.660 -9.630 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.592 -7.905 -13.990 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.736 -7.374 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.416 -8.981 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.659 -8.709 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.140 -9.823 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.561 -8.228 -11.456 1.00 0.00 H new ATOM 220 N LEU A 12 -13.708 -6.140 -17.714 1.00 0.00 N ATOM 221 CA LEU A 12 -14.770 -5.608 -18.561 1.00 0.00 C ATOM 222 C LEU A 12 -14.619 -6.099 -19.997 1.00 0.00 C ATOM 223 O LEU A 12 -15.598 -6.474 -20.642 1.00 0.00 O ATOM 224 CB LEU A 12 -14.757 -4.079 -18.529 1.00 0.00 C ATOM 225 CG LEU A 12 -15.664 -3.378 -19.543 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.822 -2.690 -18.837 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.868 -2.377 -20.367 1.00 0.00 C ATOM 0 H LEU A 12 -13.234 -5.440 -17.143 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.724 -5.965 -18.173 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.044 -3.754 -17.529 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.734 -3.741 -18.692 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.073 -4.130 -20.218 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.456 -2.197 -19.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.407 -3.430 -18.292 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.434 -1.949 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.529 -1.888 -21.083 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.431 -1.628 -19.707 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.074 -2.897 -20.903 1.00 0.00 H new ATOM 239 N ALA A 13 -13.386 -6.096 -20.492 1.00 0.00 N ATOM 240 CA ALA A 13 -13.106 -6.546 -21.850 1.00 0.00 C ATOM 241 C ALA A 13 -13.355 -8.043 -21.995 1.00 0.00 C ATOM 242 O ALA A 13 -13.860 -8.502 -23.019 1.00 0.00 O ATOM 243 CB ALA A 13 -11.673 -6.208 -22.233 1.00 0.00 C ATOM 0 H ALA A 13 -12.564 -5.787 -19.973 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.784 -6.025 -22.526 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.478 -6.550 -23.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.527 -5.129 -22.178 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.986 -6.702 -21.546 1.00 0.00 H new ATOM 249 N TYR A 14 -12.996 -8.800 -20.964 1.00 0.00 N ATOM 250 CA TYR A 14 -13.178 -10.247 -20.978 1.00 0.00 C ATOM 251 C TYR A 14 -14.645 -10.614 -20.779 1.00 0.00 C ATOM 252 O TYR A 14 -15.066 -11.729 -21.088 1.00 0.00 O ATOM 253 CB TYR A 14 -12.325 -10.900 -19.888 1.00 0.00 C ATOM 254 CG TYR A 14 -12.400 -12.410 -19.884 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.816 -13.157 -20.900 1.00 0.00 C ATOM 256 CD2 TYR A 14 -13.056 -13.090 -18.866 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.882 -14.536 -20.901 1.00 0.00 C ATOM 258 CE2 TYR A 14 -13.127 -14.470 -18.858 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.538 -15.188 -19.878 1.00 0.00 C ATOM 260 OH TYR A 14 -12.607 -16.563 -19.874 1.00 0.00 O ATOM 0 H TYR A 14 -12.577 -8.436 -20.108 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.858 -10.618 -21.952 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.287 -10.597 -20.020 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.645 -10.526 -18.915 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.302 -12.650 -21.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.519 -12.530 -18.067 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.422 -15.101 -21.698 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.640 -14.983 -18.058 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.103 -16.863 -19.084 1.00 0.00 H new ATOM 270 N PHE A 15 -15.420 -9.666 -20.262 1.00 0.00 N ATOM 271 CA PHE A 15 -16.841 -9.888 -20.022 1.00 0.00 C ATOM 272 C PHE A 15 -17.670 -9.467 -21.231 1.00 0.00 C ATOM 273 O PHE A 15 -17.354 -8.484 -21.903 1.00 0.00 O ATOM 274 CB PHE A 15 -17.297 -9.114 -18.783 1.00 0.00 C ATOM 275 CG PHE A 15 -16.573 -9.511 -17.528 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.150 -10.817 -17.340 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.314 -8.577 -16.537 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.484 -11.184 -16.186 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.648 -8.939 -15.381 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.232 -10.244 -15.206 1.00 0.00 C ATOM 0 H PHE A 15 -15.088 -8.737 -20.001 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.993 -10.954 -19.853 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -17.150 -8.048 -18.956 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.366 -9.269 -18.641 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.343 -11.556 -18.104 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.636 -7.555 -16.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.161 -12.206 -16.051 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.453 -8.202 -14.616 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.710 -10.529 -14.304 1.00 0.00 H new ATOM 290 N ARG A 16 -18.732 -10.217 -21.504 1.00 0.00 N ATOM 291 CA ARG A 16 -19.606 -9.924 -22.633 1.00 0.00 C ATOM 292 C ARG A 16 -20.343 -8.604 -22.423 1.00 0.00 C ATOM 293 O ARG A 16 -20.200 -7.962 -21.382 1.00 0.00 O ATOM 294 CB ARG A 16 -20.614 -11.057 -22.834 1.00 0.00 C ATOM 295 CG ARG A 16 -21.017 -11.265 -24.284 1.00 0.00 C ATOM 296 CD ARG A 16 -21.012 -12.739 -24.658 1.00 0.00 C ATOM 297 NE ARG A 16 -19.689 -13.337 -24.507 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.353 -14.517 -25.016 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.239 -15.221 -25.707 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.129 -14.995 -24.836 1.00 0.00 N ATOM 0 H ARG A 16 -19.008 -11.033 -20.958 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.986 -9.836 -23.525 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.188 -11.983 -22.448 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.506 -10.846 -22.245 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.011 -10.850 -24.449 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.332 -10.721 -24.935 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.725 -13.274 -24.032 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.346 -12.852 -25.689 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.984 -12.820 -23.982 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.181 -14.857 -25.849 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.978 -16.127 -26.097 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.444 -14.456 -24.306 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.873 -15.901 -25.228 1.00 0.00 H new ATOM 314 N ILE A 17 -21.130 -8.207 -23.417 1.00 0.00 N ATOM 315 CA ILE A 17 -21.888 -6.965 -23.339 1.00 0.00 C ATOM 316 C ILE A 17 -22.640 -6.861 -22.017 1.00 0.00 C ATOM 317 O ILE A 17 -22.924 -5.764 -21.535 1.00 0.00 O ATOM 318 CB ILE A 17 -22.895 -6.846 -24.499 1.00 0.00 C ATOM 319 CG1 ILE A 17 -22.197 -7.103 -25.837 1.00 0.00 C ATOM 320 CG2 ILE A 17 -23.551 -5.474 -24.493 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.608 -6.139 -26.928 1.00 0.00 C ATOM 0 H ILE A 17 -21.259 -8.727 -24.285 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.166 -6.151 -23.409 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.672 -7.599 -24.365 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.118 -7.038 -25.693 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -22.415 -8.121 -26.162 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -24.260 -5.406 -25.318 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -24.077 -5.326 -23.550 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.787 -4.705 -24.606 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -22.074 -6.381 -27.847 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.681 -6.220 -27.100 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.365 -5.121 -26.624 1.00 0.00 H new ATOM 333 N LYS A 18 -22.959 -8.011 -21.432 1.00 0.00 N ATOM 334 CA LYS A 18 -23.676 -8.052 -20.163 1.00 0.00 C ATOM 335 C LYS A 18 -23.019 -7.134 -19.138 1.00 0.00 C ATOM 336 O LYS A 18 -23.689 -6.326 -18.496 1.00 0.00 O ATOM 337 CB LYS A 18 -23.721 -9.484 -19.625 1.00 0.00 C ATOM 338 CG LYS A 18 -25.106 -9.924 -19.182 1.00 0.00 C ATOM 339 CD LYS A 18 -25.461 -9.357 -17.818 1.00 0.00 C ATOM 340 CE LYS A 18 -26.303 -8.096 -17.941 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.694 -8.399 -18.379 1.00 0.00 N ATOM 0 H LYS A 18 -22.732 -8.928 -21.817 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.694 -7.704 -20.338 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.362 -10.165 -20.397 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.035 -9.568 -18.782 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.844 -9.599 -19.915 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.149 -11.013 -19.147 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.006 -10.105 -17.242 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.548 -9.134 -17.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.329 -7.581 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.837 -7.416 -18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.307 -7.583 -18.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.701 -8.595 -19.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.046 -9.231 -17.864 1.00 0.00 H new ATOM 355 N GLU A 19 -21.704 -7.263 -18.991 1.00 0.00 N ATOM 356 CA GLU A 19 -20.958 -6.443 -18.043 1.00 0.00 C ATOM 357 C GLU A 19 -21.085 -4.961 -18.387 1.00 0.00 C ATOM 358 O GLU A 19 -21.542 -4.160 -17.571 1.00 0.00 O ATOM 359 CB GLU A 19 -19.483 -6.850 -18.033 1.00 0.00 C ATOM 360 CG GLU A 19 -18.618 -5.985 -17.132 1.00 0.00 C ATOM 361 CD GLU A 19 -18.646 -6.439 -15.686 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.464 -7.324 -15.358 1.00 0.00 O ATOM 363 OE2 GLU A 19 -17.850 -5.910 -14.882 1.00 0.00 O ATOM 0 H GLU A 19 -21.134 -7.927 -19.515 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.380 -6.606 -17.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.404 -7.888 -17.711 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.095 -6.802 -19.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.590 -6.003 -17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.959 -4.951 -17.191 1.00 0.00 H new ATOM 370 N LEU A 20 -20.678 -4.605 -19.601 1.00 0.00 N ATOM 371 CA LEU A 20 -20.745 -3.220 -20.054 1.00 0.00 C ATOM 372 C LEU A 20 -22.168 -2.681 -19.947 1.00 0.00 C ATOM 373 O LEU A 20 -22.377 -1.488 -19.724 1.00 0.00 O ATOM 374 CB LEU A 20 -20.254 -3.111 -21.499 1.00 0.00 C ATOM 375 CG LEU A 20 -18.804 -3.531 -21.748 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.751 -4.907 -22.394 1.00 0.00 C ATOM 377 CD2 LEU A 20 -18.094 -2.504 -22.617 1.00 0.00 C ATOM 0 H LEU A 20 -20.298 -5.256 -20.289 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.100 -2.621 -19.411 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.901 -3.721 -22.129 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.373 -2.078 -21.825 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.290 -3.583 -20.788 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.712 -5.189 -22.564 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.222 -5.637 -21.735 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.281 -4.882 -23.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.064 -2.819 -22.784 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.608 -2.420 -23.575 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.101 -1.536 -22.116 1.00 0.00 H new ATOM 389 N LYS A 21 -23.145 -3.567 -20.107 1.00 0.00 N ATOM 390 CA LYS A 21 -24.549 -3.183 -20.025 1.00 0.00 C ATOM 391 C LYS A 21 -24.909 -2.735 -18.612 1.00 0.00 C ATOM 392 O LYS A 21 -25.503 -1.674 -18.419 1.00 0.00 O ATOM 393 CB LYS A 21 -25.444 -4.351 -20.445 1.00 0.00 C ATOM 394 CG LYS A 21 -26.904 -3.967 -20.617 1.00 0.00 C ATOM 395 CD LYS A 21 -27.395 -4.260 -22.024 1.00 0.00 C ATOM 396 CE LYS A 21 -26.813 -3.282 -23.033 1.00 0.00 C ATOM 397 NZ LYS A 21 -26.900 -3.803 -24.425 1.00 0.00 N ATOM 0 H LYS A 21 -22.990 -4.558 -20.295 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.711 -2.346 -20.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.072 -4.764 -21.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.370 -5.141 -19.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.512 -4.514 -19.897 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.030 -2.906 -20.400 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.120 -5.278 -22.302 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.483 -4.206 -22.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.345 -2.333 -22.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.771 -3.082 -22.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.493 -3.107 -25.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.372 -4.696 -24.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.896 -3.970 -24.671 1.00 0.00 H new ATOM 411 N ASP A 22 -24.544 -3.549 -17.627 1.00 0.00 N ATOM 412 CA ASP A 22 -24.826 -3.235 -16.231 1.00 0.00 C ATOM 413 C ASP A 22 -24.156 -1.927 -15.822 1.00 0.00 C ATOM 414 O ASP A 22 -24.747 -1.111 -15.114 1.00 0.00 O ATOM 415 CB ASP A 22 -24.351 -4.371 -15.325 1.00 0.00 C ATOM 416 CG ASP A 22 -25.332 -4.671 -14.209 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.852 -3.710 -13.602 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.581 -5.865 -13.942 1.00 0.00 O ATOM 0 H ASP A 22 -24.052 -4.431 -17.770 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.904 -3.120 -16.121 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.200 -5.270 -15.923 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.385 -4.108 -14.894 1.00 0.00 H new ATOM 423 N ILE A 23 -22.921 -1.735 -16.272 1.00 0.00 N ATOM 424 CA ILE A 23 -22.171 -0.527 -15.952 1.00 0.00 C ATOM 425 C ILE A 23 -22.836 0.707 -16.553 1.00 0.00 C ATOM 426 O ILE A 23 -23.189 1.646 -15.838 1.00 0.00 O ATOM 427 CB ILE A 23 -20.720 -0.613 -16.461 1.00 0.00 C ATOM 428 CG1 ILE A 23 -20.007 -1.812 -15.831 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.973 0.676 -16.153 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.573 -1.969 -16.287 1.00 0.00 C ATOM 0 H ILE A 23 -22.418 -2.400 -16.859 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.161 -0.440 -14.866 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.737 -0.750 -17.542 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.026 -1.707 -14.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.558 -2.721 -16.073 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.949 0.599 -16.519 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.472 1.512 -16.643 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.962 0.842 -15.076 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.130 -2.838 -15.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.548 -2.106 -17.368 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.007 -1.076 -16.021 1.00 0.00 H new ATOM 442 N LEU A 24 -23.005 0.699 -17.871 1.00 0.00 N ATOM 443 CA LEU A 24 -23.629 1.817 -18.569 1.00 0.00 C ATOM 444 C LEU A 24 -25.038 2.070 -18.042 1.00 0.00 C ATOM 445 O LEU A 24 -25.502 3.209 -18.004 1.00 0.00 O ATOM 446 CB LEU A 24 -23.677 1.542 -20.073 1.00 0.00 C ATOM 447 CG LEU A 24 -24.886 0.749 -20.572 1.00 0.00 C ATOM 448 CD1 LEU A 24 -26.050 1.681 -20.870 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.519 -0.062 -21.807 1.00 0.00 C ATOM 0 H LEU A 24 -22.718 -0.070 -18.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.028 2.708 -18.387 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -23.652 2.497 -20.598 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.773 1.001 -20.352 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.193 0.058 -19.786 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.901 1.099 -21.224 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.329 2.217 -19.962 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -25.756 2.397 -21.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.391 -0.620 -22.148 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.186 0.610 -22.598 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -23.717 -0.758 -21.560 1.00 0.00 H new ATOM 461 N ASN A 25 -25.712 1.000 -17.633 1.00 0.00 N ATOM 462 CA ASN A 25 -27.068 1.106 -17.105 1.00 0.00 C ATOM 463 C ASN A 25 -27.082 1.885 -15.793 1.00 0.00 C ATOM 464 O ASN A 25 -27.931 2.751 -15.584 1.00 0.00 O ATOM 465 CB ASN A 25 -27.665 -0.286 -16.891 1.00 0.00 C ATOM 466 CG ASN A 25 -28.577 -0.344 -15.681 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.996 -0.601 -14.514 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.789 -0.160 -15.793 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.342 0.050 -17.657 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.673 1.645 -17.834 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.225 -0.579 -17.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.859 -1.009 -16.770 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -30.193 0.035 -16.709 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.389 -0.202 -14.970 1.00 0.00 H new ATOM 475 N GLN A 26 -26.135 1.571 -14.915 1.00 0.00 N ATOM 476 CA GLN A 26 -26.038 2.242 -13.624 1.00 0.00 C ATOM 477 C GLN A 26 -25.622 3.699 -13.797 1.00 0.00 C ATOM 478 O GLN A 26 -26.022 4.567 -13.019 1.00 0.00 O ATOM 479 CB GLN A 26 -25.038 1.517 -12.722 1.00 0.00 C ATOM 480 CG GLN A 26 -25.600 0.261 -12.076 1.00 0.00 C ATOM 481 CD GLN A 26 -24.520 -0.624 -11.485 1.00 0.00 C ATOM 482 OE1 GLN A 26 -23.547 -1.000 -12.306 1.00 0.00 O flip ATOM 483 NE2 GLN A 26 -24.561 -0.967 -10.303 1.00 0.00 N flip ATOM 0 H GLN A 26 -25.424 0.857 -15.074 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.022 2.218 -13.156 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.159 1.251 -13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.705 2.200 -11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.303 0.543 -11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.162 -0.305 -12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.328 -0.654 -9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.828 -1.564 -9.919 1.00 0.00 H new ATOM 492 N LEU A 27 -24.817 3.962 -14.820 1.00 0.00 N ATOM 493 CA LEU A 27 -24.346 5.314 -15.096 1.00 0.00 C ATOM 494 C LEU A 27 -25.479 6.189 -15.622 1.00 0.00 C ATOM 495 O LEU A 27 -25.393 7.416 -15.598 1.00 0.00 O ATOM 496 CB LEU A 27 -23.200 5.280 -16.109 1.00 0.00 C ATOM 497 CG LEU A 27 -22.970 6.565 -16.905 1.00 0.00 C ATOM 498 CD1 LEU A 27 -22.572 7.703 -15.979 1.00 0.00 C ATOM 499 CD2 LEU A 27 -21.907 6.348 -17.973 1.00 0.00 C ATOM 0 H LEU A 27 -24.477 3.256 -15.473 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.984 5.743 -14.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.280 5.035 -15.578 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.388 4.469 -16.813 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.903 6.835 -17.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -22.413 8.609 -16.564 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -23.366 7.875 -15.252 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.652 7.442 -15.456 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -21.756 7.273 -18.530 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.971 6.053 -17.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.232 5.563 -18.655 1.00 0.00 H new ATOM 619 N LYS A 35 -19.544 -1.833 -28.073 1.00 0.00 N ATOM 620 CA LYS A 35 -18.561 -2.214 -27.066 1.00 0.00 C ATOM 621 C LYS A 35 -17.351 -1.287 -27.108 1.00 0.00 C ATOM 622 O LYS A 35 -16.670 -1.094 -26.101 1.00 0.00 O ATOM 623 CB LYS A 35 -18.115 -3.662 -27.282 1.00 0.00 C ATOM 624 CG LYS A 35 -18.210 -4.521 -26.033 1.00 0.00 C ATOM 625 CD LYS A 35 -19.643 -4.944 -25.755 1.00 0.00 C ATOM 626 CE LYS A 35 -20.406 -3.867 -25.001 1.00 0.00 C ATOM 627 NZ LYS A 35 -21.286 -3.075 -25.904 1.00 0.00 N ATOM 0 HA LYS A 35 -19.029 -2.126 -26.086 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.726 -4.108 -28.067 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.085 -3.667 -27.638 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.585 -5.406 -26.151 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.821 -3.967 -25.179 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.149 -5.158 -26.696 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.645 -5.867 -25.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.009 -4.329 -24.220 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.700 -3.201 -24.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.953 -2.090 -25.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.259 -3.482 -26.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.262 -3.098 -25.546 1.00 0.00 H new ATOM 641 N GLN A 36 -17.091 -0.714 -28.279 1.00 0.00 N ATOM 642 CA GLN A 36 -15.963 0.194 -28.451 1.00 0.00 C ATOM 643 C GLN A 36 -16.168 1.474 -27.647 1.00 0.00 C ATOM 644 O GLN A 36 -15.289 1.893 -26.894 1.00 0.00 O ATOM 645 CB GLN A 36 -15.774 0.532 -29.931 1.00 0.00 C ATOM 646 CG GLN A 36 -14.464 0.021 -30.509 1.00 0.00 C ATOM 647 CD GLN A 36 -13.252 0.590 -29.799 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.819 -0.081 -28.738 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.710 1.620 -30.199 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.646 -0.862 -29.122 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.067 -0.306 -28.083 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.602 0.110 -30.500 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.820 1.614 -30.057 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.442 -1.067 -30.443 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.414 0.277 -31.567 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.076 2.104 -31.019 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.895 1.990 -29.711 1.00 0.00 H new ATOM 658 N ASP A 37 -17.333 2.091 -27.813 1.00 0.00 N ATOM 659 CA ASP A 37 -17.653 3.324 -27.102 1.00 0.00 C ATOM 660 C ASP A 37 -17.774 3.070 -25.603 1.00 0.00 C ATOM 661 O ASP A 37 -17.216 3.809 -24.790 1.00 0.00 O ATOM 662 CB ASP A 37 -18.955 3.922 -27.637 1.00 0.00 C ATOM 663 CG ASP A 37 -18.737 5.251 -28.335 1.00 0.00 C ATOM 664 OD1 ASP A 37 -17.945 6.068 -27.820 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.359 5.474 -29.395 1.00 0.00 O ATOM 0 H ASP A 37 -18.071 1.758 -28.433 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.841 4.032 -27.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.415 3.220 -28.333 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.655 4.058 -26.813 1.00 0.00 H new ATOM 670 N LEU A 38 -18.507 2.023 -25.242 1.00 0.00 N ATOM 671 CA LEU A 38 -18.703 1.672 -23.840 1.00 0.00 C ATOM 672 C LEU A 38 -17.365 1.460 -23.139 1.00 0.00 C ATOM 673 O LEU A 38 -17.068 2.110 -22.136 1.00 0.00 O ATOM 674 CB LEU A 38 -19.558 0.409 -23.724 1.00 0.00 C ATOM 675 CG LEU A 38 -21.022 0.548 -24.143 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.753 -0.775 -23.975 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.705 1.644 -23.337 1.00 0.00 C ATOM 0 H LEU A 38 -18.976 1.402 -25.901 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.220 2.499 -23.354 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.100 -0.372 -24.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.528 0.068 -22.689 1.00 0.00 H new ATOM 0 HG LEU A 38 -21.054 0.826 -25.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.793 -0.657 -24.278 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -21.278 -1.534 -24.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.712 -1.083 -22.930 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.746 1.729 -23.648 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.662 1.396 -22.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.196 2.593 -23.509 1.00 0.00 H new ATOM 689 N ILE A 39 -16.560 0.549 -23.676 1.00 0.00 N ATOM 690 CA ILE A 39 -15.252 0.255 -23.105 1.00 0.00 C ATOM 691 C ILE A 39 -14.431 1.527 -22.926 1.00 0.00 C ATOM 692 O ILE A 39 -13.949 1.819 -21.831 1.00 0.00 O ATOM 693 CB ILE A 39 -14.462 -0.732 -23.984 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.743 -2.173 -23.551 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.972 -0.433 -23.911 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.129 -3.084 -24.695 1.00 0.00 C ATOM 0 H ILE A 39 -16.791 0.002 -24.505 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.429 -0.200 -22.131 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.786 -0.613 -25.018 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.857 -2.575 -23.060 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.544 -2.172 -22.812 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.428 -1.140 -24.538 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.787 0.582 -24.263 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.632 -0.527 -22.880 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.313 -4.088 -24.314 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.033 -2.706 -25.172 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.319 -3.115 -25.424 1.00 0.00 H new ATOM 708 N ASP A 40 -14.277 2.283 -24.008 1.00 0.00 N ATOM 709 CA ASP A 40 -13.517 3.527 -23.971 1.00 0.00 C ATOM 710 C ASP A 40 -14.087 4.481 -22.926 1.00 0.00 C ATOM 711 O ASP A 40 -13.354 5.261 -22.318 1.00 0.00 O ATOM 712 CB ASP A 40 -13.523 4.194 -25.347 1.00 0.00 C ATOM 713 CG ASP A 40 -12.332 5.110 -25.551 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.199 4.595 -25.652 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.533 6.341 -25.610 1.00 0.00 O ATOM 0 H ASP A 40 -14.669 2.056 -24.922 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.489 3.289 -23.696 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.523 3.426 -26.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.443 4.767 -25.466 1.00 0.00 H new ATOM 720 N ARG A 41 -15.399 4.413 -22.723 1.00 0.00 N ATOM 721 CA ARG A 41 -16.068 5.273 -21.754 1.00 0.00 C ATOM 722 C ARG A 41 -15.727 4.851 -20.328 1.00 0.00 C ATOM 723 O ARG A 41 -15.410 5.687 -19.481 1.00 0.00 O ATOM 724 CB ARG A 41 -17.583 5.229 -21.962 1.00 0.00 C ATOM 725 CG ARG A 41 -18.165 6.538 -22.469 1.00 0.00 C ATOM 726 CD ARG A 41 -17.869 7.686 -21.517 1.00 0.00 C ATOM 727 NE ARG A 41 -19.063 8.470 -21.215 1.00 0.00 N ATOM 728 CZ ARG A 41 -19.090 9.456 -20.326 1.00 0.00 C ATOM 729 NH1 ARG A 41 -17.993 9.777 -19.654 1.00 0.00 N ATOM 730 NH2 ARG A 41 -20.216 10.123 -20.107 1.00 0.00 N ATOM 0 H ARG A 41 -16.020 3.771 -23.217 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.717 6.294 -21.907 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.821 4.436 -22.671 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.064 4.968 -21.019 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.753 6.764 -23.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.243 6.435 -22.592 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.452 7.290 -20.591 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.111 8.335 -21.956 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.924 8.248 -21.715 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.126 9.266 -19.819 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.016 10.535 -18.972 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.062 9.878 -20.622 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.236 10.880 -19.424 1.00 0.00 H new ATOM 744 N VAL A 42 -15.795 3.549 -20.068 1.00 0.00 N ATOM 745 CA VAL A 42 -15.493 3.016 -18.745 1.00 0.00 C ATOM 746 C VAL A 42 -14.086 3.405 -18.304 1.00 0.00 C ATOM 747 O VAL A 42 -13.902 4.030 -17.259 1.00 0.00 O ATOM 748 CB VAL A 42 -15.624 1.482 -18.715 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.106 0.928 -17.396 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.068 1.066 -18.948 1.00 0.00 C ATOM 0 H VAL A 42 -16.057 2.844 -20.757 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.219 3.448 -18.056 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.017 1.067 -19.519 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.206 -0.157 -17.393 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.056 1.196 -17.276 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.684 1.348 -16.573 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.142 -0.021 -18.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.699 1.490 -18.167 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.399 1.430 -19.920 1.00 0.00 H new ATOM 760 N LEU A 43 -13.096 3.030 -19.107 1.00 0.00 N ATOM 761 CA LEU A 43 -11.704 3.340 -18.800 1.00 0.00 C ATOM 762 C LEU A 43 -11.498 4.845 -18.664 1.00 0.00 C ATOM 763 O LEU A 43 -10.780 5.305 -17.777 1.00 0.00 O ATOM 764 CB LEU A 43 -10.786 2.784 -19.890 1.00 0.00 C ATOM 765 CG LEU A 43 -11.122 1.383 -20.401 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.962 0.815 -21.204 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.471 0.462 -19.241 1.00 0.00 C ATOM 0 H LEU A 43 -13.231 2.511 -19.975 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.454 2.871 -17.848 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.803 3.471 -20.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.765 2.774 -19.507 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.990 1.455 -21.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.220 -0.183 -21.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.758 1.463 -22.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.076 0.757 -20.572 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.707 -0.531 -19.623 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.622 0.396 -18.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.334 0.860 -18.707 1.00 0.00 H new ATOM 779 N ALA A 44 -12.135 5.606 -19.547 1.00 0.00 N ATOM 780 CA ALA A 44 -12.025 7.060 -19.523 1.00 0.00 C ATOM 781 C ALA A 44 -12.700 7.641 -18.285 1.00 0.00 C ATOM 782 O ALA A 44 -12.379 8.749 -17.853 1.00 0.00 O ATOM 783 CB ALA A 44 -12.631 7.656 -20.785 1.00 0.00 C ATOM 0 H ALA A 44 -12.733 5.240 -20.288 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.967 7.319 -19.484 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.542 8.742 -20.754 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.102 7.274 -21.658 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.684 7.380 -20.849 1.00 0.00 H new ATOM 789 N LEU A 45 -13.636 6.887 -17.718 1.00 0.00 N ATOM 790 CA LEU A 45 -14.357 7.328 -16.529 1.00 0.00 C ATOM 791 C LEU A 45 -13.528 7.091 -15.271 1.00 0.00 C ATOM 792 O LEU A 45 -13.435 7.960 -14.403 1.00 0.00 O ATOM 793 CB LEU A 45 -15.694 6.594 -16.418 1.00 0.00 C ATOM 794 CG LEU A 45 -15.958 5.875 -15.095 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.307 6.876 -14.004 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.071 4.850 -15.257 1.00 0.00 C ATOM 0 H LEU A 45 -13.913 5.968 -18.062 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.544 8.398 -16.623 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.496 7.314 -16.583 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.752 5.862 -17.224 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.049 5.350 -14.801 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.492 6.346 -13.070 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.478 7.571 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.202 7.429 -14.290 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.245 4.348 -14.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.985 5.352 -15.575 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.782 4.114 -16.007 1.00 0.00 H new ATOM 808 N LEU A 46 -12.925 5.911 -15.179 1.00 0.00 N ATOM 809 CA LEU A 46 -12.101 5.559 -14.028 1.00 0.00 C ATOM 810 C LEU A 46 -10.698 6.141 -14.165 1.00 0.00 C ATOM 811 O LEU A 46 -9.898 6.090 -13.230 1.00 0.00 O ATOM 812 CB LEU A 46 -12.023 4.039 -13.876 1.00 0.00 C ATOM 813 CG LEU A 46 -13.307 3.268 -14.182 1.00 0.00 C ATOM 814 CD1 LEU A 46 -13.018 1.780 -14.313 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.349 3.517 -13.101 1.00 0.00 C ATOM 0 H LEU A 46 -12.991 5.181 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.565 5.983 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.235 3.668 -14.532 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.721 3.811 -12.854 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.705 3.625 -15.132 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.944 1.247 -14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.307 1.617 -15.123 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.596 1.408 -13.379 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.256 2.960 -13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.960 3.188 -12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.578 4.582 -13.055 1.00 0.00 H new ATOM 827 N THR A 47 -10.404 6.696 -15.337 1.00 0.00 N ATOM 828 CA THR A 47 -9.098 7.288 -15.597 1.00 0.00 C ATOM 829 C THR A 47 -9.196 8.805 -15.711 1.00 0.00 C ATOM 830 O THR A 47 -8.599 9.536 -14.920 1.00 0.00 O ATOM 831 CB THR A 47 -8.473 6.727 -16.888 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.376 5.301 -16.805 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.093 7.322 -17.124 1.00 0.00 C ATOM 0 H THR A 47 -11.054 6.748 -16.122 1.00 0.00 H new ATOM 0 HA THR A 47 -8.460 7.030 -14.752 1.00 0.00 H new ATOM 0 HB THR A 47 -9.116 6.999 -17.725 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.168 4.895 -17.215 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.672 6.911 -18.041 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.175 8.405 -17.216 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.443 7.077 -16.284 1.00 0.00 H new ATOM 841 N ASP A 48 -9.951 9.272 -16.699 1.00 0.00 N ATOM 842 CA ASP A 48 -10.128 10.704 -16.915 1.00 0.00 C ATOM 843 C ASP A 48 -11.134 11.283 -15.925 1.00 0.00 C ATOM 844 O ASP A 48 -11.296 12.499 -15.831 1.00 0.00 O ATOM 845 CB ASP A 48 -10.592 10.971 -18.348 1.00 0.00 C ATOM 846 CG ASP A 48 -9.533 11.668 -19.179 1.00 0.00 C ATOM 847 OD1 ASP A 48 -8.384 11.178 -19.209 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.852 12.703 -19.800 1.00 0.00 O ATOM 0 H ASP A 48 -10.450 8.680 -17.363 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.167 11.192 -16.755 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.859 10.027 -18.822 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.494 11.583 -18.327 1.00 0.00 H new ATOM 853 N GLU A 49 -11.807 10.403 -15.191 1.00 0.00 N ATOM 854 CA GLU A 49 -12.799 10.828 -14.209 1.00 0.00 C ATOM 855 C GLU A 49 -12.597 10.102 -12.882 1.00 0.00 C ATOM 856 O GLU A 49 -13.523 9.985 -12.080 1.00 0.00 O ATOM 857 CB GLU A 49 -14.212 10.569 -14.735 1.00 0.00 C ATOM 858 CG GLU A 49 -14.982 11.837 -15.061 1.00 0.00 C ATOM 859 CD GLU A 49 -16.245 11.982 -14.233 1.00 0.00 C ATOM 860 OE1 GLU A 49 -17.060 11.036 -14.225 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.417 13.041 -13.594 1.00 0.00 O ATOM 0 H GLU A 49 -11.684 9.393 -15.257 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.672 11.897 -14.041 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.149 9.952 -15.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.768 9.997 -13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.340 12.701 -14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.244 11.837 -16.119 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.969 5.230 -10.697 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.320 5.773 -11.885 1.00 0.00 C ATOM 1078 C LEU A 63 -19.854 6.089 -11.608 1.00 0.00 C ATOM 1079 O LEU A 63 -19.241 6.903 -12.301 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.046 7.034 -12.356 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.287 8.106 -11.293 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.016 8.902 -11.040 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.422 9.029 -11.714 1.00 0.00 C ATOM 0 HA LEU A 63 -21.368 5.020 -12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.470 7.479 -13.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.010 6.740 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.573 7.612 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.207 9.660 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.230 8.231 -10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.700 9.386 -11.964 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.580 9.786 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.165 9.515 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.335 8.448 -11.843 1.00 0.00 H new ATOM 1095 N THR A 64 -19.295 5.440 -10.592 1.00 0.00 N ATOM 1096 CA THR A 64 -17.901 5.651 -10.224 1.00 0.00 C ATOM 1097 C THR A 64 -17.155 4.326 -10.109 1.00 0.00 C ATOM 1098 O THR A 64 -17.724 3.259 -10.343 1.00 0.00 O ATOM 1099 CB THR A 64 -17.781 6.411 -8.890 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.951 6.193 -8.095 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.597 7.902 -9.132 1.00 0.00 C ATOM 0 H THR A 64 -19.787 4.763 -10.009 1.00 0.00 H new ATOM 0 HA THR A 64 -17.453 6.250 -11.017 1.00 0.00 H new ATOM 0 HB THR A 64 -16.907 6.034 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.866 6.678 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.515 8.418 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.690 8.067 -9.713 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.455 8.290 -9.681 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.879 4.400 -9.747 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.055 3.206 -9.599 1.00 0.00 C ATOM 1111 C LYS A 65 -15.765 2.157 -8.750 1.00 0.00 C ATOM 1112 O LYS A 65 -15.574 0.956 -8.943 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.710 3.565 -8.964 1.00 0.00 C ATOM 1114 CG LYS A 65 -12.816 4.401 -9.865 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.877 5.280 -9.058 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.616 6.446 -8.418 1.00 0.00 C ATOM 1117 NZ LYS A 65 -11.890 6.979 -7.232 1.00 0.00 N ATOM 0 H LYS A 65 -15.393 5.275 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.882 2.789 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.889 4.110 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.187 2.647 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.235 3.745 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.432 5.024 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.395 4.684 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.087 5.660 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.745 7.241 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.613 6.124 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.426 7.772 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.789 6.227 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.948 7.310 -7.522 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.586 2.618 -7.811 1.00 0.00 N ATOM 1132 CA GLU A 66 -17.325 1.717 -6.934 1.00 0.00 C ATOM 1133 C GLU A 66 -18.253 0.813 -7.740 1.00 0.00 C ATOM 1134 O GLU A 66 -18.244 -0.407 -7.576 1.00 0.00 O ATOM 1135 CB GLU A 66 -18.135 2.517 -5.911 1.00 0.00 C ATOM 1136 CG GLU A 66 -17.308 3.527 -5.134 1.00 0.00 C ATOM 1137 CD GLU A 66 -18.163 4.488 -4.331 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.789 4.045 -3.346 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -18.205 5.684 -4.689 1.00 0.00 O ATOM 0 H GLU A 66 -16.756 3.609 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.605 1.091 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.940 3.040 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.602 1.826 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.634 2.998 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.687 4.093 -5.828 1.00 0.00 H new ATOM 1146 N ALA A 67 -19.054 1.421 -8.609 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.987 0.671 -9.442 1.00 0.00 C ATOM 1148 C ALA A 67 -19.245 -0.221 -10.431 1.00 0.00 C ATOM 1149 O ALA A 67 -19.512 -1.419 -10.524 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.917 1.622 -10.180 1.00 0.00 C ATOM 0 H ALA A 67 -19.076 2.430 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.582 0.030 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.608 1.049 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.481 2.213 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.330 2.287 -10.814 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.313 0.371 -11.171 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.532 -0.370 -12.154 1.00 0.00 C ATOM 1158 C VAL A 68 -16.816 -1.552 -11.510 1.00 0.00 C ATOM 1159 O VAL A 68 -16.837 -2.665 -12.035 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.491 0.534 -12.841 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.733 -0.241 -13.909 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.163 1.761 -13.437 1.00 0.00 C ATOM 0 H VAL A 68 -18.080 1.362 -11.108 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.234 -0.738 -12.903 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.774 0.869 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.002 0.414 -14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.220 -1.086 -13.450 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.434 -0.607 -14.660 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.413 2.389 -13.918 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.902 1.449 -14.174 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.656 2.326 -12.646 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.183 -1.302 -10.368 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.463 -2.346 -9.650 1.00 0.00 C ATOM 1174 C ALA A 69 -16.428 -3.331 -8.998 1.00 0.00 C ATOM 1175 O ALA A 69 -16.087 -4.491 -8.767 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.547 -1.731 -8.603 1.00 0.00 C ATOM 0 H ALA A 69 -16.155 -0.386 -9.921 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.857 -2.895 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.016 -2.522 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.827 -1.073 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.141 -1.156 -7.893 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.635 -2.861 -8.703 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.652 -3.699 -8.078 1.00 0.00 C ATOM 1184 C LYS A 70 -19.074 -4.829 -9.011 1.00 0.00 C ATOM 1185 O LYS A 70 -19.104 -5.995 -8.615 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.871 -2.858 -7.694 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.040 -3.680 -7.180 1.00 0.00 C ATOM 1188 CD LYS A 70 -22.267 -2.816 -6.942 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.088 -1.914 -5.730 1.00 0.00 C ATOM 1190 NZ LYS A 70 -22.569 -2.564 -4.480 1.00 0.00 N ATOM 0 H LYS A 70 -17.933 -1.903 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.223 -4.137 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.579 -2.139 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.195 -2.285 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.279 -4.463 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.757 -4.176 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.461 -2.207 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.139 -3.453 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.035 -1.655 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.631 -0.982 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.430 -1.918 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.580 -2.789 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.033 -3.440 -4.316 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.398 -4.477 -10.251 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.815 -5.462 -11.240 1.00 0.00 C ATOM 1206 C ILE A 71 -18.634 -6.304 -11.710 1.00 0.00 C ATOM 1207 O ILE A 71 -18.753 -7.517 -11.886 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.471 -4.791 -12.461 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.440 -3.696 -12.010 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.193 -5.827 -13.311 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.538 -4.199 -11.099 1.00 0.00 C ATOM 0 H ILE A 71 -19.379 -3.517 -10.594 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.547 -6.107 -10.753 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.690 -4.332 -13.067 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.880 -2.916 -11.494 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.891 -3.236 -12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.651 -5.337 -14.170 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.479 -6.575 -13.658 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -21.966 -6.312 -12.715 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.187 -3.369 -10.819 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.123 -4.958 -11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.096 -4.633 -10.202 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.493 -5.653 -11.910 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.288 -6.341 -12.357 1.00 0.00 C ATOM 1225 C VAL A 72 -15.811 -7.348 -11.316 1.00 0.00 C ATOM 1226 O VAL A 72 -15.350 -8.437 -11.656 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.149 -5.346 -12.652 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.826 -6.080 -12.812 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.467 -4.526 -13.893 1.00 0.00 C ATOM 0 H VAL A 72 -17.378 -4.649 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.547 -6.867 -13.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.058 -4.664 -11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.034 -5.361 -13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.595 -6.619 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.900 -6.787 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.652 -3.828 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.586 -5.191 -14.748 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.391 -3.970 -13.735 1.00 0.00 H new ATOM 1239 N ASP A 73 -15.927 -6.976 -10.046 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.510 -7.847 -8.953 1.00 0.00 C ATOM 1241 C ASP A 73 -16.464 -9.027 -8.805 1.00 0.00 C ATOM 1242 O ASP A 73 -16.035 -10.177 -8.711 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.444 -7.060 -7.643 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.212 -6.181 -7.556 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.151 -6.594 -8.070 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.308 -5.080 -6.975 1.00 0.00 O ATOM 0 H ASP A 73 -16.306 -6.077 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.518 -8.233 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.336 -6.440 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.450 -7.756 -6.804 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.760 -8.735 -8.783 1.00 0.00 N ATOM 1252 CA ASP A 74 -18.775 -9.773 -8.646 1.00 0.00 C ATOM 1253 C ASP A 74 -18.771 -10.701 -9.857 1.00 0.00 C ATOM 1254 O ASP A 74 -18.860 -11.921 -9.718 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.159 -9.143 -8.476 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.427 -8.712 -7.047 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.454 -8.404 -6.327 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.610 -8.683 -6.650 1.00 0.00 O ATOM 0 H ASP A 74 -18.132 -7.788 -8.858 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.540 -10.361 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.245 -8.279 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.921 -9.858 -8.786 1.00 0.00 H new ATOM 1263 N THR A 75 -18.668 -10.114 -11.046 1.00 0.00 N ATOM 1264 CA THR A 75 -18.654 -10.888 -12.281 1.00 0.00 C ATOM 1265 C THR A 75 -17.455 -11.827 -12.328 1.00 0.00 C ATOM 1266 O THR A 75 -17.596 -13.016 -12.616 1.00 0.00 O ATOM 1267 CB THR A 75 -18.622 -9.971 -13.518 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.798 -9.155 -13.553 1.00 0.00 O ATOM 1269 CG2 THR A 75 -18.527 -10.789 -14.796 1.00 0.00 C ATOM 0 H THR A 75 -18.593 -9.106 -11.179 1.00 0.00 H new ATOM 0 HA THR A 75 -19.572 -11.475 -12.296 1.00 0.00 H new ATOM 0 HB THR A 75 -17.740 -9.334 -13.448 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.713 -8.430 -12.899 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.506 -10.119 -15.656 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.615 -11.386 -14.779 1.00 0.00 H new ATOM 0 HG23 THR A 75 -19.392 -11.449 -14.871 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.275 -11.288 -12.042 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.050 -12.078 -12.054 1.00 0.00 C ATOM 1279 C TYR A 76 -15.041 -13.087 -10.909 1.00 0.00 C ATOM 1280 O TYR A 76 -14.749 -14.266 -11.108 1.00 0.00 O ATOM 1281 CB TYR A 76 -13.827 -11.165 -11.953 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.625 -11.675 -12.715 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.761 -12.202 -13.994 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.354 -11.629 -12.157 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.666 -12.670 -14.693 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.252 -12.093 -12.850 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.413 -12.613 -14.118 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.320 -13.077 -14.812 1.00 0.00 O ATOM 0 H TYR A 76 -16.141 -10.306 -11.799 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.010 -12.624 -12.996 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.091 -10.176 -12.327 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.558 -11.047 -10.903 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.740 -12.246 -14.449 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.225 -11.224 -11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.790 -13.079 -15.685 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.270 -12.049 -12.402 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.514 -12.964 -14.266 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.365 -12.613 -9.710 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.394 -13.472 -8.532 1.00 0.00 C ATOM 1300 C ARG A 77 -16.279 -14.692 -8.771 1.00 0.00 C ATOM 1301 O ARG A 77 -15.919 -15.813 -8.411 1.00 0.00 O ATOM 1302 CB ARG A 77 -15.901 -12.691 -7.318 1.00 0.00 C ATOM 1303 CG ARG A 77 -16.369 -13.578 -6.176 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.767 -13.199 -5.712 1.00 0.00 C ATOM 1305 NE ARG A 77 -18.685 -13.020 -6.834 1.00 0.00 N ATOM 1306 CZ ARG A 77 -19.963 -12.684 -6.691 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -20.470 -12.492 -5.481 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -20.735 -12.540 -7.760 1.00 0.00 N ATOM 0 H ARG A 77 -15.611 -11.640 -9.529 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.378 -13.814 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.105 -12.039 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.724 -12.048 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.361 -14.620 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.673 -13.496 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.152 -13.974 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.719 -12.278 -5.132 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.326 -13.160 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.879 -12.602 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.451 -12.234 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.348 -12.687 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.716 -12.282 -7.650 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.438 -14.467 -9.380 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.374 -15.546 -9.668 1.00 0.00 C ATOM 1324 C LYS A 78 -17.945 -16.322 -10.910 1.00 0.00 C ATOM 1325 O LYS A 78 -18.285 -17.494 -11.069 1.00 0.00 O ATOM 1326 CB LYS A 78 -19.785 -14.987 -9.866 1.00 0.00 C ATOM 1327 CG LYS A 78 -20.761 -15.991 -10.453 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.202 -15.562 -10.233 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.080 -15.926 -11.421 1.00 0.00 C ATOM 1330 NZ LYS A 78 -24.460 -16.293 -10.999 1.00 0.00 N ATOM 0 H LYS A 78 -17.752 -13.545 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.376 -16.227 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.167 -14.640 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.733 -14.118 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.572 -16.102 -11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.598 -16.968 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.591 -16.038 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -22.241 -14.485 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.123 -15.084 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.632 -16.760 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -25.027 -16.534 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.421 -17.112 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.897 -15.489 -10.505 1.00 0.00 H new ATOM 1344 N MET A 79 -17.196 -15.660 -11.786 1.00 0.00 N ATOM 1345 CA MET A 79 -16.719 -16.289 -13.012 1.00 0.00 C ATOM 1346 C MET A 79 -15.847 -17.500 -12.698 1.00 0.00 C ATOM 1347 O MET A 79 -16.116 -18.607 -13.165 1.00 0.00 O ATOM 1348 CB MET A 79 -15.930 -15.283 -13.853 1.00 0.00 C ATOM 1349 CG MET A 79 -15.406 -15.860 -15.158 1.00 0.00 C ATOM 1350 SD MET A 79 -16.638 -15.833 -16.474 1.00 0.00 S ATOM 1351 CE MET A 79 -16.375 -14.195 -17.150 1.00 0.00 C ATOM 0 H MET A 79 -16.907 -14.689 -11.670 1.00 0.00 H new ATOM 0 HA MET A 79 -17.587 -16.625 -13.579 1.00 0.00 H new ATOM 0 HB2 MET A 79 -16.568 -14.427 -14.074 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.090 -14.911 -13.266 1.00 0.00 H new ATOM 0 HG2 MET A 79 -14.530 -15.295 -15.475 1.00 0.00 H new ATOM 0 HG3 MET A 79 -15.080 -16.887 -14.992 1.00 0.00 H new ATOM 0 HE1 MET A 79 -16.687 -14.178 -18.194 1.00 0.00 H new ATOM 0 HE2 MET A 79 -16.960 -13.470 -16.585 1.00 0.00 H new ATOM 0 HE3 MET A 79 -15.318 -13.939 -17.083 1.00 0.00 H new