USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 772 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 59 GLN : amide:sc= 0.736 K(o=0.78,f=-5.4!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.0404 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.212 K(o=0.45,f=-0.058) USER MOD Set 2.2: A 7 TYR OH : rot 61:sc= 0.233 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 0.0281 (180deg=-0.0466) USER MOD Single : A 11 SER OG : rot 34:sc= 0.0766 USER MOD Single : A 14 MET CE :methyl 173:sc= 0 (180deg=-0.0816) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= 0.0808 USER MOD Single : A 17 SER OG : rot -84:sc= 0.799 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0869) USER MOD Single : A 23 MET CE :methyl 134:sc=-0.00463 (180deg=-0.95) USER MOD Single : A 26 GLN : amide:sc= -0.51 K(o=-0.51,f=-4.5!) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0318) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0435 X(o=0.044,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -161:sc= 0 (180deg=-0.181) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0.0333 (180deg=0.0328) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0487) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 -4.965 13.612 8.047 1.00 0.00 N ATOM 36 CA LYS A 3 -4.746 12.196 7.720 1.00 0.00 C ATOM 37 C LYS A 3 -4.021 11.972 6.392 1.00 0.00 C ATOM 38 O LYS A 3 -4.124 12.746 5.441 1.00 0.00 O ATOM 39 CB LYS A 3 -6.031 11.364 7.688 1.00 0.00 C ATOM 40 CG LYS A 3 -6.702 11.245 9.058 1.00 0.00 C ATOM 41 CD LYS A 3 -7.595 10.004 9.077 1.00 0.00 C ATOM 42 CE LYS A 3 -8.331 9.829 10.407 1.00 0.00 C ATOM 43 NZ LYS A 3 -9.069 8.558 10.386 1.00 0.00 N ATOM 0 HA LYS A 3 -4.113 11.859 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.731 11.815 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.802 10.366 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.947 11.176 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.294 12.137 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.324 10.073 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.987 9.120 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.621 9.837 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.018 10.660 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.572 8.433 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.756 8.568 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.402 7.772 10.250 1.00 0.00 H new ATOM 57 N LYS A 4 -3.237 10.898 6.405 1.00 0.00 N ATOM 58 CA LYS A 4 -2.511 10.430 5.215 1.00 0.00 C ATOM 59 C LYS A 4 -3.077 9.117 4.671 1.00 0.00 C ATOM 60 O LYS A 4 -3.527 8.250 5.419 1.00 0.00 O ATOM 61 CB LYS A 4 -1.020 10.288 5.525 1.00 0.00 C ATOM 62 CG LYS A 4 -0.177 11.479 5.062 1.00 0.00 C ATOM 63 CD LYS A 4 -0.486 12.784 5.797 1.00 0.00 C ATOM 64 CE LYS A 4 0.314 13.968 5.251 1.00 0.00 C ATOM 65 NZ LYS A 4 -0.136 14.349 3.905 1.00 0.00 N ATOM 0 H LYS A 4 -3.083 10.325 7.235 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.643 11.181 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.892 10.160 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.644 9.382 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.878 11.239 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.335 11.629 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.551 13.000 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.267 12.660 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.211 14.819 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.373 13.710 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.331 15.234 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.109 13.596 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.167 14.487 3.910 1.00 0.00 H new ATOM 79 N HIS A 5 -3.060 9.025 3.344 1.00 0.00 N ATOM 80 CA HIS A 5 -3.624 7.898 2.586 1.00 0.00 C ATOM 81 C HIS A 5 -2.539 6.931 2.106 1.00 0.00 C ATOM 82 O HIS A 5 -1.624 7.276 1.362 1.00 0.00 O ATOM 83 CB HIS A 5 -4.462 8.401 1.409 1.00 0.00 C ATOM 84 CG HIS A 5 -5.786 9.028 1.854 1.00 0.00 C ATOM 85 ND1 HIS A 5 -6.959 8.406 1.932 1.00 0.00 N ATOM 86 CD2 HIS A 5 -5.986 10.380 2.101 1.00 0.00 C ATOM 87 CE1 HIS A 5 -7.833 9.372 2.199 1.00 0.00 C ATOM 88 NE2 HIS A 5 -7.283 10.578 2.315 1.00 0.00 N ATOM 0 H HIS A 5 -2.647 9.743 2.748 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.274 7.345 3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.887 9.137 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.667 7.571 0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.219 11.140 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.892 9.194 2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.753 11.459 2.522 1.00 0.00 H new ATOM 96 N ILE A 6 -2.650 5.713 2.630 1.00 0.00 N ATOM 97 CA ILE A 6 -1.763 4.582 2.323 1.00 0.00 C ATOM 98 C ILE A 6 -2.623 3.538 1.607 1.00 0.00 C ATOM 99 O ILE A 6 -3.435 2.840 2.213 1.00 0.00 O ATOM 100 CB ILE A 6 -1.127 4.032 3.601 1.00 0.00 C ATOM 101 CG1 ILE A 6 -0.321 5.119 4.316 1.00 0.00 C ATOM 102 CG2 ILE A 6 -0.256 2.814 3.291 1.00 0.00 C ATOM 103 CD1 ILE A 6 0.038 4.795 5.767 1.00 0.00 C ATOM 0 H ILE A 6 -3.380 5.473 3.301 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.933 4.883 1.685 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.925 3.712 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.599 5.296 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.891 6.048 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.187 2.439 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.869 2.034 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.536 3.100 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.608 5.620 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.875 4.648 6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.637 3.885 5.799 1.00 0.00 H new ATOM 115 N TYR A 7 -2.450 3.488 0.289 1.00 0.00 N ATOM 116 CA TYR A 7 -3.227 2.571 -0.559 1.00 0.00 C ATOM 117 C TYR A 7 -2.371 1.441 -1.135 1.00 0.00 C ATOM 118 O TYR A 7 -1.291 1.641 -1.690 1.00 0.00 O ATOM 119 CB TYR A 7 -3.961 3.307 -1.681 1.00 0.00 C ATOM 120 CG TYR A 7 -5.022 4.337 -1.290 1.00 0.00 C ATOM 121 CD1 TYR A 7 -5.666 4.359 -0.058 1.00 0.00 C ATOM 122 CD2 TYR A 7 -5.363 5.240 -2.291 1.00 0.00 C ATOM 123 CE1 TYR A 7 -6.670 5.291 0.174 1.00 0.00 C ATOM 124 CE2 TYR A 7 -6.363 6.178 -2.067 1.00 0.00 C ATOM 125 CZ TYR A 7 -7.010 6.183 -0.837 1.00 0.00 C ATOM 126 OH TYR A 7 -8.117 6.958 -0.695 1.00 0.00 O ATOM 0 H TYR A 7 -1.782 4.067 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.973 2.121 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.214 3.813 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.439 2.559 -2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.388 3.656 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.851 5.212 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.179 5.322 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.632 6.889 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.014 7.535 0.091 1.00 0.00 H new ATOM 136 N LEU A 8 -2.879 0.236 -0.895 1.00 0.00 N ATOM 137 CA LEU A 8 -2.276 -1.026 -1.345 1.00 0.00 C ATOM 138 C LEU A 8 -3.014 -1.538 -2.584 1.00 0.00 C ATOM 139 O LEU A 8 -4.241 -1.485 -2.658 1.00 0.00 O ATOM 140 CB LEU A 8 -2.311 -2.092 -0.248 1.00 0.00 C ATOM 141 CG LEU A 8 -1.241 -1.927 0.834 1.00 0.00 C ATOM 142 CD1 LEU A 8 -1.577 -0.792 1.802 1.00 0.00 C ATOM 143 CD2 LEU A 8 -1.092 -3.230 1.622 1.00 0.00 C ATOM 0 H LEU A 8 -3.743 0.101 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.232 -0.829 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.293 -2.076 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.195 -3.073 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.306 -1.680 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.792 -0.710 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.652 0.146 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.528 -1.002 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.329 -3.105 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.043 -3.482 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.798 -4.033 0.946 1.00 0.00 H new ATOM 155 N PHE A 9 -2.216 -1.926 -3.575 1.00 0.00 N ATOM 156 CA PHE A 9 -2.729 -2.397 -4.868 1.00 0.00 C ATOM 157 C PHE A 9 -2.192 -3.769 -5.279 1.00 0.00 C ATOM 158 O PHE A 9 -1.014 -4.090 -5.130 1.00 0.00 O ATOM 159 CB PHE A 9 -2.443 -1.385 -5.980 1.00 0.00 C ATOM 160 CG PHE A 9 -3.277 -0.109 -5.851 1.00 0.00 C ATOM 161 CD1 PHE A 9 -2.760 0.978 -5.155 1.00 0.00 C ATOM 162 CD2 PHE A 9 -4.488 -0.005 -6.525 1.00 0.00 C ATOM 163 CE1 PHE A 9 -3.444 2.188 -5.154 1.00 0.00 C ATOM 164 CE2 PHE A 9 -5.184 1.199 -6.510 1.00 0.00 C ATOM 165 CZ PHE A 9 -4.649 2.292 -5.839 1.00 0.00 C ATOM 0 H PHE A 9 -1.198 -1.925 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.805 -2.500 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.385 -1.125 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.643 -1.848 -6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.829 0.882 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.887 -0.855 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.043 3.040 -4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.134 1.284 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.176 3.234 -5.850 1.00 0.00 H new ATOM 190 N SER A 11 -4.122 -7.268 -7.979 1.00 0.00 N ATOM 191 CA SER A 11 -5.106 -7.614 -9.014 1.00 0.00 C ATOM 192 C SER A 11 -6.567 -7.599 -8.560 1.00 0.00 C ATOM 193 O SER A 11 -7.442 -7.052 -9.230 1.00 0.00 O ATOM 194 CB SER A 11 -4.782 -8.999 -9.577 1.00 0.00 C ATOM 195 OG SER A 11 -3.469 -9.033 -10.141 1.00 0.00 O ATOM 0 HA SER A 11 -5.019 -6.830 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.860 -9.744 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.515 -9.266 -10.339 1.00 0.00 H new ATOM 0 HG SER A 11 -2.877 -8.446 -9.627 1.00 0.00 H new ATOM 201 N ALA A 12 -6.836 -8.197 -7.402 1.00 0.00 N ATOM 202 CA ALA A 12 -8.210 -8.313 -6.891 1.00 0.00 C ATOM 203 C ALA A 12 -8.555 -7.439 -5.683 1.00 0.00 C ATOM 204 O ALA A 12 -9.725 -7.133 -5.464 1.00 0.00 O ATOM 205 CB ALA A 12 -8.479 -9.789 -6.592 1.00 0.00 C ATOM 0 H ALA A 12 -6.126 -8.610 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.864 -7.927 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.494 -9.904 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.367 -10.372 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.768 -10.144 -5.846 1.00 0.00 H new ATOM 211 N GLY A 13 -7.538 -7.046 -4.920 1.00 0.00 N ATOM 212 CA GLY A 13 -7.679 -6.226 -3.708 1.00 0.00 C ATOM 213 C GLY A 13 -8.272 -6.957 -2.502 1.00 0.00 C ATOM 214 O GLY A 13 -8.750 -6.314 -1.568 1.00 0.00 O ATOM 0 H GLY A 13 -6.570 -7.291 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.698 -5.838 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.308 -5.367 -3.939 1.00 0.00 H new ATOM 218 N MET A 14 -8.150 -8.281 -2.482 1.00 0.00 N ATOM 219 CA MET A 14 -8.744 -9.107 -1.421 1.00 0.00 C ATOM 220 C MET A 14 -7.760 -9.917 -0.573 1.00 0.00 C ATOM 221 O MET A 14 -7.985 -10.058 0.627 1.00 0.00 O ATOM 222 CB MET A 14 -9.854 -10.014 -1.958 1.00 0.00 C ATOM 223 CG MET A 14 -9.396 -10.984 -3.050 1.00 0.00 C ATOM 224 SD MET A 14 -10.678 -12.188 -3.558 1.00 0.00 S ATOM 225 CE MET A 14 -11.906 -11.125 -4.286 1.00 0.00 C ATOM 0 H MET A 14 -7.643 -8.813 -3.190 1.00 0.00 H new ATOM 0 HA MET A 14 -9.167 -8.370 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 14 -10.272 -10.587 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.657 -9.392 -2.353 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.083 -10.411 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 14 -8.521 -11.528 -2.695 1.00 0.00 H new ATOM 0 HE1 MET A 14 -12.684 -11.732 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.347 -10.496 -3.513 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.439 -10.495 -5.043 1.00 0.00 H new ATOM 235 N SER A 15 -6.697 -10.463 -1.159 1.00 0.00 N ATOM 236 CA SER A 15 -5.649 -11.171 -0.411 1.00 0.00 C ATOM 237 C SER A 15 -4.877 -10.239 0.525 1.00 0.00 C ATOM 238 O SER A 15 -4.454 -10.628 1.612 1.00 0.00 O ATOM 239 CB SER A 15 -4.659 -11.849 -1.361 1.00 0.00 C ATOM 240 OG SER A 15 -5.361 -12.728 -2.245 1.00 0.00 O ATOM 0 H SER A 15 -6.534 -10.430 -2.165 1.00 0.00 H new ATOM 0 HA SER A 15 -6.158 -11.924 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.118 -11.097 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.918 -12.408 -0.790 1.00 0.00 H new ATOM 0 HG SER A 15 -4.724 -13.159 -2.852 1.00 0.00 H new ATOM 246 N THR A 16 -4.784 -8.972 0.126 1.00 0.00 N ATOM 247 CA THR A 16 -4.190 -7.871 0.897 1.00 0.00 C ATOM 248 C THR A 16 -5.023 -7.415 2.098 1.00 0.00 C ATOM 249 O THR A 16 -4.450 -6.908 3.062 1.00 0.00 O ATOM 250 CB THR A 16 -4.007 -6.661 -0.021 1.00 0.00 C ATOM 251 OG1 THR A 16 -5.224 -6.502 -0.754 1.00 0.00 O ATOM 252 CG2 THR A 16 -2.790 -6.805 -0.937 1.00 0.00 C ATOM 0 H THR A 16 -5.134 -8.667 -0.782 1.00 0.00 H new ATOM 0 HA THR A 16 -3.247 -8.257 1.284 1.00 0.00 H new ATOM 0 HB THR A 16 -3.804 -5.767 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.094 -5.839 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.703 -5.921 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.889 -6.908 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.909 -7.689 -1.564 1.00 0.00 H new ATOM 260 N SER A 17 -6.319 -7.711 2.125 1.00 0.00 N ATOM 261 CA SER A 17 -7.241 -7.140 3.118 1.00 0.00 C ATOM 262 C SER A 17 -6.945 -7.512 4.572 1.00 0.00 C ATOM 263 O SER A 17 -7.099 -6.682 5.466 1.00 0.00 O ATOM 264 CB SER A 17 -8.692 -7.506 2.800 1.00 0.00 C ATOM 265 OG SER A 17 -8.911 -8.892 3.074 1.00 0.00 O ATOM 0 H SER A 17 -6.764 -8.349 1.466 1.00 0.00 H new ATOM 0 HA SER A 17 -7.083 -6.065 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.370 -6.896 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.910 -7.294 1.753 1.00 0.00 H new ATOM 0 HG SER A 17 -8.633 -9.426 2.301 1.00 0.00 H new ATOM 271 N LEU A 18 -6.467 -8.732 4.802 1.00 0.00 N ATOM 272 CA LEU A 18 -6.047 -9.192 6.134 1.00 0.00 C ATOM 273 C LEU A 18 -4.823 -8.425 6.637 1.00 0.00 C ATOM 274 O LEU A 18 -4.780 -7.974 7.780 1.00 0.00 O ATOM 275 CB LEU A 18 -5.806 -10.703 6.151 1.00 0.00 C ATOM 276 CG LEU A 18 -5.180 -11.224 7.447 1.00 0.00 C ATOM 277 CD1 LEU A 18 -6.121 -11.138 8.649 1.00 0.00 C ATOM 278 CD2 LEU A 18 -4.712 -12.669 7.259 1.00 0.00 C ATOM 0 H LEU A 18 -6.357 -9.436 4.072 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.865 -8.981 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.756 -11.213 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.157 -10.965 5.316 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.330 -10.577 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.616 -11.523 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.404 -10.099 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.015 -11.731 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.268 -13.031 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.564 -13.296 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.970 -12.710 6.461 1.00 0.00 H new ATOM 290 N LEU A 19 -3.851 -8.251 5.746 1.00 0.00 N ATOM 291 CA LEU A 19 -2.636 -7.470 6.019 1.00 0.00 C ATOM 292 C LEU A 19 -2.975 -6.008 6.314 1.00 0.00 C ATOM 293 O LEU A 19 -2.533 -5.468 7.326 1.00 0.00 O ATOM 294 CB LEU A 19 -1.709 -7.614 4.811 1.00 0.00 C ATOM 295 CG LEU A 19 -0.237 -7.385 5.159 1.00 0.00 C ATOM 296 CD1 LEU A 19 0.638 -8.060 4.101 1.00 0.00 C ATOM 297 CD2 LEU A 19 0.129 -5.900 5.199 1.00 0.00 C ATOM 0 H LEU A 19 -3.879 -8.648 4.807 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.133 -7.846 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.826 -8.611 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.010 -6.903 4.042 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.069 -7.806 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.689 -7.901 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.428 -9.129 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.422 -7.631 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.184 -5.792 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.059 -5.452 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.477 -5.396 5.952 1.00 0.00 H new ATOM 309 N VAL A 20 -3.921 -5.465 5.552 1.00 0.00 N ATOM 310 CA VAL A 20 -4.465 -4.112 5.738 1.00 0.00 C ATOM 311 C VAL A 20 -5.126 -4.006 7.114 1.00 0.00 C ATOM 312 O VAL A 20 -4.903 -3.031 7.830 1.00 0.00 O ATOM 313 CB VAL A 20 -5.461 -3.785 4.625 1.00 0.00 C ATOM 314 CG1 VAL A 20 -6.195 -2.454 4.810 1.00 0.00 C ATOM 315 CG2 VAL A 20 -4.736 -3.698 3.279 1.00 0.00 C ATOM 0 H VAL A 20 -4.344 -5.961 4.768 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.653 -3.387 5.687 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.193 -4.592 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.882 -2.299 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.756 -2.475 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.471 -1.640 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.454 -3.465 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.979 -2.915 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.257 -4.653 3.061 1.00 0.00 H new ATOM 325 N SER A 21 -5.914 -5.016 7.473 1.00 0.00 N ATOM 326 CA SER A 21 -6.606 -5.078 8.769 1.00 0.00 C ATOM 327 C SER A 21 -5.647 -5.037 9.959 1.00 0.00 C ATOM 328 O SER A 21 -5.848 -4.295 10.920 1.00 0.00 O ATOM 329 CB SER A 21 -7.460 -6.346 8.844 1.00 0.00 C ATOM 330 OG SER A 21 -8.166 -6.387 10.087 1.00 0.00 O ATOM 0 H SER A 21 -6.095 -5.821 6.874 1.00 0.00 H new ATOM 0 HA SER A 21 -7.237 -4.191 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.166 -6.368 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.826 -7.228 8.747 1.00 0.00 H new ATOM 0 HG SER A 21 -8.711 -7.200 10.127 1.00 0.00 H new ATOM 336 N LYS A 22 -4.528 -5.744 9.823 1.00 0.00 N ATOM 337 CA LYS A 22 -3.464 -5.785 10.837 1.00 0.00 C ATOM 338 C LYS A 22 -2.753 -4.445 11.042 1.00 0.00 C ATOM 339 O LYS A 22 -2.498 -4.046 12.177 1.00 0.00 O ATOM 340 CB LYS A 22 -2.427 -6.852 10.483 1.00 0.00 C ATOM 341 CG LYS A 22 -2.904 -8.258 10.854 1.00 0.00 C ATOM 342 CD LYS A 22 -1.909 -9.314 10.366 1.00 0.00 C ATOM 343 CE LYS A 22 -2.134 -10.686 11.004 1.00 0.00 C ATOM 344 NZ LYS A 22 -1.683 -10.670 12.402 1.00 0.00 N ATOM 0 H LYS A 22 -4.327 -6.312 9.000 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.963 -6.030 11.775 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.214 -6.811 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.493 -6.637 11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.021 -8.334 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.884 -8.443 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.987 -9.406 9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.895 -8.979 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.191 -10.949 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.591 -11.449 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.664 -11.642 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.728 -10.261 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.337 -10.096 12.971 1.00 0.00 H new ATOM 358 N MET A 23 -2.432 -3.784 9.934 1.00 0.00 N ATOM 359 CA MET A 23 -1.801 -2.458 9.989 1.00 0.00 C ATOM 360 C MET A 23 -2.773 -1.315 10.296 1.00 0.00 C ATOM 361 O MET A 23 -2.362 -0.301 10.857 1.00 0.00 O ATOM 362 CB MET A 23 -0.925 -2.130 8.779 1.00 0.00 C ATOM 363 CG MET A 23 -1.562 -2.346 7.404 1.00 0.00 C ATOM 364 SD MET A 23 -0.372 -2.289 6.015 1.00 0.00 S ATOM 365 CE MET A 23 0.070 -0.568 5.905 1.00 0.00 C ATOM 0 H MET A 23 -2.595 -4.137 8.991 1.00 0.00 H new ATOM 0 HA MET A 23 -1.131 -2.538 10.845 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.615 -1.088 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.021 -2.736 8.837 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.067 -3.312 7.397 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.326 -1.585 7.246 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.152 -0.476 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.412 -0.124 5.034 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.259 -0.050 6.806 1.00 0.00 H new ATOM 375 N ARG A 24 -4.059 -1.538 10.043 1.00 0.00 N ATOM 376 CA ARG A 24 -5.150 -0.677 10.524 1.00 0.00 C ATOM 377 C ARG A 24 -5.290 -0.746 12.046 1.00 0.00 C ATOM 378 O ARG A 24 -5.098 0.272 12.709 1.00 0.00 O ATOM 379 CB ARG A 24 -6.507 -1.051 9.925 1.00 0.00 C ATOM 380 CG ARG A 24 -6.862 -0.266 8.660 1.00 0.00 C ATOM 381 CD ARG A 24 -8.319 -0.540 8.281 1.00 0.00 C ATOM 382 NE ARG A 24 -8.754 0.284 7.144 1.00 0.00 N ATOM 383 CZ ARG A 24 -9.918 0.189 6.488 1.00 0.00 C ATOM 384 NH1 ARG A 24 -10.850 -0.711 6.833 1.00 0.00 N ATOM 385 NH2 ARG A 24 -10.145 0.978 5.429 1.00 0.00 N ATOM 0 H ARG A 24 -4.384 -2.332 9.491 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.878 0.329 10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.510 -2.116 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.282 -0.885 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.713 0.801 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.202 -0.555 7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.437 -1.594 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.961 -0.342 9.139 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.104 1.001 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.682 -1.346 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.727 -0.761 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.434 1.645 5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.029 0.912 4.924 1.00 0.00 H new ATOM 399 N ALA A 25 -5.263 -1.970 12.567 1.00 0.00 N ATOM 400 CA ALA A 25 -5.367 -2.227 14.010 1.00 0.00 C ATOM 401 C ALA A 25 -4.177 -1.674 14.797 1.00 0.00 C ATOM 402 O ALA A 25 -4.304 -1.205 15.927 1.00 0.00 O ATOM 403 CB ALA A 25 -5.486 -3.741 14.199 1.00 0.00 C ATOM 0 H ALA A 25 -5.168 -2.816 12.004 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.244 -1.712 14.402 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.565 -3.970 15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.375 -4.103 13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.603 -4.230 13.788 1.00 0.00 H new ATOM 409 N GLN A 26 -2.999 -1.755 14.185 1.00 0.00 N ATOM 410 CA GLN A 26 -1.774 -1.177 14.757 1.00 0.00 C ATOM 411 C GLN A 26 -1.715 0.346 14.621 1.00 0.00 C ATOM 412 O GLN A 26 -1.279 1.011 15.559 1.00 0.00 O ATOM 413 CB GLN A 26 -0.527 -1.821 14.147 1.00 0.00 C ATOM 414 CG GLN A 26 -0.314 -3.278 14.563 1.00 0.00 C ATOM 415 CD GLN A 26 0.194 -3.472 15.993 1.00 0.00 C ATOM 416 OE1 GLN A 26 -0.196 -2.827 16.966 1.00 0.00 O ATOM 417 NE2 GLN A 26 1.106 -4.416 16.206 1.00 0.00 N ATOM 0 H GLN A 26 -2.861 -2.218 13.286 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.799 -1.398 15.824 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.599 -1.771 13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.348 -1.239 14.436 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.257 -3.814 14.452 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.396 -3.737 13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.455 -4.973 15.426 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.456 -4.583 17.149 1.00 0.00 H new ATOM 426 N ALA A 27 -2.274 0.886 13.542 1.00 0.00 N ATOM 427 CA ALA A 27 -2.452 2.335 13.375 1.00 0.00 C ATOM 428 C ALA A 27 -3.395 2.906 14.437 1.00 0.00 C ATOM 429 O ALA A 27 -3.111 3.965 14.994 1.00 0.00 O ATOM 430 CB ALA A 27 -3.017 2.634 11.985 1.00 0.00 C ATOM 0 H ALA A 27 -2.618 0.336 12.755 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.476 2.807 13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.146 3.710 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.327 2.267 11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.981 2.138 11.870 1.00 0.00 H new ATOM 436 N GLU A 28 -4.417 2.130 14.789 1.00 0.00 N ATOM 437 CA GLU A 28 -5.384 2.455 15.846 1.00 0.00 C ATOM 438 C GLU A 28 -4.732 2.412 17.229 1.00 0.00 C ATOM 439 O GLU A 28 -4.857 3.363 18.000 1.00 0.00 O ATOM 440 CB GLU A 28 -6.532 1.443 15.791 1.00 0.00 C ATOM 441 CG GLU A 28 -7.444 1.646 14.579 1.00 0.00 C ATOM 442 CD GLU A 28 -8.370 0.458 14.306 1.00 0.00 C ATOM 443 OE1 GLU A 28 -9.137 0.092 15.222 1.00 0.00 O ATOM 444 OE2 GLU A 28 -8.334 -0.022 13.153 1.00 0.00 O ATOM 0 H GLU A 28 -4.604 1.234 14.339 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.756 3.466 15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.120 0.434 15.765 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.124 1.522 16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.049 2.539 14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.829 1.827 13.698 1.00 0.00 H new ATOM 451 N LYS A 29 -3.909 1.392 17.456 1.00 0.00 N ATOM 452 CA LYS A 29 -3.167 1.214 18.712 1.00 0.00 C ATOM 453 C LYS A 29 -2.171 2.352 18.949 1.00 0.00 C ATOM 454 O LYS A 29 -2.078 2.872 20.060 1.00 0.00 O ATOM 455 CB LYS A 29 -2.453 -0.139 18.687 1.00 0.00 C ATOM 456 CG LYS A 29 -1.709 -0.400 19.999 1.00 0.00 C ATOM 457 CD LYS A 29 -0.958 -1.733 20.002 1.00 0.00 C ATOM 458 CE LYS A 29 -0.072 -1.893 21.240 1.00 0.00 C ATOM 459 NZ LYS A 29 -0.873 -1.931 22.472 1.00 0.00 N ATOM 0 H LYS A 29 -3.733 0.657 16.771 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.875 1.237 19.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.180 -0.933 18.515 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.749 -0.166 17.856 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.002 0.410 20.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.422 -0.388 20.824 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.675 -2.553 19.962 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.343 -1.804 19.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.512 -2.810 21.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.637 -1.067 21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.252 -2.125 23.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.345 -1.014 22.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.589 -2.681 22.397 1.00 0.00 H new ATOM 473 N TYR A 30 -1.339 2.608 17.943 1.00 0.00 N ATOM 474 CA TYR A 30 -0.269 3.612 18.019 1.00 0.00 C ATOM 475 C TYR A 30 -0.721 5.036 17.687 1.00 0.00 C ATOM 476 O TYR A 30 0.112 5.901 17.418 1.00 0.00 O ATOM 477 CB TYR A 30 0.899 3.171 17.134 1.00 0.00 C ATOM 478 CG TYR A 30 1.622 1.934 17.674 1.00 0.00 C ATOM 479 CD1 TYR A 30 2.287 1.991 18.893 1.00 0.00 C ATOM 480 CD2 TYR A 30 1.510 0.742 16.969 1.00 0.00 C ATOM 481 CE1 TYR A 30 2.824 0.828 19.434 1.00 0.00 C ATOM 482 CE2 TYR A 30 2.045 -0.425 17.503 1.00 0.00 C ATOM 483 CZ TYR A 30 2.685 -0.366 18.736 1.00 0.00 C ATOM 484 OH TYR A 30 3.091 -1.527 19.315 1.00 0.00 O ATOM 0 H TYR A 30 -1.384 2.125 17.046 1.00 0.00 H new ATOM 0 HA TYR A 30 0.051 3.662 19.060 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.529 2.960 16.131 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.611 3.992 17.045 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.386 2.931 19.416 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.010 0.722 16.012 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.341 0.852 20.382 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.965 -1.361 16.970 1.00 0.00 H new ATOM 0 HH TYR A 30 2.927 -2.273 18.702 1.00 0.00 H new ATOM 494 N GLU A 31 -2.036 5.224 17.617 1.00 0.00 N ATOM 495 CA GLU A 31 -2.722 6.514 17.453 1.00 0.00 C ATOM 496 C GLU A 31 -2.187 7.323 16.270 1.00 0.00 C ATOM 497 O GLU A 31 -2.043 8.544 16.282 1.00 0.00 O ATOM 498 CB GLU A 31 -2.666 7.294 18.769 1.00 0.00 C ATOM 499 CG GLU A 31 -3.351 6.571 19.930 1.00 0.00 C ATOM 500 CD GLU A 31 -3.172 7.262 21.284 1.00 0.00 C ATOM 501 OE1 GLU A 31 -3.370 8.494 21.355 1.00 0.00 O ATOM 502 OE2 GLU A 31 -2.865 6.534 22.253 1.00 0.00 O ATOM 0 H GLU A 31 -2.691 4.444 17.676 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.766 6.317 17.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.624 7.479 19.030 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.137 8.267 18.627 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.416 6.486 19.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.958 5.557 19.996 1.00 0.00 H new ATOM 509 N VAL A 32 -2.143 6.623 15.140 1.00 0.00 N ATOM 510 CA VAL A 32 -1.624 7.118 13.856 1.00 0.00 C ATOM 511 C VAL A 32 -2.819 7.481 12.972 1.00 0.00 C ATOM 512 O VAL A 32 -3.531 6.596 12.500 1.00 0.00 O ATOM 513 CB VAL A 32 -0.738 6.070 13.180 1.00 0.00 C ATOM 514 CG1 VAL A 32 -0.062 6.625 11.925 1.00 0.00 C ATOM 515 CG2 VAL A 32 0.364 5.532 14.095 1.00 0.00 C ATOM 0 H VAL A 32 -2.478 5.661 15.085 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.002 7.998 14.020 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.418 5.258 12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.559 5.851 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.823 6.942 11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.561 7.478 12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.956 4.793 13.555 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.008 6.353 14.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.086 5.066 14.972 1.00 0.00 H new ATOM 525 N PRO A 33 -3.028 8.763 12.688 1.00 0.00 N ATOM 526 CA PRO A 33 -4.134 9.199 11.823 1.00 0.00 C ATOM 527 C PRO A 33 -3.846 8.978 10.336 1.00 0.00 C ATOM 528 O PRO A 33 -3.413 9.861 9.596 1.00 0.00 O ATOM 529 CB PRO A 33 -4.358 10.667 12.187 1.00 0.00 C ATOM 530 CG PRO A 33 -2.977 11.144 12.644 1.00 0.00 C ATOM 531 CD PRO A 33 -2.373 9.914 13.325 1.00 0.00 C ATOM 0 HA PRO A 33 -5.036 8.609 11.988 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.717 11.241 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.100 10.774 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.369 11.474 11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.052 11.986 13.332 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.292 9.878 13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.557 9.928 14.399 1.00 0.00 H new ATOM 539 N VAL A 34 -4.195 7.769 9.907 1.00 0.00 N ATOM 540 CA VAL A 34 -4.038 7.282 8.529 1.00 0.00 C ATOM 541 C VAL A 34 -5.220 6.426 8.070 1.00 0.00 C ATOM 542 O VAL A 34 -5.998 5.915 8.875 1.00 0.00 O ATOM 543 CB VAL A 34 -2.738 6.503 8.311 1.00 0.00 C ATOM 544 CG1 VAL A 34 -1.520 7.428 8.364 1.00 0.00 C ATOM 545 CG2 VAL A 34 -2.546 5.346 9.292 1.00 0.00 C ATOM 0 H VAL A 34 -4.610 7.073 10.526 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.001 8.186 7.922 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.826 6.069 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.613 6.845 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.605 8.186 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.474 7.913 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.605 4.840 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.527 5.732 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.370 4.640 9.187 1.00 0.00 H new ATOM 555 N ILE A 35 -5.416 6.458 6.755 1.00 0.00 N ATOM 556 CA ILE A 35 -6.408 5.651 6.030 1.00 0.00 C ATOM 557 C ILE A 35 -5.651 4.641 5.164 1.00 0.00 C ATOM 558 O ILE A 35 -5.020 4.985 4.165 1.00 0.00 O ATOM 559 CB ILE A 35 -7.357 6.544 5.227 1.00 0.00 C ATOM 560 CG1 ILE A 35 -8.173 7.415 6.183 1.00 0.00 C ATOM 561 CG2 ILE A 35 -8.295 5.715 4.346 1.00 0.00 C ATOM 562 CD1 ILE A 35 -8.930 8.578 5.540 1.00 0.00 C ATOM 0 H ILE A 35 -4.874 7.064 6.139 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.046 5.102 6.723 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.757 7.177 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.892 6.779 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.501 7.818 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.955 6.381 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.707 5.120 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.892 5.053 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.474 9.128 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.222 9.246 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.635 8.191 4.804 1.00 0.00 H new ATOM 574 N ILE A 36 -5.695 3.400 5.637 1.00 0.00 N ATOM 575 CA ILE A 36 -5.049 2.265 4.961 1.00 0.00 C ATOM 576 C ILE A 36 -6.146 1.425 4.304 1.00 0.00 C ATOM 577 O ILE A 36 -7.024 0.902 4.990 1.00 0.00 O ATOM 578 CB ILE A 36 -4.210 1.431 5.931 1.00 0.00 C ATOM 579 CG1 ILE A 36 -3.242 2.309 6.726 1.00 0.00 C ATOM 580 CG2 ILE A 36 -3.448 0.356 5.152 1.00 0.00 C ATOM 581 CD1 ILE A 36 -2.740 1.670 8.023 1.00 0.00 C ATOM 0 H ILE A 36 -6.178 3.146 6.499 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.356 2.632 4.204 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.878 0.952 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.385 2.549 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.735 3.251 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.850 -0.239 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.157 -0.291 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.793 0.831 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.059 2.356 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.587 1.456 8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.216 0.743 7.793 1.00 0.00 H new ATOM 593 N GLU A 37 -6.061 1.318 2.982 1.00 0.00 N ATOM 594 CA GLU A 37 -7.113 0.715 2.150 1.00 0.00 C ATOM 595 C GLU A 37 -6.556 0.042 0.894 1.00 0.00 C ATOM 596 O GLU A 37 -5.602 0.509 0.272 1.00 0.00 O ATOM 597 CB GLU A 37 -8.080 1.832 1.755 1.00 0.00 C ATOM 598 CG GLU A 37 -9.551 1.431 1.888 1.00 0.00 C ATOM 599 CD GLU A 37 -10.481 2.629 1.688 1.00 0.00 C ATOM 600 OE1 GLU A 37 -10.228 3.671 2.331 1.00 0.00 O ATOM 601 OE2 GLU A 37 -11.496 2.444 0.983 1.00 0.00 O ATOM 0 H GLU A 37 -5.257 1.648 2.448 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.612 -0.067 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.890 2.705 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.882 2.127 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.786 0.660 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.723 0.997 2.873 1.00 0.00 H new ATOM 608 N ALA A 38 -7.148 -1.115 0.612 1.00 0.00 N ATOM 609 CA ALA A 38 -6.757 -1.958 -0.528 1.00 0.00 C ATOM 610 C ALA A 38 -7.747 -1.872 -1.693 1.00 0.00 C ATOM 611 O ALA A 38 -8.958 -1.802 -1.489 1.00 0.00 O ATOM 612 CB ALA A 38 -6.608 -3.412 -0.077 1.00 0.00 C ATOM 0 H ALA A 38 -7.914 -1.500 1.164 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.801 -1.581 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.318 -4.029 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.842 -3.477 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.557 -3.768 0.323 1.00 0.00 H new ATOM 618 N PHE A 39 -7.173 -1.807 -2.890 1.00 0.00 N ATOM 619 CA PHE A 39 -7.906 -1.660 -4.156 1.00 0.00 C ATOM 620 C PHE A 39 -7.329 -2.526 -5.279 1.00 0.00 C ATOM 621 O PHE A 39 -6.131 -2.808 -5.260 1.00 0.00 O ATOM 622 CB PHE A 39 -7.863 -0.199 -4.607 1.00 0.00 C ATOM 623 CG PHE A 39 -8.576 0.787 -3.678 1.00 0.00 C ATOM 624 CD1 PHE A 39 -9.943 0.991 -3.826 1.00 0.00 C ATOM 625 CD2 PHE A 39 -7.840 1.539 -2.770 1.00 0.00 C ATOM 626 CE1 PHE A 39 -10.587 1.950 -3.053 1.00 0.00 C ATOM 627 CE2 PHE A 39 -8.480 2.502 -1.998 1.00 0.00 C ATOM 628 CZ PHE A 39 -9.848 2.698 -2.143 1.00 0.00 C ATOM 0 H PHE A 39 -6.162 -1.856 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.928 -1.988 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.821 0.105 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.309 -0.128 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.503 0.406 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.778 1.376 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.650 2.112 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.918 3.094 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.345 3.443 -1.539 1.00 0.00 H new ATOM 638 N PRO A 40 -8.144 -2.949 -6.241 1.00 0.00 N ATOM 639 CA PRO A 40 -7.648 -3.576 -7.475 1.00 0.00 C ATOM 640 C PRO A 40 -6.853 -2.606 -8.352 1.00 0.00 C ATOM 641 O PRO A 40 -7.083 -1.398 -8.353 1.00 0.00 O ATOM 642 CB PRO A 40 -8.871 -4.133 -8.209 1.00 0.00 C ATOM 643 CG PRO A 40 -10.062 -3.419 -7.567 1.00 0.00 C ATOM 644 CD PRO A 40 -9.602 -3.107 -6.142 1.00 0.00 C ATOM 0 HA PRO A 40 -6.944 -4.372 -7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.817 -3.932 -9.279 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.946 -5.214 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.318 -2.509 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.950 -4.051 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.073 -2.199 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.866 -3.912 -5.456 1.00 0.00 H new ATOM 652 N GLU A 41 -5.946 -3.194 -9.127 1.00 0.00 N ATOM 653 CA GLU A 41 -4.968 -2.490 -9.968 1.00 0.00 C ATOM 654 C GLU A 41 -5.581 -1.575 -11.031 1.00 0.00 C ATOM 655 O GLU A 41 -4.971 -0.589 -11.443 1.00 0.00 O ATOM 656 CB GLU A 41 -3.993 -3.484 -10.601 1.00 0.00 C ATOM 657 CG GLU A 41 -4.420 -4.159 -11.906 1.00 0.00 C ATOM 658 CD GLU A 41 -5.483 -5.254 -11.788 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.654 -4.895 -11.538 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.110 -6.410 -12.082 1.00 0.00 O ATOM 0 H GLU A 41 -5.864 -4.209 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.430 -1.823 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.053 -2.963 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.787 -4.266 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.795 -3.390 -12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.535 -4.591 -12.373 1.00 0.00 H new ATOM 667 N THR A 42 -6.830 -1.847 -11.401 1.00 0.00 N ATOM 668 CA THR A 42 -7.633 -1.049 -12.339 1.00 0.00 C ATOM 669 C THR A 42 -7.859 0.394 -11.881 1.00 0.00 C ATOM 670 O THR A 42 -7.854 1.321 -12.689 1.00 0.00 O ATOM 671 CB THR A 42 -9.003 -1.698 -12.549 1.00 0.00 C ATOM 672 OG1 THR A 42 -9.614 -1.938 -11.279 1.00 0.00 O ATOM 673 CG2 THR A 42 -8.900 -2.985 -13.369 1.00 0.00 C ATOM 0 H THR A 42 -7.334 -2.659 -11.045 1.00 0.00 H new ATOM 0 HA THR A 42 -7.058 -1.021 -13.265 1.00 0.00 H new ATOM 0 HB THR A 42 -9.629 -1.013 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.492 -2.352 -11.412 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.893 -3.416 -13.496 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.474 -2.760 -14.347 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.260 -3.697 -12.849 1.00 0.00 H new ATOM 681 N LEU A 43 -7.856 0.577 -10.564 1.00 0.00 N ATOM 682 CA LEU A 43 -8.059 1.879 -9.914 1.00 0.00 C ATOM 683 C LEU A 43 -6.756 2.556 -9.480 1.00 0.00 C ATOM 684 O LEU A 43 -6.755 3.524 -8.720 1.00 0.00 O ATOM 685 CB LEU A 43 -8.968 1.679 -8.700 1.00 0.00 C ATOM 686 CG LEU A 43 -10.374 1.205 -9.071 1.00 0.00 C ATOM 687 CD1 LEU A 43 -11.115 0.753 -7.811 1.00 0.00 C ATOM 688 CD2 LEU A 43 -11.190 2.307 -9.750 1.00 0.00 C ATOM 0 H LEU A 43 -7.710 -0.185 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.516 2.543 -10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.512 0.951 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.041 2.618 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.263 0.378 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.116 0.416 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.570 -0.066 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.188 1.587 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.181 1.927 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.285 3.158 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.686 2.623 -10.663 1.00 0.00 H new ATOM 700 N ALA A 44 -5.658 2.117 -10.087 1.00 0.00 N ATOM 701 CA ALA A 44 -4.309 2.611 -9.776 1.00 0.00 C ATOM 702 C ALA A 44 -4.096 4.086 -10.122 1.00 0.00 C ATOM 703 O ALA A 44 -3.626 4.841 -9.272 1.00 0.00 O ATOM 704 CB ALA A 44 -3.246 1.760 -10.475 1.00 0.00 C ATOM 0 H ALA A 44 -5.673 1.403 -10.815 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.207 2.524 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.255 2.143 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.328 0.726 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.397 1.804 -11.554 1.00 0.00 H new ATOM 710 N GLY A 45 -4.543 4.498 -11.306 1.00 0.00 N ATOM 711 CA GLY A 45 -4.488 5.903 -11.734 1.00 0.00 C ATOM 712 C GLY A 45 -5.433 6.778 -10.909 1.00 0.00 C ATOM 713 O GLY A 45 -5.010 7.692 -10.204 1.00 0.00 O ATOM 0 H GLY A 45 -4.954 3.872 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.468 6.275 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.753 5.974 -12.789 1.00 0.00 H new ATOM 717 N GLU A 46 -6.680 6.316 -10.858 1.00 0.00 N ATOM 718 CA GLU A 46 -7.813 7.049 -10.277 1.00 0.00 C ATOM 719 C GLU A 46 -7.626 7.353 -8.790 1.00 0.00 C ATOM 720 O GLU A 46 -7.413 8.502 -8.405 1.00 0.00 O ATOM 721 CB GLU A 46 -9.065 6.213 -10.555 1.00 0.00 C ATOM 722 CG GLU A 46 -10.363 7.001 -10.367 1.00 0.00 C ATOM 723 CD GLU A 46 -11.539 6.218 -10.956 1.00 0.00 C ATOM 724 OE1 GLU A 46 -11.772 6.393 -12.172 1.00 0.00 O ATOM 725 OE2 GLU A 46 -12.163 5.472 -10.172 1.00 0.00 O ATOM 0 H GLU A 46 -6.942 5.402 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.901 8.033 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.022 5.832 -11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.072 5.348 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.534 7.188 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.282 7.973 -10.854 1.00 0.00 H new ATOM 732 N LYS A 47 -7.466 6.298 -7.997 1.00 0.00 N ATOM 733 CA LYS A 47 -7.256 6.420 -6.547 1.00 0.00 C ATOM 734 C LYS A 47 -5.830 6.795 -6.138 1.00 0.00 C ATOM 735 O LYS A 47 -5.655 7.497 -5.143 1.00 0.00 O ATOM 736 CB LYS A 47 -7.652 5.144 -5.803 1.00 0.00 C ATOM 737 CG LYS A 47 -9.162 4.974 -5.620 1.00 0.00 C ATOM 738 CD LYS A 47 -9.760 6.113 -4.792 1.00 0.00 C ATOM 739 CE LYS A 47 -11.249 5.879 -4.528 1.00 0.00 C ATOM 740 NZ LYS A 47 -11.776 7.096 -3.894 1.00 0.00 N ATOM 0 H LYS A 47 -7.477 5.335 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.907 7.246 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.263 4.283 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.175 5.144 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.646 4.940 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.365 4.022 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.228 6.196 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.625 7.058 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.776 5.671 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.393 5.015 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.790 6.974 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.270 7.270 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.641 7.906 -4.532 1.00 0.00 H new ATOM 754 N GLY A 48 -4.868 6.486 -7.003 1.00 0.00 N ATOM 755 CA GLY A 48 -3.449 6.810 -6.800 1.00 0.00 C ATOM 756 C GLY A 48 -3.170 8.313 -6.716 1.00 0.00 C ATOM 757 O GLY A 48 -2.292 8.753 -5.976 1.00 0.00 O ATOM 0 H GLY A 48 -5.049 5.996 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.104 6.333 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.867 6.386 -7.619 1.00 0.00 H new ATOM 761 N GLN A 49 -4.000 9.097 -7.397 1.00 0.00 N ATOM 762 CA GLN A 49 -3.959 10.565 -7.355 1.00 0.00 C ATOM 763 C GLN A 49 -4.271 11.156 -5.979 1.00 0.00 C ATOM 764 O GLN A 49 -3.689 12.165 -5.583 1.00 0.00 O ATOM 765 CB GLN A 49 -4.938 11.134 -8.385 1.00 0.00 C ATOM 766 CG GLN A 49 -4.378 10.980 -9.800 1.00 0.00 C ATOM 767 CD GLN A 49 -5.404 11.436 -10.839 1.00 0.00 C ATOM 768 OE1 GLN A 49 -5.649 12.623 -11.046 1.00 0.00 O ATOM 769 NE2 GLN A 49 -6.035 10.483 -11.521 1.00 0.00 N ATOM 0 H GLN A 49 -4.733 8.730 -8.004 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.933 10.849 -7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.895 10.619 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.125 12.187 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.465 11.567 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.109 9.939 -9.979 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.823 9.502 -11.341 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.730 10.734 -12.224 1.00 0.00 H new ATOM 778 N ASN A 50 -5.090 10.434 -5.219 1.00 0.00 N ATOM 779 CA ASN A 50 -5.423 10.782 -3.830 1.00 0.00 C ATOM 780 C ASN A 50 -4.807 9.811 -2.821 1.00 0.00 C ATOM 781 O ASN A 50 -5.329 9.586 -1.729 1.00 0.00 O ATOM 782 CB ASN A 50 -6.943 10.854 -3.675 1.00 0.00 C ATOM 783 CG ASN A 50 -7.518 12.052 -4.433 1.00 0.00 C ATOM 784 OD1 ASN A 50 -7.371 13.208 -4.040 1.00 0.00 O ATOM 785 ND2 ASN A 50 -8.163 11.821 -5.573 1.00 0.00 N ATOM 0 H ASN A 50 -5.548 9.583 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.991 11.759 -3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.394 9.934 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.201 10.930 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.533 12.601 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.288 10.864 -5.904 1.00 0.00 H new ATOM 792 N ALA A 51 -3.658 9.267 -3.212 1.00 0.00 N ATOM 793 CA ALA A 51 -2.781 8.483 -2.330 1.00 0.00 C ATOM 794 C ALA A 51 -1.489 9.263 -2.070 1.00 0.00 C ATOM 795 O ALA A 51 -1.016 10.000 -2.933 1.00 0.00 O ATOM 796 CB ALA A 51 -2.420 7.144 -2.975 1.00 0.00 C ATOM 0 H ALA A 51 -3.300 9.356 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.311 8.300 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.771 6.581 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.330 6.574 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.902 7.322 -3.917 1.00 0.00 H new ATOM 802 N ASP A 52 -1.032 9.179 -0.824 1.00 0.00 N ATOM 803 CA ASP A 52 0.288 9.693 -0.433 1.00 0.00 C ATOM 804 C ASP A 52 1.359 8.673 -0.827 1.00 0.00 C ATOM 805 O ASP A 52 2.210 9.005 -1.650 1.00 0.00 O ATOM 806 CB ASP A 52 0.372 10.057 1.051 1.00 0.00 C ATOM 807 CG ASP A 52 -0.386 11.344 1.379 1.00 0.00 C ATOM 808 OD1 ASP A 52 0.205 12.437 1.240 1.00 0.00 O ATOM 809 OD2 ASP A 52 -1.522 11.217 1.885 1.00 0.00 O ATOM 0 H ASP A 52 -1.557 8.757 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 52 0.460 10.627 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.032 9.239 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.418 10.172 1.336 1.00 0.00 H new ATOM 814 N VAL A 53 1.158 7.410 -0.459 1.00 0.00 N ATOM 815 CA VAL A 53 2.016 6.315 -0.932 1.00 0.00 C ATOM 816 C VAL A 53 1.165 5.165 -1.475 1.00 0.00 C ATOM 817 O VAL A 53 0.076 4.870 -0.985 1.00 0.00 O ATOM 818 CB VAL A 53 3.009 5.880 0.147 1.00 0.00 C ATOM 819 CG1 VAL A 53 2.342 5.218 1.356 1.00 0.00 C ATOM 820 CG2 VAL A 53 4.093 4.973 -0.437 1.00 0.00 C ATOM 0 H VAL A 53 0.408 7.114 0.166 1.00 0.00 H new ATOM 0 HA VAL A 53 2.623 6.674 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 53 3.473 6.795 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.104 4.934 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.645 5.919 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.801 4.329 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.785 4.679 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.631 4.083 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.636 5.510 -1.215 1.00 0.00 H new ATOM 830 N VAL A 54 1.682 4.603 -2.564 1.00 0.00 N ATOM 831 CA VAL A 54 1.131 3.431 -3.258 1.00 0.00 C ATOM 832 C VAL A 54 2.098 2.264 -3.046 1.00 0.00 C ATOM 833 O VAL A 54 3.288 2.344 -3.343 1.00 0.00 O ATOM 834 CB VAL A 54 0.955 3.761 -4.742 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.524 2.561 -5.587 1.00 0.00 C ATOM 836 CG2 VAL A 54 -0.096 4.856 -4.936 1.00 0.00 C ATOM 0 H VAL A 54 2.528 4.961 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 54 0.152 3.156 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 54 1.939 4.089 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.419 2.868 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.277 1.776 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.431 2.183 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.203 5.073 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.052 4.518 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.218 5.758 -4.411 1.00 0.00 H new ATOM 846 N LEU A 55 1.537 1.208 -2.464 1.00 0.00 N ATOM 847 CA LEU A 55 2.280 -0.026 -2.171 1.00 0.00 C ATOM 848 C LEU A 55 1.737 -1.237 -2.933 1.00 0.00 C ATOM 849 O LEU A 55 0.627 -1.722 -2.721 1.00 0.00 O ATOM 850 CB LEU A 55 2.289 -0.303 -0.666 1.00 0.00 C ATOM 851 CG LEU A 55 3.162 0.687 0.108 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.886 0.508 1.602 1.00 0.00 C ATOM 853 CD2 LEU A 55 4.658 0.496 -0.152 1.00 0.00 C ATOM 0 H LEU A 55 0.558 1.178 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 55 3.303 0.133 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.269 -0.257 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.650 -1.316 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 55 2.906 1.691 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.500 1.206 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.833 0.703 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.129 -0.513 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.224 1.227 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.954 -0.510 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.863 0.634 -1.214 1.00 0.00 H new ATOM 865 N LEU A 56 2.617 -1.729 -3.801 1.00 0.00 N ATOM 866 CA LEU A 56 2.336 -2.837 -4.725 1.00 0.00 C ATOM 867 C LEU A 56 2.645 -4.199 -4.101 1.00 0.00 C ATOM 868 O LEU A 56 3.660 -4.386 -3.433 1.00 0.00 O ATOM 869 CB LEU A 56 3.207 -2.733 -5.979 1.00 0.00 C ATOM 870 CG LEU A 56 3.054 -1.409 -6.729 1.00 0.00 C ATOM 871 CD1 LEU A 56 4.243 -1.209 -7.670 1.00 0.00 C ATOM 872 CD2 LEU A 56 1.769 -1.378 -7.560 1.00 0.00 C ATOM 0 H LEU A 56 3.566 -1.365 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 56 1.275 -2.761 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.252 -2.861 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.957 -3.552 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 56 3.012 -0.613 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.131 -0.265 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.166 -1.191 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.281 -2.028 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.694 -0.422 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.788 -2.187 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.908 -1.503 -6.903 1.00 0.00 H new ATOM 884 N GLY A 57 1.744 -5.135 -4.385 1.00 0.00 N ATOM 885 CA GLY A 57 1.944 -6.569 -4.127 1.00 0.00 C ATOM 886 C GLY A 57 3.117 -7.093 -4.956 1.00 0.00 C ATOM 887 O GLY A 57 3.218 -6.723 -6.125 1.00 0.00 O ATOM 0 H GLY A 57 0.840 -4.922 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.136 -6.732 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.038 -7.121 -4.375 1.00 0.00 H new ATOM 891 N PRO A 58 3.955 -7.975 -4.417 1.00 0.00 N ATOM 892 CA PRO A 58 5.120 -8.498 -5.145 1.00 0.00 C ATOM 893 C PRO A 58 4.780 -9.207 -6.457 1.00 0.00 C ATOM 894 O PRO A 58 5.554 -9.167 -7.412 1.00 0.00 O ATOM 895 CB PRO A 58 5.846 -9.420 -4.164 1.00 0.00 C ATOM 896 CG PRO A 58 4.790 -9.776 -3.115 1.00 0.00 C ATOM 897 CD PRO A 58 3.910 -8.526 -3.054 1.00 0.00 C ATOM 0 HA PRO A 58 5.750 -7.670 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.224 -10.312 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.703 -8.921 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.217 -10.656 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.243 -9.995 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.890 -8.773 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.288 -7.810 -2.324 1.00 0.00 H new ATOM 905 N GLN A 59 3.556 -9.721 -6.552 1.00 0.00 N ATOM 906 CA GLN A 59 2.994 -10.332 -7.764 1.00 0.00 C ATOM 907 C GLN A 59 2.814 -9.367 -8.937 1.00 0.00 C ATOM 908 O GLN A 59 3.067 -9.744 -10.080 1.00 0.00 O ATOM 909 CB GLN A 59 1.668 -11.042 -7.482 1.00 0.00 C ATOM 910 CG GLN A 59 0.613 -10.217 -6.742 1.00 0.00 C ATOM 911 CD GLN A 59 0.653 -10.435 -5.228 1.00 0.00 C ATOM 912 OE1 GLN A 59 1.699 -10.490 -4.584 1.00 0.00 O ATOM 913 NE2 GLN A 59 -0.523 -10.458 -4.606 1.00 0.00 N ATOM 0 H GLN A 59 2.905 -9.726 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 59 3.746 -11.061 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.245 -11.370 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.875 -11.939 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.767 -9.160 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.376 -10.478 -7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.387 -10.412 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.561 -10.522 -3.589 1.00 0.00 H new ATOM 922 N ILE A 60 2.544 -8.100 -8.636 1.00 0.00 N ATOM 923 CA ILE A 60 2.395 -7.066 -9.670 1.00 0.00 C ATOM 924 C ILE A 60 3.526 -6.035 -9.617 1.00 0.00 C ATOM 925 O ILE A 60 3.439 -4.939 -10.168 1.00 0.00 O ATOM 926 CB ILE A 60 1.025 -6.386 -9.640 1.00 0.00 C ATOM 927 CG1 ILE A 60 0.748 -5.662 -8.321 1.00 0.00 C ATOM 928 CG2 ILE A 60 -0.073 -7.399 -9.970 1.00 0.00 C ATOM 929 CD1 ILE A 60 -0.227 -4.497 -8.506 1.00 0.00 C ATOM 0 H ILE A 60 2.423 -7.758 -7.683 1.00 0.00 H new ATOM 0 HA ILE A 60 2.465 -7.588 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 60 1.029 -5.611 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.338 -6.368 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.685 -5.290 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.044 -6.904 -9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.099 -7.811 -10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.058 -8.204 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.397 -4.009 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.194 -3.778 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.173 -4.873 -8.895 1.00 0.00 H new ATOM 941 N ALA A 61 4.670 -6.485 -9.111 1.00 0.00 N ATOM 942 CA ALA A 61 5.885 -5.667 -8.985 1.00 0.00 C ATOM 943 C ALA A 61 6.505 -5.287 -10.332 1.00 0.00 C ATOM 944 O ALA A 61 7.063 -4.200 -10.479 1.00 0.00 O ATOM 945 CB ALA A 61 6.928 -6.425 -8.161 1.00 0.00 C ATOM 0 H ALA A 61 4.787 -7.439 -8.771 1.00 0.00 H new ATOM 0 HA ALA A 61 5.585 -4.742 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.829 -5.818 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.527 -6.634 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.173 -7.364 -8.658 1.00 0.00 H new ATOM 951 N TYR A 62 6.308 -6.152 -11.322 1.00 0.00 N ATOM 952 CA TYR A 62 6.733 -5.889 -12.704 1.00 0.00 C ATOM 953 C TYR A 62 6.003 -4.703 -13.340 1.00 0.00 C ATOM 954 O TYR A 62 6.529 -4.088 -14.267 1.00 0.00 O ATOM 955 CB TYR A 62 6.583 -7.153 -13.555 1.00 0.00 C ATOM 956 CG TYR A 62 5.141 -7.545 -13.885 1.00 0.00 C ATOM 957 CD1 TYR A 62 4.364 -8.204 -12.939 1.00 0.00 C ATOM 958 CD2 TYR A 62 4.650 -7.233 -15.146 1.00 0.00 C ATOM 959 CE1 TYR A 62 3.051 -8.531 -13.255 1.00 0.00 C ATOM 960 CE2 TYR A 62 3.341 -7.572 -15.472 1.00 0.00 C ATOM 961 CZ TYR A 62 2.560 -8.212 -14.517 1.00 0.00 C ATOM 962 OH TYR A 62 1.280 -8.555 -14.821 1.00 0.00 O ATOM 0 H TYR A 62 5.851 -7.055 -11.195 1.00 0.00 H new ATOM 0 HA TYR A 62 7.786 -5.609 -12.666 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.127 -7.011 -14.489 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.058 -7.983 -13.032 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.775 -8.458 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.279 -6.732 -15.867 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.421 -9.026 -12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.939 -7.342 -16.448 1.00 0.00 H new ATOM 0 HH TYR A 62 1.073 -8.269 -15.735 1.00 0.00 H new ATOM 972 N MET A 63 4.833 -4.352 -12.815 1.00 0.00 N ATOM 973 CA MET A 63 4.081 -3.171 -13.259 1.00 0.00 C ATOM 974 C MET A 63 4.426 -1.879 -12.515 1.00 0.00 C ATOM 975 O MET A 63 3.782 -0.854 -12.735 1.00 0.00 O ATOM 976 CB MET A 63 2.581 -3.451 -13.147 1.00 0.00 C ATOM 977 CG MET A 63 2.065 -4.307 -14.306 1.00 0.00 C ATOM 978 SD MET A 63 0.261 -4.184 -14.587 1.00 0.00 S ATOM 979 CE MET A 63 -0.412 -4.866 -13.088 1.00 0.00 C ATOM 0 H MET A 63 4.375 -4.875 -12.069 1.00 0.00 H new ATOM 0 HA MET A 63 4.373 -2.999 -14.295 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.377 -3.958 -12.204 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.037 -2.506 -13.125 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.584 -4.013 -15.218 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.321 -5.349 -14.115 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.448 -5.160 -13.255 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.170 -5.739 -12.792 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.371 -4.117 -12.297 1.00 0.00 H new ATOM 989 N LEU A 64 5.521 -1.873 -11.760 1.00 0.00 N ATOM 990 CA LEU A 64 6.080 -0.641 -11.185 1.00 0.00 C ATOM 991 C LEU A 64 6.374 0.418 -12.250 1.00 0.00 C ATOM 992 O LEU A 64 5.720 1.455 -12.144 1.00 0.00 O ATOM 993 CB LEU A 64 7.275 -0.968 -10.288 1.00 0.00 C ATOM 994 CG LEU A 64 7.942 0.307 -9.768 1.00 0.00 C ATOM 995 CD1 LEU A 64 7.187 0.922 -8.588 1.00 0.00 C ATOM 996 CD2 LEU A 64 9.408 0.070 -9.399 1.00 0.00 C ATOM 0 H LEU A 64 6.048 -2.715 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 64 5.324 -0.182 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.946 -1.578 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.001 -1.560 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 64 7.907 1.023 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.702 1.824 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.173 1.176 -8.897 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.148 0.205 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.846 0.999 -9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.469 -0.690 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.955 -0.268 -10.279 1.00 0.00 H new ATOM 1008 N PRO A 65 7.076 0.157 -13.348 1.00 0.00 N ATOM 1009 CA PRO A 65 7.301 1.169 -14.389 1.00 0.00 C ATOM 1010 C PRO A 65 6.023 1.707 -15.037 1.00 0.00 C ATOM 1011 O PRO A 65 5.939 2.908 -15.292 1.00 0.00 O ATOM 1012 CB PRO A 65 8.208 0.515 -15.433 1.00 0.00 C ATOM 1013 CG PRO A 65 8.026 -0.987 -15.204 1.00 0.00 C ATOM 1014 CD PRO A 65 7.784 -1.084 -13.697 1.00 0.00 C ATOM 0 HA PRO A 65 7.755 2.048 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.920 0.801 -16.445 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.248 0.815 -15.300 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.185 -1.382 -15.773 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.908 -1.550 -15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.188 -1.962 -13.448 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.723 -1.170 -13.151 1.00 0.00 H new ATOM 1022 N GLU A 66 4.978 0.885 -15.078 1.00 0.00 N ATOM 1023 CA GLU A 66 3.690 1.271 -15.672 1.00 0.00 C ATOM 1024 C GLU A 66 2.835 2.165 -14.772 1.00 0.00 C ATOM 1025 O GLU A 66 2.295 3.183 -15.202 1.00 0.00 O ATOM 1026 CB GLU A 66 2.895 0.019 -16.050 1.00 0.00 C ATOM 1027 CG GLU A 66 3.396 -0.664 -17.325 1.00 0.00 C ATOM 1028 CD GLU A 66 3.048 0.164 -18.564 1.00 0.00 C ATOM 1029 OE1 GLU A 66 1.891 0.055 -19.024 1.00 0.00 O ATOM 1030 OE2 GLU A 66 3.889 0.992 -18.975 1.00 0.00 O ATOM 0 H GLU A 66 4.994 -0.064 -14.704 1.00 0.00 H new ATOM 0 HA GLU A 66 3.930 1.860 -16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.940 -0.692 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.847 0.290 -16.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.476 -0.803 -17.267 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.951 -1.656 -17.409 1.00 0.00 H new ATOM 1037 N ILE A 67 2.785 1.803 -13.493 1.00 0.00 N ATOM 1038 CA ILE A 67 2.041 2.526 -12.451 1.00 0.00 C ATOM 1039 C ILE A 67 2.775 3.798 -12.016 1.00 0.00 C ATOM 1040 O ILE A 67 2.136 4.816 -11.758 1.00 0.00 O ATOM 1041 CB ILE A 67 1.710 1.555 -11.317 1.00 0.00 C ATOM 1042 CG1 ILE A 67 0.658 0.588 -11.865 1.00 0.00 C ATOM 1043 CG2 ILE A 67 1.216 2.258 -10.051 1.00 0.00 C ATOM 1044 CD1 ILE A 67 0.308 -0.620 -10.991 1.00 0.00 C ATOM 0 H ILE A 67 3.271 0.979 -13.138 1.00 0.00 H new ATOM 0 HA ILE A 67 1.092 2.892 -12.842 1.00 0.00 H new ATOM 0 HB ILE A 67 2.613 1.029 -11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.257 1.151 -12.049 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.005 0.220 -12.830 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.998 1.515 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.986 2.939 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.311 2.822 -10.277 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.448 -1.225 -11.492 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.202 -1.221 -10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.080 -0.275 -10.032 1.00 0.00 H new ATOM 1056 N GLN A 68 4.103 3.767 -12.069 1.00 0.00 N ATOM 1057 CA GLN A 68 4.938 4.956 -11.847 1.00 0.00 C ATOM 1058 C GLN A 68 4.851 5.923 -13.029 1.00 0.00 C ATOM 1059 O GLN A 68 4.879 7.139 -12.841 1.00 0.00 O ATOM 1060 CB GLN A 68 6.376 4.485 -11.623 1.00 0.00 C ATOM 1061 CG GLN A 68 7.261 5.613 -11.089 1.00 0.00 C ATOM 1062 CD GLN A 68 8.300 5.058 -10.112 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.129 4.204 -10.417 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.227 5.552 -8.879 1.00 0.00 N ATOM 0 H GLN A 68 4.636 2.920 -12.267 1.00 0.00 H new ATOM 0 HA GLN A 68 4.583 5.501 -10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.381 3.653 -10.919 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.788 4.112 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.762 6.114 -11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.646 6.361 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.529 6.260 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.870 5.222 -8.159 1.00 0.00 H new ATOM 1073 N ARG A 69 4.647 5.391 -14.231 1.00 0.00 N ATOM 1074 CA ARG A 69 4.374 6.202 -15.426 1.00 0.00 C ATOM 1075 C ARG A 69 3.044 6.943 -15.272 1.00 0.00 C ATOM 1076 O ARG A 69 2.908 8.090 -15.696 1.00 0.00 O ATOM 1077 CB ARG A 69 4.315 5.269 -16.637 1.00 0.00 C ATOM 1078 CG ARG A 69 4.447 6.022 -17.962 1.00 0.00 C ATOM 1079 CD ARG A 69 3.664 5.331 -19.079 1.00 0.00 C ATOM 1080 NE ARG A 69 2.231 5.619 -18.920 1.00 0.00 N ATOM 1081 CZ ARG A 69 1.260 4.738 -18.646 1.00 0.00 C ATOM 1082 NH1 ARG A 69 1.494 3.431 -18.462 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -0.006 5.174 -18.597 1.00 0.00 N ATOM 0 H ARG A 69 4.665 4.387 -14.410 1.00 0.00 H new ATOM 0 HA ARG A 69 5.163 6.942 -15.559 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.113 4.530 -16.562 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.372 4.723 -16.625 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.084 7.043 -17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.499 6.089 -18.241 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.011 5.680 -20.051 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.836 4.255 -19.047 1.00 0.00 H new ATOM 0 HE ARG A 69 1.946 6.592 -19.030 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.445 3.069 -18.529 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.721 2.799 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.213 6.158 -18.767 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.762 4.522 -18.390 1.00 0.00 H new ATOM 1097 N LEU A 70 2.042 6.231 -14.766 1.00 0.00 N ATOM 1098 CA LEU A 70 0.721 6.780 -14.430 1.00 0.00 C ATOM 1099 C LEU A 70 0.796 7.843 -13.331 1.00 0.00 C ATOM 1100 O LEU A 70 0.095 8.851 -13.386 1.00 0.00 O ATOM 1101 CB LEU A 70 -0.181 5.648 -13.932 1.00 0.00 C ATOM 1102 CG LEU A 70 -0.727 4.766 -15.057 1.00 0.00 C ATOM 1103 CD1 LEU A 70 -1.273 3.453 -14.490 1.00 0.00 C ATOM 1104 CD2 LEU A 70 -1.871 5.465 -15.794 1.00 0.00 C ATOM 0 H LEU A 70 2.122 5.233 -14.572 1.00 0.00 H new ATOM 0 HA LEU A 70 0.324 7.244 -15.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.380 5.027 -13.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.016 6.076 -13.378 1.00 0.00 H new ATOM 0 HG LEU A 70 0.097 4.573 -15.744 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.657 2.837 -15.303 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.474 2.918 -13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.077 3.667 -13.786 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.241 4.817 -16.589 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.679 5.678 -15.094 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.509 6.398 -16.226 1.00 0.00 H new ATOM 1116 N LEU A 71 1.578 7.537 -12.299 1.00 0.00 N ATOM 1117 CA LEU A 71 1.727 8.358 -11.090 1.00 0.00 C ATOM 1118 C LEU A 71 3.202 8.690 -10.856 1.00 0.00 C ATOM 1119 O LEU A 71 3.860 8.049 -10.038 1.00 0.00 O ATOM 1120 CB LEU A 71 1.160 7.588 -9.895 1.00 0.00 C ATOM 1121 CG LEU A 71 -0.248 7.034 -10.114 1.00 0.00 C ATOM 1122 CD1 LEU A 71 -0.508 5.887 -9.134 1.00 0.00 C ATOM 1123 CD2 LEU A 71 -1.328 8.109 -9.984 1.00 0.00 C ATOM 0 H LEU A 71 2.143 6.688 -12.275 1.00 0.00 H new ATOM 0 HA LEU A 71 1.182 9.294 -11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.830 6.761 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.148 8.246 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.301 6.662 -11.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.512 5.494 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.222 5.095 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.419 6.255 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.308 7.662 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.291 8.543 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.156 8.889 -10.726 1.00 0.00 H new ATOM 1135 N PRO A 72 3.750 9.681 -11.555 1.00 0.00 N ATOM 1136 CA PRO A 72 5.164 10.046 -11.391 1.00 0.00 C ATOM 1137 C PRO A 72 5.473 10.991 -10.227 1.00 0.00 C ATOM 1138 O PRO A 72 6.577 10.954 -9.685 1.00 0.00 O ATOM 1139 CB PRO A 72 5.568 10.657 -12.735 1.00 0.00 C ATOM 1140 CG PRO A 72 4.268 11.261 -13.271 1.00 0.00 C ATOM 1141 CD PRO A 72 3.185 10.311 -12.756 1.00 0.00 C ATOM 0 HA PRO A 72 5.738 9.158 -11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.340 11.416 -12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.967 9.903 -13.413 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.117 12.276 -12.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.270 11.313 -14.360 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.269 10.852 -12.520 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.930 9.564 -13.507 1.00 0.00 H new ATOM 1149 N ASN A 73 4.466 11.740 -9.790 1.00 0.00 N ATOM 1150 CA ASN A 73 4.625 12.656 -8.650 1.00 0.00 C ATOM 1151 C ASN A 73 4.139 12.095 -7.312 1.00 0.00 C ATOM 1152 O ASN A 73 3.914 12.826 -6.348 1.00 0.00 O ATOM 1153 CB ASN A 73 3.947 13.995 -8.946 1.00 0.00 C ATOM 1154 CG ASN A 73 4.992 15.050 -9.311 1.00 0.00 C ATOM 1155 OD1 ASN A 73 5.594 15.692 -8.451 1.00 0.00 O ATOM 1156 ND2 ASN A 73 5.223 15.288 -10.599 1.00 0.00 N ATOM 0 H ASN A 73 3.533 11.736 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 73 5.700 12.797 -8.534 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.237 13.878 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.378 14.323 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.898 16.002 -10.873 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.725 14.757 -11.313 1.00 0.00 H new ATOM 1163 N LYS A 74 3.915 10.784 -7.286 1.00 0.00 N ATOM 1164 CA LYS A 74 3.468 10.064 -6.085 1.00 0.00 C ATOM 1165 C LYS A 74 4.418 8.891 -5.836 1.00 0.00 C ATOM 1166 O LYS A 74 4.758 8.207 -6.800 1.00 0.00 O ATOM 1167 CB LYS A 74 2.047 9.543 -6.303 1.00 0.00 C ATOM 1168 CG LYS A 74 0.976 10.624 -6.460 1.00 0.00 C ATOM 1169 CD LYS A 74 0.716 11.395 -5.164 1.00 0.00 C ATOM 1170 CE LYS A 74 -0.479 12.340 -5.305 1.00 0.00 C ATOM 1171 NZ LYS A 74 -0.725 12.995 -4.011 1.00 0.00 N ATOM 0 H LYS A 74 4.038 10.182 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 74 3.473 10.732 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.040 8.914 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.777 8.906 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.283 11.323 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.047 10.163 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.532 10.692 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.604 11.967 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.280 13.087 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.363 11.785 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.557 13.614 -4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.897 12.272 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.105 13.562 -3.746 1.00 0.00 H new ATOM 1185 N PRO A 75 4.942 8.730 -4.625 1.00 0.00 N ATOM 1186 CA PRO A 75 5.846 7.619 -4.293 1.00 0.00 C ATOM 1187 C PRO A 75 5.143 6.261 -4.373 1.00 0.00 C ATOM 1188 O PRO A 75 4.077 6.027 -3.807 1.00 0.00 O ATOM 1189 CB PRO A 75 6.383 7.915 -2.891 1.00 0.00 C ATOM 1190 CG PRO A 75 5.339 8.859 -2.290 1.00 0.00 C ATOM 1191 CD PRO A 75 4.819 9.655 -3.489 1.00 0.00 C ATOM 0 HA PRO A 75 6.662 7.549 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.485 7.004 -2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.368 8.381 -2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.537 8.306 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.780 9.514 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.785 9.966 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.405 10.560 -3.649 1.00 0.00 H new ATOM 1199 N VAL A 76 5.710 5.470 -5.279 1.00 0.00 N ATOM 1200 CA VAL A 76 5.202 4.128 -5.597 1.00 0.00 C ATOM 1201 C VAL A 76 6.334 3.127 -5.353 1.00 0.00 C ATOM 1202 O VAL A 76 7.295 3.072 -6.120 1.00 0.00 O ATOM 1203 CB VAL A 76 4.722 4.066 -7.048 1.00 0.00 C ATOM 1204 CG1 VAL A 76 4.089 2.709 -7.363 1.00 0.00 C ATOM 1205 CG2 VAL A 76 3.699 5.146 -7.408 1.00 0.00 C ATOM 0 H VAL A 76 6.535 5.736 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 76 4.349 3.886 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 76 5.621 4.231 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.757 2.694 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.824 1.919 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.234 2.545 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.407 5.037 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.820 5.041 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.141 6.131 -7.256 1.00 0.00 H new ATOM 1215 N GLU A 77 6.107 2.305 -4.333 1.00 0.00 N ATOM 1216 CA GLU A 77 7.045 1.259 -3.899 1.00 0.00 C ATOM 1217 C GLU A 77 6.359 -0.107 -3.828 1.00 0.00 C ATOM 1218 O GLU A 77 5.136 -0.232 -3.801 1.00 0.00 O ATOM 1219 CB GLU A 77 7.623 1.600 -2.524 1.00 0.00 C ATOM 1220 CG GLU A 77 8.484 2.864 -2.463 1.00 0.00 C ATOM 1221 CD GLU A 77 9.774 2.794 -3.281 1.00 0.00 C ATOM 1222 OE1 GLU A 77 10.738 2.171 -2.784 1.00 0.00 O ATOM 1223 OE2 GLU A 77 9.847 3.526 -4.292 1.00 0.00 O ATOM 0 H GLU A 77 5.256 2.342 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 77 7.847 1.212 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.798 1.710 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.223 0.756 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.892 3.709 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.739 3.064 -1.422 1.00 0.00 H new ATOM 1230 N VAL A 78 7.195 -1.141 -3.862 1.00 0.00 N ATOM 1231 CA VAL A 78 6.761 -2.542 -3.749 1.00 0.00 C ATOM 1232 C VAL A 78 6.953 -3.023 -2.310 1.00 0.00 C ATOM 1233 O VAL A 78 7.941 -2.702 -1.650 1.00 0.00 O ATOM 1234 CB VAL A 78 7.547 -3.414 -4.730 1.00 0.00 C ATOM 1235 CG1 VAL A 78 7.103 -4.877 -4.699 1.00 0.00 C ATOM 1236 CG2 VAL A 78 7.436 -2.936 -6.180 1.00 0.00 C ATOM 0 H VAL A 78 8.204 -1.035 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 78 5.703 -2.619 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 78 8.580 -3.326 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.693 -5.451 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.252 -5.281 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.048 -4.943 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.015 -3.596 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.391 -2.951 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.823 -1.920 -6.259 1.00 0.00 H new ATOM 1246 N ILE A 79 5.991 -3.808 -1.833 1.00 0.00 N ATOM 1247 CA ILE A 79 6.039 -4.480 -0.527 1.00 0.00 C ATOM 1248 C ILE A 79 7.047 -5.628 -0.611 1.00 0.00 C ATOM 1249 O ILE A 79 7.005 -6.444 -1.530 1.00 0.00 O ATOM 1250 CB ILE A 79 4.662 -5.015 -0.127 1.00 0.00 C ATOM 1251 CG1 ILE A 79 3.634 -3.883 -0.100 1.00 0.00 C ATOM 1252 CG2 ILE A 79 4.697 -5.706 1.238 1.00 0.00 C ATOM 1253 CD1 ILE A 79 2.189 -4.360 -0.273 1.00 0.00 C ATOM 0 H ILE A 79 5.134 -4.002 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 79 6.344 -3.763 0.235 1.00 0.00 H new ATOM 0 HB ILE A 79 4.373 -5.752 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.720 -3.348 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.870 -3.171 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.701 -6.072 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.393 -6.544 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.022 -4.995 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.517 -3.502 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.086 -4.869 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.934 -5.049 0.533 1.00 0.00 H new ATOM 1265 N ASP A 80 7.908 -5.669 0.402 1.00 0.00 N ATOM 1266 CA ASP A 80 8.872 -6.759 0.609 1.00 0.00 C ATOM 1267 C ASP A 80 8.161 -8.104 0.776 1.00 0.00 C ATOM 1268 O ASP A 80 7.240 -8.272 1.576 1.00 0.00 O ATOM 1269 CB ASP A 80 9.740 -6.451 1.831 1.00 0.00 C ATOM 1270 CG ASP A 80 10.690 -7.589 2.207 1.00 0.00 C ATOM 1271 OD1 ASP A 80 11.240 -8.242 1.293 1.00 0.00 O ATOM 1272 OD2 ASP A 80 10.672 -7.947 3.404 1.00 0.00 O ATOM 0 H ASP A 80 7.961 -4.940 1.114 1.00 0.00 H new ATOM 0 HA ASP A 80 9.508 -6.833 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.323 -5.551 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.093 -6.233 2.681 1.00 0.00 H new ATOM 1277 N SER A 81 8.591 -9.030 -0.076 1.00 0.00 N ATOM 1278 CA SER A 81 8.082 -10.408 -0.131 1.00 0.00 C ATOM 1279 C SER A 81 8.151 -11.138 1.211 1.00 0.00 C ATOM 1280 O SER A 81 7.271 -11.931 1.544 1.00 0.00 O ATOM 1281 CB SER A 81 8.850 -11.214 -1.180 1.00 0.00 C ATOM 1282 OG SER A 81 8.695 -10.592 -2.458 1.00 0.00 O ATOM 0 H SER A 81 9.320 -8.845 -0.765 1.00 0.00 H new ATOM 0 HA SER A 81 7.029 -10.329 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.906 -11.267 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.478 -12.238 -1.213 1.00 0.00 H new ATOM 0 HG SER A 81 9.187 -11.104 -3.133 1.00 0.00 H new ATOM 1288 N LEU A 82 9.168 -10.825 2.009 1.00 0.00 N ATOM 1289 CA LEU A 82 9.391 -11.399 3.344 1.00 0.00 C ATOM 1290 C LEU A 82 8.393 -10.870 4.377 1.00 0.00 C ATOM 1291 O LEU A 82 7.818 -11.663 5.121 1.00 0.00 O ATOM 1292 CB LEU A 82 10.847 -11.100 3.707 1.00 0.00 C ATOM 1293 CG LEU A 82 11.233 -11.569 5.111 1.00 0.00 C ATOM 1294 CD1 LEU A 82 11.263 -13.095 5.224 1.00 0.00 C ATOM 1295 CD2 LEU A 82 12.591 -10.997 5.527 1.00 0.00 C ATOM 0 H LEU A 82 9.882 -10.147 1.743 1.00 0.00 H new ATOM 0 HA LEU A 82 9.220 -12.476 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.501 -11.580 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.019 -10.026 3.631 1.00 0.00 H new ATOM 0 HG LEU A 82 10.462 -11.196 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.542 -13.379 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.276 -13.496 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.992 -13.498 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.841 -11.346 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.356 -11.329 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.544 -9.908 5.523 1.00 0.00 H new ATOM 1307 N LEU A 83 8.175 -9.559 4.408 1.00 0.00 N ATOM 1308 CA LEU A 83 7.157 -8.921 5.256 1.00 0.00 C ATOM 1309 C LEU A 83 5.741 -9.412 4.944 1.00 0.00 C ATOM 1310 O LEU A 83 4.923 -9.605 5.843 1.00 0.00 O ATOM 1311 CB LEU A 83 7.154 -7.400 5.101 1.00 0.00 C ATOM 1312 CG LEU A 83 8.376 -6.705 5.706 1.00 0.00 C ATOM 1313 CD1 LEU A 83 8.295 -5.204 5.426 1.00 0.00 C ATOM 1314 CD2 LEU A 83 8.480 -6.926 7.217 1.00 0.00 C ATOM 0 H LEU A 83 8.703 -8.896 3.840 1.00 0.00 H new ATOM 0 HA LEU A 83 7.428 -9.199 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.098 -7.154 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.254 -7.000 5.569 1.00 0.00 H new ATOM 0 HG LEU A 83 9.263 -7.139 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.164 -4.706 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.276 -5.035 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.387 -4.799 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.363 -6.414 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.590 -6.529 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.562 -7.993 7.424 1.00 0.00 H new ATOM 1326 N TYR A 84 5.508 -9.632 3.653 1.00 0.00 N ATOM 1327 CA TYR A 84 4.267 -10.193 3.099 1.00 0.00 C ATOM 1328 C TYR A 84 4.063 -11.642 3.545 1.00 0.00 C ATOM 1329 O TYR A 84 2.958 -12.010 3.942 1.00 0.00 O ATOM 1330 CB TYR A 84 4.319 -10.105 1.571 1.00 0.00 C ATOM 1331 CG TYR A 84 2.977 -10.339 0.873 1.00 0.00 C ATOM 1332 CD1 TYR A 84 2.170 -9.241 0.594 1.00 0.00 C ATOM 1333 CD2 TYR A 84 2.630 -11.614 0.443 1.00 0.00 C ATOM 1334 CE1 TYR A 84 0.993 -9.418 -0.123 1.00 0.00 C ATOM 1335 CE2 TYR A 84 1.457 -11.796 -0.281 1.00 0.00 C ATOM 1336 CZ TYR A 84 0.655 -10.695 -0.556 1.00 0.00 C ATOM 1337 OH TYR A 84 -0.456 -10.855 -1.326 1.00 0.00 O ATOM 0 H TYR A 84 6.199 -9.419 2.934 1.00 0.00 H new ATOM 0 HA TYR A 84 3.421 -9.616 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.693 -9.121 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 84 5.038 -10.837 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.457 -8.256 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.266 -12.457 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.351 -8.577 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.173 -12.780 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.563 -11.802 -1.553 1.00 0.00 H new ATOM 1347 N GLY A 85 5.145 -12.413 3.568 1.00 0.00 N ATOM 1348 CA GLY A 85 5.177 -13.808 4.032 1.00 0.00 C ATOM 1349 C GLY A 85 4.848 -13.926 5.522 1.00 0.00 C ATOM 1350 O GLY A 85 4.032 -14.752 5.929 1.00 0.00 O ATOM 0 H GLY A 85 6.057 -12.079 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.464 -14.398 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.165 -14.230 3.845 1.00 0.00 H new ATOM 1354 N LYS A 86 5.503 -13.085 6.319 1.00 0.00 N ATOM 1355 CA LYS A 86 5.272 -12.992 7.767 1.00 0.00 C ATOM 1356 C LYS A 86 3.864 -12.499 8.107 1.00 0.00 C ATOM 1357 O LYS A 86 3.316 -12.837 9.154 1.00 0.00 O ATOM 1358 CB LYS A 86 6.248 -12.002 8.407 1.00 0.00 C ATOM 1359 CG LYS A 86 7.720 -12.405 8.319 1.00 0.00 C ATOM 1360 CD LYS A 86 8.558 -11.427 9.145 1.00 0.00 C ATOM 1361 CE LYS A 86 10.063 -11.646 8.978 1.00 0.00 C ATOM 1362 NZ LYS A 86 10.446 -12.988 9.441 1.00 0.00 N ATOM 0 H LYS A 86 6.217 -12.441 5.979 1.00 0.00 H new ATOM 0 HA LYS A 86 5.412 -14.002 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.123 -11.030 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.982 -11.878 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.854 -13.421 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.050 -12.398 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.310 -10.407 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.295 -11.530 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.340 -11.524 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.611 -10.891 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.480 -13.088 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.125 -13.122 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.004 -13.705 8.831 1.00 0.00 H new ATOM 1376 N VAL A 87 3.337 -11.670 7.210 1.00 0.00 N ATOM 1377 CA VAL A 87 2.115 -10.864 7.345 1.00 0.00 C ATOM 1378 C VAL A 87 2.264 -9.971 8.579 1.00 0.00 C ATOM 1379 O VAL A 87 1.556 -10.081 9.579 1.00 0.00 O ATOM 1380 CB VAL A 87 0.835 -11.701 7.371 1.00 0.00 C ATOM 1381 CG1 VAL A 87 -0.409 -10.824 7.226 1.00 0.00 C ATOM 1382 CG2 VAL A 87 0.790 -12.757 6.264 1.00 0.00 C ATOM 0 H VAL A 87 3.781 -11.530 6.302 1.00 0.00 H new ATOM 0 HA VAL A 87 2.004 -10.242 6.457 1.00 0.00 H new ATOM 0 HB VAL A 87 0.842 -12.201 8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.301 -11.451 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.448 -10.109 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.367 -10.287 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.142 -13.318 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.846 -12.267 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.634 -13.438 6.376 1.00 0.00 H new ATOM 1392 N ASP A 88 3.256 -9.093 8.458 1.00 0.00 N ATOM 1393 CA ASP A 88 3.611 -8.111 9.493 1.00 0.00 C ATOM 1394 C ASP A 88 3.139 -6.724 9.050 1.00 0.00 C ATOM 1395 O ASP A 88 3.767 -6.006 8.274 1.00 0.00 O ATOM 1396 CB ASP A 88 5.116 -8.113 9.765 1.00 0.00 C ATOM 1397 CG ASP A 88 5.468 -7.343 11.040 1.00 0.00 C ATOM 1398 OD1 ASP A 88 4.735 -6.397 11.401 1.00 0.00 O ATOM 1399 OD2 ASP A 88 6.495 -7.731 11.639 1.00 0.00 O ATOM 0 H ASP A 88 3.848 -9.038 7.629 1.00 0.00 H new ATOM 0 HA ASP A 88 3.115 -8.382 10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.467 -9.141 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.638 -7.669 8.917 1.00 0.00 H new ATOM 1404 N GLY A 89 1.936 -6.434 9.537 1.00 0.00 N ATOM 1405 CA GLY A 89 1.219 -5.183 9.248 1.00 0.00 C ATOM 1406 C GLY A 89 2.010 -3.938 9.651 1.00 0.00 C ATOM 1407 O GLY A 89 2.228 -3.045 8.834 1.00 0.00 O ATOM 0 H GLY A 89 1.420 -7.064 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.995 -5.136 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.264 -5.187 9.774 1.00 0.00 H new ATOM 1411 N LEU A 90 2.554 -3.971 10.865 1.00 0.00 N ATOM 1412 CA LEU A 90 3.318 -2.855 11.442 1.00 0.00 C ATOM 1413 C LEU A 90 4.595 -2.556 10.653 1.00 0.00 C ATOM 1414 O LEU A 90 4.973 -1.397 10.484 1.00 0.00 O ATOM 1415 CB LEU A 90 3.633 -3.206 12.897 1.00 0.00 C ATOM 1416 CG LEU A 90 4.266 -2.034 13.648 1.00 0.00 C ATOM 1417 CD1 LEU A 90 3.305 -0.856 13.824 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.773 -2.493 15.017 1.00 0.00 C ATOM 0 H LEU A 90 2.479 -4.777 11.485 1.00 0.00 H new ATOM 0 HA LEU A 90 2.720 -1.945 11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.716 -3.507 13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.308 -4.061 12.925 1.00 0.00 H new ATOM 0 HG LEU A 90 5.100 -1.686 13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.808 -0.054 14.363 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.990 -0.494 12.845 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.431 -1.181 14.389 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.221 -1.649 15.541 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.940 -2.882 15.602 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.520 -3.276 14.885 1.00 0.00 H new ATOM 1430 N GLY A 91 5.233 -3.616 10.165 1.00 0.00 N ATOM 1431 CA GLY A 91 6.425 -3.576 9.306 1.00 0.00 C ATOM 1432 C GLY A 91 6.183 -2.805 8.006 1.00 0.00 C ATOM 1433 O GLY A 91 6.894 -1.850 7.696 1.00 0.00 O ATOM 0 H GLY A 91 4.925 -4.568 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.247 -3.113 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.733 -4.594 9.069 1.00 0.00 H new ATOM 1437 N VAL A 92 5.051 -3.105 7.375 1.00 0.00 N ATOM 1438 CA VAL A 92 4.604 -2.459 6.133 1.00 0.00 C ATOM 1439 C VAL A 92 4.122 -1.032 6.402 1.00 0.00 C ATOM 1440 O VAL A 92 4.379 -0.129 5.606 1.00 0.00 O ATOM 1441 CB VAL A 92 3.520 -3.305 5.464 1.00 0.00 C ATOM 1442 CG1 VAL A 92 3.048 -2.718 4.133 1.00 0.00 C ATOM 1443 CG2 VAL A 92 3.999 -4.727 5.163 1.00 0.00 C ATOM 0 H VAL A 92 4.403 -3.816 7.714 1.00 0.00 H new ATOM 0 HA VAL A 92 5.449 -2.388 5.448 1.00 0.00 H new ATOM 0 HB VAL A 92 2.703 -3.314 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.279 -3.361 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.637 -1.722 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.891 -2.652 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.195 -5.289 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.858 -4.687 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.286 -5.219 6.093 1.00 0.00 H new ATOM 1453 N LEU A 93 3.522 -0.805 7.567 1.00 0.00 N ATOM 1454 CA LEU A 93 3.080 0.525 8.010 1.00 0.00 C ATOM 1455 C LEU A 93 4.271 1.478 8.124 1.00 0.00 C ATOM 1456 O LEU A 93 4.242 2.607 7.639 1.00 0.00 O ATOM 1457 CB LEU A 93 2.413 0.441 9.384 1.00 0.00 C ATOM 1458 CG LEU A 93 1.163 1.303 9.566 1.00 0.00 C ATOM 1459 CD1 LEU A 93 0.659 1.145 11.002 1.00 0.00 C ATOM 1460 CD2 LEU A 93 1.365 2.794 9.292 1.00 0.00 C ATOM 0 H LEU A 93 3.324 -1.544 8.242 1.00 0.00 H new ATOM 0 HA LEU A 93 2.371 0.896 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.147 -0.598 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.143 0.728 10.141 1.00 0.00 H new ATOM 0 HG LEU A 93 0.446 0.947 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.233 1.756 11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.416 0.099 11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.434 1.468 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.425 3.323 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.120 3.190 9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.694 2.933 8.262 1.00 0.00 H new ATOM 1472 N LYS A 94 5.355 0.964 8.701 1.00 0.00 N ATOM 1473 CA LYS A 94 6.606 1.713 8.880 1.00 0.00 C ATOM 1474 C LYS A 94 7.335 2.003 7.566 1.00 0.00 C ATOM 1475 O LYS A 94 7.878 3.094 7.401 1.00 0.00 O ATOM 1476 CB LYS A 94 7.536 0.949 9.825 1.00 0.00 C ATOM 1477 CG LYS A 94 7.101 1.172 11.274 1.00 0.00 C ATOM 1478 CD LYS A 94 7.855 0.270 12.253 1.00 0.00 C ATOM 1479 CE LYS A 94 7.507 0.614 13.703 1.00 0.00 C ATOM 1480 NZ LYS A 94 8.121 -0.383 14.592 1.00 0.00 N ATOM 0 H LYS A 94 5.395 0.011 9.061 1.00 0.00 H new ATOM 0 HA LYS A 94 6.332 2.678 9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.515 -0.115 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.564 1.285 9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.266 2.215 11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.031 0.985 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.608 -0.773 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.929 0.378 12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.868 1.612 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.425 0.624 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.889 -0.156 15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.755 -1.328 14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.153 -0.371 14.467 1.00 0.00 H new ATOM 1494 N ALA A 95 7.256 1.059 6.633 1.00 0.00 N ATOM 1495 CA ALA A 95 7.800 1.225 5.278 1.00 0.00 C ATOM 1496 C ALA A 95 7.030 2.279 4.478 1.00 0.00 C ATOM 1497 O ALA A 95 7.617 3.185 3.890 1.00 0.00 O ATOM 1498 CB ALA A 95 7.735 -0.126 4.562 1.00 0.00 C ATOM 0 H ALA A 95 6.813 0.154 6.790 1.00 0.00 H new ATOM 0 HA ALA A 95 8.831 1.571 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.135 -0.023 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.325 -0.859 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.699 -0.460 4.509 1.00 0.00 H new ATOM 1504 N ALA A 96 5.720 2.289 4.704 1.00 0.00 N ATOM 1505 CA ALA A 96 4.788 3.261 4.113 1.00 0.00 C ATOM 1506 C ALA A 96 5.011 4.674 4.657 1.00 0.00 C ATOM 1507 O ALA A 96 5.208 5.618 3.894 1.00 0.00 O ATOM 1508 CB ALA A 96 3.358 2.813 4.419 1.00 0.00 C ATOM 0 H ALA A 96 5.262 1.612 5.314 1.00 0.00 H new ATOM 0 HA ALA A 96 4.963 3.295 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.654 3.524 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.186 1.826 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.214 2.769 5.499 1.00 0.00 H new ATOM 1514 N VAL A 97 5.193 4.769 5.971 1.00 0.00 N ATOM 1515 CA VAL A 97 5.404 6.047 6.667 1.00 0.00 C ATOM 1516 C VAL A 97 6.779 6.634 6.342 1.00 0.00 C ATOM 1517 O VAL A 97 6.938 7.851 6.261 1.00 0.00 O ATOM 1518 CB VAL A 97 5.123 5.780 8.146 1.00 0.00 C ATOM 1519 CG1 VAL A 97 6.337 5.723 9.077 1.00 0.00 C ATOM 1520 CG2 VAL A 97 4.123 6.816 8.664 1.00 0.00 C ATOM 0 H VAL A 97 5.199 3.960 6.592 1.00 0.00 H new ATOM 0 HA VAL A 97 4.725 6.831 6.332 1.00 0.00 H new ATOM 0 HB VAL A 97 4.721 4.767 8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.005 5.528 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.006 4.925 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.866 6.675 9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.919 6.630 9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.541 7.816 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.195 6.742 8.097 1.00 0.00 H new ATOM 1530 N ALA A 98 7.737 5.741 6.108 1.00 0.00 N ATOM 1531 CA ALA A 98 9.104 6.102 5.705 1.00 0.00 C ATOM 1532 C ALA A 98 9.117 6.724 4.307 1.00 0.00 C ATOM 1533 O ALA A 98 9.805 7.715 4.070 1.00 0.00 O ATOM 1534 CB ALA A 98 9.975 4.844 5.710 1.00 0.00 C ATOM 0 H ALA A 98 7.590 4.735 6.192 1.00 0.00 H new ATOM 0 HA ALA A 98 9.494 6.835 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.991 5.104 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.989 4.415 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.566 4.116 5.009 1.00 0.00 H new ATOM 1540 N ALA A 99 8.264 6.199 3.431 1.00 0.00 N ATOM 1541 CA ALA A 99 8.076 6.718 2.069 1.00 0.00 C ATOM 1542 C ALA A 99 7.321 8.049 2.037 1.00 0.00 C ATOM 1543 O ALA A 99 7.662 8.934 1.254 1.00 0.00 O ATOM 1544 CB ALA A 99 7.333 5.664 1.247 1.00 0.00 C ATOM 0 H ALA A 99 7.676 5.393 3.644 1.00 0.00 H new ATOM 0 HA ALA A 99 9.059 6.918 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.184 6.032 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.919 4.746 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.365 5.462 1.705 1.00 0.00 H new