USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 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 15 SER OG : rot 180:sc= 0.32 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.52 K(o=2.8,f=-4.8!) USER MOD Set 1.3: A 84 TYR OH : rot -126:sc= 0.961 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0 K(o=0,f=-1.9!) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc=-0.00831 (180deg=-0.182) USER MOD Single : A 11 SER OG : rot 37:sc= 0.147 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.009 USER MOD Single : A 17 SER OG : rot -81:sc= 0.593 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc=-0.00986 (180deg=-0.253) USER MOD Single : A 23 MET CE :methyl 160:sc= 0 (180deg=-0.43) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.997 F(o=-1.8!,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0258 (180deg=-0.268) 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+ 160:sc= -0.0465 (180deg=-0.446) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.2) 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 -141:sc= -0.188 (180deg=-2.34!) USER MOD Single : A 68 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.013) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0.107 (180deg=0.105) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0651) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 -5.234 13.500 8.204 1.00 0.00 N ATOM 36 CA LYS A 3 -5.076 12.084 7.843 1.00 0.00 C ATOM 37 C LYS A 3 -4.416 11.893 6.475 1.00 0.00 C ATOM 38 O LYS A 3 -4.458 12.752 5.596 1.00 0.00 O ATOM 39 CB LYS A 3 -6.375 11.277 7.849 1.00 0.00 C ATOM 40 CG LYS A 3 -6.965 11.110 9.250 1.00 0.00 C ATOM 41 CD LYS A 3 -7.630 9.734 9.356 1.00 0.00 C ATOM 42 CE LYS A 3 -8.444 9.568 10.639 1.00 0.00 C ATOM 43 NZ LYS A 3 -9.749 10.230 10.496 1.00 0.00 N ATOM 0 HA LYS A 3 -4.430 11.702 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.106 11.770 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.188 10.293 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.181 11.207 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.694 11.896 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.282 9.583 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.863 8.961 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.586 8.509 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.901 9.995 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.296 10.112 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.606 11.243 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.270 9.803 9.703 1.00 0.00 H new ATOM 57 N LYS A 4 -3.672 10.791 6.427 1.00 0.00 N ATOM 58 CA LYS A 4 -2.914 10.387 5.234 1.00 0.00 C ATOM 59 C LYS A 4 -3.431 9.087 4.615 1.00 0.00 C ATOM 60 O LYS A 4 -3.813 8.156 5.322 1.00 0.00 O ATOM 61 CB LYS A 4 -1.435 10.239 5.596 1.00 0.00 C ATOM 62 CG LYS A 4 -0.842 11.581 6.034 1.00 0.00 C ATOM 63 CD LYS A 4 0.537 11.382 6.665 1.00 0.00 C ATOM 64 CE LYS A 4 1.102 12.698 7.204 1.00 0.00 C ATOM 65 NZ LYS A 4 1.326 13.644 6.101 1.00 0.00 N ATOM 0 H LYS A 4 -3.574 10.148 7.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.046 11.168 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.324 9.509 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.883 9.856 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.762 12.247 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.509 12.063 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.466 10.656 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.221 10.967 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.411 13.129 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.039 12.512 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.892 14.447 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.834 13.165 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.411 13.990 5.749 1.00 0.00 H new ATOM 79 N HIS A 5 -3.330 9.038 3.290 1.00 0.00 N ATOM 80 CA HIS A 5 -3.790 7.915 2.461 1.00 0.00 C ATOM 81 C HIS A 5 -2.648 6.975 2.066 1.00 0.00 C ATOM 82 O HIS A 5 -1.696 7.336 1.374 1.00 0.00 O ATOM 83 CB HIS A 5 -4.497 8.412 1.199 1.00 0.00 C ATOM 84 CG HIS A 5 -5.870 9.045 1.435 1.00 0.00 C ATOM 85 ND1 HIS A 5 -6.765 8.706 2.359 1.00 0.00 N ATOM 86 CD2 HIS A 5 -6.470 9.940 0.556 1.00 0.00 C ATOM 87 CE1 HIS A 5 -7.871 9.364 2.023 1.00 0.00 C ATOM 88 NE2 HIS A 5 -7.731 10.123 0.940 1.00 0.00 N ATOM 0 H HIS A 5 -2.917 9.794 2.744 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.495 7.354 3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.856 9.143 0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.613 7.574 0.512 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.994 10.407 -0.293 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.795 9.289 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.435 10.715 0.500 1.00 0.00 H new ATOM 96 N ILE A 6 -2.786 5.751 2.569 1.00 0.00 N ATOM 97 CA ILE A 6 -1.904 4.614 2.267 1.00 0.00 C ATOM 98 C ILE A 6 -2.772 3.604 1.512 1.00 0.00 C ATOM 99 O ILE A 6 -3.558 2.849 2.082 1.00 0.00 O ATOM 100 CB ILE A 6 -1.304 4.025 3.545 1.00 0.00 C ATOM 101 CG1 ILE A 6 -0.536 5.090 4.329 1.00 0.00 C ATOM 102 CG2 ILE A 6 -0.404 2.837 3.203 1.00 0.00 C ATOM 103 CD1 ILE A 6 -0.156 4.685 5.755 1.00 0.00 C ATOM 0 H ILE A 6 -3.535 5.510 3.218 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.048 4.914 1.662 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.116 3.671 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.373 5.339 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.140 5.996 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.018 2.425 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.990 2.070 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.403 3.168 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.385 5.502 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.060 4.466 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.478 3.799 5.725 1.00 0.00 H new ATOM 115 N TYR A 7 -2.622 3.643 0.191 1.00 0.00 N ATOM 116 CA TYR A 7 -3.419 2.793 -0.706 1.00 0.00 C ATOM 117 C TYR A 7 -2.579 1.663 -1.307 1.00 0.00 C ATOM 118 O TYR A 7 -1.547 1.865 -1.946 1.00 0.00 O ATOM 119 CB TYR A 7 -4.117 3.607 -1.797 1.00 0.00 C ATOM 120 CG TYR A 7 -5.149 4.652 -1.365 1.00 0.00 C ATOM 121 CD1 TYR A 7 -5.872 4.590 -0.179 1.00 0.00 C ATOM 122 CD2 TYR A 7 -5.452 5.603 -2.332 1.00 0.00 C ATOM 123 CE1 TYR A 7 -6.911 5.485 0.041 1.00 0.00 C ATOM 124 CE2 TYR A 7 -6.480 6.512 -2.114 1.00 0.00 C ATOM 125 CZ TYR A 7 -7.206 6.434 -0.931 1.00 0.00 C ATOM 126 OH TYR A 7 -8.237 7.309 -0.789 1.00 0.00 O ATOM 0 H TYR A 7 -1.958 4.252 -0.287 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.199 2.336 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.348 4.117 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.612 2.907 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.627 3.849 0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.889 5.636 -3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.483 5.444 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.711 7.267 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.280 7.894 -1.574 1.00 0.00 H new ATOM 136 N LEU A 8 -3.054 0.458 -1.005 1.00 0.00 N ATOM 137 CA LEU A 8 -2.441 -0.817 -1.405 1.00 0.00 C ATOM 138 C LEU A 8 -3.180 -1.388 -2.617 1.00 0.00 C ATOM 139 O LEU A 8 -4.399 -1.288 -2.737 1.00 0.00 O ATOM 140 CB LEU A 8 -2.463 -1.839 -0.268 1.00 0.00 C ATOM 141 CG LEU A 8 -1.420 -1.598 0.826 1.00 0.00 C ATOM 142 CD1 LEU A 8 -1.858 -0.472 1.763 1.00 0.00 C ATOM 143 CD2 LEU A 8 -1.209 -2.875 1.643 1.00 0.00 C ATOM 0 H LEU A 8 -3.905 0.332 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.400 -0.618 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.454 -1.836 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.307 -2.833 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.487 -1.311 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.099 -0.322 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.984 0.448 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.804 -0.739 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.465 -2.692 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.151 -3.170 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.861 -3.673 0.987 1.00 0.00 H new ATOM 155 N PHE A 9 -2.371 -1.889 -3.547 1.00 0.00 N ATOM 156 CA PHE A 9 -2.837 -2.392 -4.847 1.00 0.00 C ATOM 157 C PHE A 9 -2.304 -3.783 -5.195 1.00 0.00 C ATOM 158 O PHE A 9 -1.124 -4.092 -5.037 1.00 0.00 O ATOM 159 CB PHE A 9 -2.468 -1.403 -5.955 1.00 0.00 C ATOM 160 CG PHE A 9 -3.242 -0.087 -5.859 1.00 0.00 C ATOM 161 CD1 PHE A 9 -4.459 0.047 -6.516 1.00 0.00 C ATOM 162 CD2 PHE A 9 -2.695 0.985 -5.163 1.00 0.00 C ATOM 163 CE1 PHE A 9 -5.111 1.275 -6.517 1.00 0.00 C ATOM 164 CE2 PHE A 9 -3.337 2.218 -5.173 1.00 0.00 C ATOM 165 CZ PHE A 9 -4.544 2.353 -5.849 1.00 0.00 C ATOM 0 H PHE A 9 -1.361 -1.960 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.920 -2.487 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.399 -1.194 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.661 -1.862 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.897 -0.800 -7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.773 0.860 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.052 1.390 -7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.902 3.063 -4.660 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.048 3.308 -5.855 1.00 0.00 H new ATOM 190 N SER A 11 -4.187 -7.268 -7.849 1.00 0.00 N ATOM 191 CA SER A 11 -5.097 -7.552 -8.967 1.00 0.00 C ATOM 192 C SER A 11 -6.596 -7.479 -8.669 1.00 0.00 C ATOM 193 O SER A 11 -7.372 -6.872 -9.406 1.00 0.00 O ATOM 194 CB SER A 11 -4.775 -8.942 -9.522 1.00 0.00 C ATOM 195 OG SER A 11 -3.390 -9.070 -9.853 1.00 0.00 O ATOM 0 HA SER A 11 -4.916 -6.749 -9.681 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.045 -9.699 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.380 -9.129 -10.409 1.00 0.00 H new ATOM 0 HG SER A 11 -2.850 -8.588 -9.193 1.00 0.00 H new ATOM 201 N ALA A 12 -7.021 -8.164 -7.611 1.00 0.00 N ATOM 202 CA ALA A 12 -8.419 -8.223 -7.161 1.00 0.00 C ATOM 203 C ALA A 12 -8.681 -7.559 -5.808 1.00 0.00 C ATOM 204 O ALA A 12 -9.837 -7.357 -5.441 1.00 0.00 O ATOM 205 CB ALA A 12 -8.823 -9.697 -7.114 1.00 0.00 C ATOM 0 H ALA A 12 -6.390 -8.710 -7.024 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.019 -7.653 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.858 -9.780 -6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.724 -10.133 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.176 -10.230 -6.418 1.00 0.00 H new ATOM 211 N GLY A 13 -7.618 -7.144 -5.123 1.00 0.00 N ATOM 212 CA GLY A 13 -7.667 -6.552 -3.779 1.00 0.00 C ATOM 213 C GLY A 13 -8.115 -7.529 -2.691 1.00 0.00 C ATOM 214 O GLY A 13 -8.806 -7.132 -1.753 1.00 0.00 O ATOM 0 H GLY A 13 -6.670 -7.210 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.679 -6.168 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.347 -5.700 -3.792 1.00 0.00 H new ATOM 218 N MET A 14 -7.602 -8.755 -2.746 1.00 0.00 N ATOM 219 CA MET A 14 -8.052 -9.810 -1.827 1.00 0.00 C ATOM 220 C MET A 14 -7.134 -10.117 -0.642 1.00 0.00 C ATOM 221 O MET A 14 -7.464 -9.687 0.463 1.00 0.00 O ATOM 222 CB MET A 14 -8.495 -11.070 -2.575 1.00 0.00 C ATOM 223 CG MET A 14 -7.418 -11.672 -3.479 1.00 0.00 C ATOM 224 SD MET A 14 -7.660 -13.467 -3.739 1.00 0.00 S ATOM 225 CE MET A 14 -6.030 -13.894 -4.315 1.00 0.00 C ATOM 0 H MET A 14 -6.882 -9.046 -3.407 1.00 0.00 H new ATOM 0 HA MET A 14 -8.928 -9.376 -1.345 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.805 -11.821 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 14 -9.370 -10.832 -3.180 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.428 -11.162 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 14 -6.437 -11.499 -3.037 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.987 -14.962 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.807 -13.335 -5.224 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.297 -13.647 -3.548 1.00 0.00 H new ATOM 235 N SER A 15 -5.972 -10.738 -0.828 1.00 0.00 N ATOM 236 CA SER A 15 -5.113 -11.150 0.292 1.00 0.00 C ATOM 237 C SER A 15 -4.497 -9.974 1.054 1.00 0.00 C ATOM 238 O SER A 15 -4.306 -10.042 2.267 1.00 0.00 O ATOM 239 CB SER A 15 -3.993 -12.078 -0.180 1.00 0.00 C ATOM 240 OG SER A 15 -3.111 -11.334 -1.023 1.00 0.00 O ATOM 0 H SER A 15 -5.597 -10.971 -1.748 1.00 0.00 H new ATOM 0 HA SER A 15 -5.773 -11.680 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.450 -12.481 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.408 -12.927 -0.722 1.00 0.00 H new ATOM 0 HG SER A 15 -2.386 -11.916 -1.332 1.00 0.00 H new ATOM 246 N THR A 16 -4.341 -8.848 0.363 1.00 0.00 N ATOM 247 CA THR A 16 -3.905 -7.567 0.936 1.00 0.00 C ATOM 248 C THR A 16 -4.810 -7.062 2.062 1.00 0.00 C ATOM 249 O THR A 16 -4.298 -6.500 3.029 1.00 0.00 O ATOM 250 CB THR A 16 -3.884 -6.463 -0.123 1.00 0.00 C ATOM 251 OG1 THR A 16 -5.073 -6.592 -0.905 1.00 0.00 O ATOM 252 CG2 THR A 16 -2.598 -6.487 -0.951 1.00 0.00 C ATOM 0 H THR A 16 -4.518 -8.795 -0.640 1.00 0.00 H new ATOM 0 HA THR A 16 -2.910 -7.772 1.330 1.00 0.00 H new ATOM 0 HB THR A 16 -3.878 -5.480 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.089 -5.895 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.626 -5.686 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.740 -6.344 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.510 -7.447 -1.459 1.00 0.00 H new ATOM 260 N SER A 17 -6.112 -7.316 1.977 1.00 0.00 N ATOM 261 CA SER A 17 -7.093 -6.793 2.939 1.00 0.00 C ATOM 262 C SER A 17 -6.823 -7.217 4.384 1.00 0.00 C ATOM 263 O SER A 17 -7.013 -6.437 5.316 1.00 0.00 O ATOM 264 CB SER A 17 -8.518 -7.196 2.556 1.00 0.00 C ATOM 265 OG SER A 17 -8.736 -8.579 2.849 1.00 0.00 O ATOM 0 H SER A 17 -6.523 -7.890 1.241 1.00 0.00 H new ATOM 0 HA SER A 17 -6.987 -5.709 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.236 -6.584 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.683 -7.011 1.495 1.00 0.00 H new ATOM 0 HG SER A 17 -8.363 -9.129 2.129 1.00 0.00 H new ATOM 271 N LEU A 18 -6.315 -8.435 4.554 1.00 0.00 N ATOM 272 CA LEU A 18 -5.898 -8.972 5.857 1.00 0.00 C ATOM 273 C LEU A 18 -4.687 -8.223 6.415 1.00 0.00 C ATOM 274 O LEU A 18 -4.688 -7.810 7.574 1.00 0.00 O ATOM 275 CB LEU A 18 -5.651 -10.480 5.780 1.00 0.00 C ATOM 276 CG LEU A 18 -4.970 -11.067 7.019 1.00 0.00 C ATOM 277 CD1 LEU A 18 -5.850 -11.015 8.270 1.00 0.00 C ATOM 278 CD2 LEU A 18 -4.545 -12.512 6.748 1.00 0.00 C ATOM 0 H LEU A 18 -6.178 -9.089 3.784 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.718 -8.812 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.605 -10.986 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.036 -10.692 4.906 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.096 -10.447 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.310 -11.446 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.104 -9.979 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.764 -11.583 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.061 -12.921 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.423 -13.110 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.847 -12.535 5.911 1.00 0.00 H new ATOM 290 N LEU A 19 -3.679 -8.022 5.571 1.00 0.00 N ATOM 291 CA LEU A 19 -2.485 -7.244 5.932 1.00 0.00 C ATOM 292 C LEU A 19 -2.847 -5.797 6.271 1.00 0.00 C ATOM 293 O LEU A 19 -2.467 -5.307 7.333 1.00 0.00 O ATOM 294 CB LEU A 19 -1.490 -7.346 4.774 1.00 0.00 C ATOM 295 CG LEU A 19 -0.056 -7.024 5.201 1.00 0.00 C ATOM 296 CD1 LEU A 19 0.916 -7.772 4.285 1.00 0.00 C ATOM 297 CD2 LEU A 19 0.245 -5.527 5.098 1.00 0.00 C ATOM 0 H LEU A 19 -3.661 -8.390 4.620 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.025 -7.648 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.524 -8.353 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.791 -6.663 3.980 1.00 0.00 H new ATOM 0 HG LEU A 19 0.060 -7.331 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.941 -7.549 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.740 -8.845 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.760 -7.456 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.273 -5.340 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.114 -5.200 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.437 -4.974 5.744 1.00 0.00 H new ATOM 309 N VAL A 20 -3.760 -5.225 5.490 1.00 0.00 N ATOM 310 CA VAL A 20 -4.369 -3.908 5.721 1.00 0.00 C ATOM 311 C VAL A 20 -5.013 -3.884 7.107 1.00 0.00 C ATOM 312 O VAL A 20 -4.747 -2.979 7.896 1.00 0.00 O ATOM 313 CB VAL A 20 -5.404 -3.616 4.632 1.00 0.00 C ATOM 314 CG1 VAL A 20 -6.297 -2.402 4.895 1.00 0.00 C ATOM 315 CG2 VAL A 20 -4.695 -3.355 3.301 1.00 0.00 C ATOM 0 H VAL A 20 -4.112 -5.679 4.647 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.603 -3.134 5.678 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.040 -4.501 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.996 -2.278 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.853 -2.553 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.679 -1.508 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.436 -3.148 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.030 -2.498 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.114 -4.233 3.020 1.00 0.00 H new ATOM 325 N SER A 21 -5.833 -4.894 7.389 1.00 0.00 N ATOM 326 CA SER A 21 -6.533 -5.035 8.674 1.00 0.00 C ATOM 327 C SER A 21 -5.582 -5.017 9.873 1.00 0.00 C ATOM 328 O SER A 21 -5.786 -4.268 10.827 1.00 0.00 O ATOM 329 CB SER A 21 -7.354 -6.325 8.681 1.00 0.00 C ATOM 330 OG SER A 21 -8.079 -6.429 9.909 1.00 0.00 O ATOM 0 H SER A 21 -6.035 -5.646 6.730 1.00 0.00 H new ATOM 0 HA SER A 21 -7.191 -4.172 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.045 -6.332 7.838 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.697 -7.186 8.562 1.00 0.00 H new ATOM 0 HG SER A 21 -8.605 -7.256 9.909 1.00 0.00 H new ATOM 336 N LYS A 22 -4.458 -5.716 9.741 1.00 0.00 N ATOM 337 CA LYS A 22 -3.419 -5.770 10.779 1.00 0.00 C ATOM 338 C LYS A 22 -2.731 -4.427 11.027 1.00 0.00 C ATOM 339 O LYS A 22 -2.645 -3.989 12.174 1.00 0.00 O ATOM 340 CB LYS A 22 -2.348 -6.817 10.461 1.00 0.00 C ATOM 341 CG LYS A 22 -2.895 -8.245 10.510 1.00 0.00 C ATOM 342 CD LYS A 22 -1.738 -9.232 10.677 1.00 0.00 C ATOM 343 CE LYS A 22 -2.223 -10.674 10.834 1.00 0.00 C ATOM 344 NZ LYS A 22 -2.961 -10.818 12.097 1.00 0.00 N ATOM 0 H LYS A 22 -4.236 -6.265 8.910 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.953 -6.049 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.936 -6.622 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.527 -6.721 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.597 -8.348 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.446 -8.466 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.079 -9.165 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.148 -8.952 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.864 -10.945 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.373 -11.357 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.067 -11.827 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.438 -10.344 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.901 -10.384 12.001 1.00 0.00 H new ATOM 358 N MET A 23 -2.374 -3.743 9.944 1.00 0.00 N ATOM 359 CA MET A 23 -1.762 -2.411 10.048 1.00 0.00 C ATOM 360 C MET A 23 -2.754 -1.298 10.391 1.00 0.00 C ATOM 361 O MET A 23 -2.354 -0.286 10.966 1.00 0.00 O ATOM 362 CB MET A 23 -0.872 -2.026 8.865 1.00 0.00 C ATOM 363 CG MET A 23 -1.467 -2.201 7.466 1.00 0.00 C ATOM 364 SD MET A 23 -0.230 -2.093 6.123 1.00 0.00 S ATOM 365 CE MET A 23 0.062 -0.348 5.933 1.00 0.00 C ATOM 0 H MET A 23 -2.494 -4.081 8.989 1.00 0.00 H new ATOM 0 HA MET A 23 -1.095 -2.512 10.904 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.584 -0.981 8.983 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.042 -2.617 8.921 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.966 -3.168 7.411 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.230 -1.439 7.307 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.014 -0.192 5.426 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.741 0.093 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.092 0.125 6.915 1.00 0.00 H new ATOM 375 N ARG A 24 -4.039 -1.530 10.140 1.00 0.00 N ATOM 376 CA ARG A 24 -5.144 -0.710 10.659 1.00 0.00 C ATOM 377 C ARG A 24 -5.274 -0.844 12.178 1.00 0.00 C ATOM 378 O ARG A 24 -5.180 0.159 12.884 1.00 0.00 O ATOM 379 CB ARG A 24 -6.502 -1.064 10.049 1.00 0.00 C ATOM 380 CG ARG A 24 -6.838 -0.349 8.740 1.00 0.00 C ATOM 381 CD ARG A 24 -8.327 -0.533 8.436 1.00 0.00 C ATOM 382 NE ARG A 24 -8.778 0.103 7.189 1.00 0.00 N ATOM 383 CZ ARG A 24 -9.572 -0.458 6.268 1.00 0.00 C ATOM 384 NH1 ARG A 24 -9.989 -1.727 6.382 1.00 0.00 N ATOM 385 NH2 ARG A 24 -10.050 0.275 5.253 1.00 0.00 N ATOM 0 H ARG A 24 -4.354 -2.307 9.559 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.886 0.311 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.534 -2.139 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.280 -0.836 10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.599 0.711 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.236 -0.752 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.545 -1.600 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.907 -0.129 9.266 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.458 1.055 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.702 -2.288 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.594 -2.131 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.809 1.264 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.654 -0.156 4.553 1.00 0.00 H new ATOM 399 N ALA A 25 -5.250 -2.080 12.668 1.00 0.00 N ATOM 400 CA ALA A 25 -5.310 -2.387 14.103 1.00 0.00 C ATOM 401 C ALA A 25 -4.111 -1.845 14.885 1.00 0.00 C ATOM 402 O ALA A 25 -4.191 -1.498 16.062 1.00 0.00 O ATOM 403 CB ALA A 25 -5.401 -3.909 14.230 1.00 0.00 C ATOM 0 H ALA A 25 -5.188 -2.909 12.077 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.180 -1.896 14.539 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.448 -4.184 15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.298 -4.263 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.522 -4.365 13.775 1.00 0.00 H new ATOM 409 N GLN A 26 -2.959 -1.841 14.222 1.00 0.00 N ATOM 410 CA GLN A 26 -1.724 -1.245 14.755 1.00 0.00 C ATOM 411 C GLN A 26 -1.682 0.279 14.615 1.00 0.00 C ATOM 412 O GLN A 26 -1.186 0.949 15.519 1.00 0.00 O ATOM 413 CB GLN A 26 -0.506 -1.920 14.123 1.00 0.00 C ATOM 414 CG GLN A 26 -0.338 -3.337 14.674 1.00 0.00 C ATOM 415 CD GLN A 26 0.644 -4.202 13.882 1.00 0.00 C ATOM 416 OE1 GLN A 26 1.638 -4.793 14.537 1.00 0.00 O flip ATOM 417 NE2 GLN A 26 0.465 -4.492 12.700 1.00 0.00 N flip ATOM 0 H GLN A 26 -2.848 -2.251 13.295 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.705 -1.430 15.829 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.623 -1.955 13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.390 -1.334 14.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.001 -3.275 15.708 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.311 -3.829 14.686 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.291 -4.052 12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.073 -5.173 12.244 1.00 0.00 H new ATOM 426 N ALA A 27 -2.378 0.815 13.617 1.00 0.00 N ATOM 427 CA ALA A 27 -2.623 2.260 13.501 1.00 0.00 C ATOM 428 C ALA A 27 -3.538 2.760 14.622 1.00 0.00 C ATOM 429 O ALA A 27 -3.363 3.886 15.083 1.00 0.00 O ATOM 430 CB ALA A 27 -3.255 2.587 12.147 1.00 0.00 C ATOM 0 H ALA A 27 -2.790 0.265 12.863 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.660 2.765 13.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.430 3.661 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.583 2.276 11.347 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.203 2.058 12.051 1.00 0.00 H new ATOM 436 N GLU A 28 -4.440 1.901 15.086 1.00 0.00 N ATOM 437 CA GLU A 28 -5.277 2.138 16.270 1.00 0.00 C ATOM 438 C GLU A 28 -4.439 2.102 17.549 1.00 0.00 C ATOM 439 O GLU A 28 -4.388 3.075 18.299 1.00 0.00 O ATOM 440 CB GLU A 28 -6.355 1.054 16.358 1.00 0.00 C ATOM 441 CG GLU A 28 -7.450 1.161 15.295 1.00 0.00 C ATOM 442 CD GLU A 28 -8.419 -0.023 15.343 1.00 0.00 C ATOM 443 OE1 GLU A 28 -8.972 -0.286 16.432 1.00 0.00 O ATOM 444 OE2 GLU A 28 -8.605 -0.629 14.265 1.00 0.00 O ATOM 0 H GLU A 28 -4.618 0.999 14.644 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.733 3.123 16.173 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.878 0.077 16.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.818 1.099 17.344 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.004 2.088 15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.992 1.214 14.307 1.00 0.00 H new ATOM 451 N LYS A 29 -3.622 1.057 17.664 1.00 0.00 N ATOM 452 CA LYS A 29 -2.756 0.802 18.823 1.00 0.00 C ATOM 453 C LYS A 29 -1.747 1.921 19.089 1.00 0.00 C ATOM 454 O LYS A 29 -1.440 2.213 20.243 1.00 0.00 O ATOM 455 CB LYS A 29 -2.029 -0.521 18.574 1.00 0.00 C ATOM 456 CG LYS A 29 -1.246 -0.973 19.808 1.00 0.00 C ATOM 457 CD LYS A 29 -0.478 -2.270 19.545 1.00 0.00 C ATOM 458 CE LYS A 29 0.238 -2.779 20.797 1.00 0.00 C ATOM 459 NZ LYS A 29 -0.744 -3.179 21.816 1.00 0.00 N ATOM 0 H LYS A 29 -3.539 0.345 16.939 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.381 0.756 19.715 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.753 -1.289 18.300 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.348 -0.410 17.731 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.548 -0.190 20.103 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.933 -1.119 20.642 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.169 -3.034 19.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.252 -2.104 18.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.874 -3.627 20.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.889 -2.000 21.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.277 -3.764 22.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.144 -2.330 22.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.506 -3.726 21.368 1.00 0.00 H new ATOM 473 N TYR A 30 -1.082 2.350 18.020 1.00 0.00 N ATOM 474 CA TYR A 30 -0.028 3.372 18.077 1.00 0.00 C ATOM 475 C TYR A 30 -0.523 4.766 17.688 1.00 0.00 C ATOM 476 O TYR A 30 0.284 5.623 17.328 1.00 0.00 O ATOM 477 CB TYR A 30 1.133 2.951 17.172 1.00 0.00 C ATOM 478 CG TYR A 30 1.791 1.631 17.582 1.00 0.00 C ATOM 479 CD1 TYR A 30 2.471 1.516 18.788 1.00 0.00 C ATOM 480 CD2 TYR A 30 1.646 0.544 16.727 1.00 0.00 C ATOM 481 CE1 TYR A 30 2.989 0.283 19.166 1.00 0.00 C ATOM 482 CE2 TYR A 30 2.153 -0.694 17.104 1.00 0.00 C ATOM 483 CZ TYR A 30 2.824 -0.805 18.316 1.00 0.00 C ATOM 484 OH TYR A 30 3.195 -2.040 18.747 1.00 0.00 O ATOM 0 H TYR A 30 -1.257 1.998 17.079 1.00 0.00 H new ATOM 0 HA TYR A 30 0.303 3.441 19.113 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.769 2.862 16.148 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.887 3.738 17.175 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.596 2.378 19.427 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.144 0.661 15.778 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.511 0.172 20.105 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.028 -1.556 16.465 1.00 0.00 H new ATOM 0 HH TYR A 30 3.018 -2.699 18.043 1.00 0.00 H new ATOM 494 N GLU A 31 -1.836 4.959 17.771 1.00 0.00 N ATOM 495 CA GLU A 31 -2.585 6.170 17.404 1.00 0.00 C ATOM 496 C GLU A 31 -1.973 6.995 16.269 1.00 0.00 C ATOM 497 O GLU A 31 -1.373 8.059 16.413 1.00 0.00 O ATOM 498 CB GLU A 31 -2.960 6.988 18.643 1.00 0.00 C ATOM 499 CG GLU A 31 -1.804 7.298 19.595 1.00 0.00 C ATOM 500 CD GLU A 31 -2.305 7.933 20.894 1.00 0.00 C ATOM 501 OE1 GLU A 31 -2.778 7.164 21.759 1.00 0.00 O ATOM 502 OE2 GLU A 31 -2.199 9.173 21.007 1.00 0.00 O ATOM 0 H GLU A 31 -2.453 4.226 18.120 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.517 5.820 16.959 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.403 7.929 18.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.729 6.448 19.195 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.262 6.380 19.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.100 7.972 19.107 1.00 0.00 H new ATOM 509 N VAL A 32 -2.063 6.372 15.098 1.00 0.00 N ATOM 510 CA VAL A 32 -1.551 6.886 13.819 1.00 0.00 C ATOM 511 C VAL A 32 -2.753 7.205 12.927 1.00 0.00 C ATOM 512 O VAL A 32 -3.378 6.286 12.398 1.00 0.00 O ATOM 513 CB VAL A 32 -0.635 5.857 13.153 1.00 0.00 C ATOM 514 CG1 VAL A 32 0.050 6.437 11.914 1.00 0.00 C ATOM 515 CG2 VAL A 32 0.454 5.325 14.086 1.00 0.00 C ATOM 0 H VAL A 32 -2.510 5.460 15.004 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.959 7.786 13.983 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.292 5.032 12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.693 5.680 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.706 6.745 11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.651 7.300 12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.068 4.600 13.552 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.079 6.151 14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.008 4.844 14.948 1.00 0.00 H new ATOM 525 N PRO A 33 -3.051 8.480 12.696 1.00 0.00 N ATOM 526 CA PRO A 33 -4.206 8.880 11.878 1.00 0.00 C ATOM 527 C PRO A 33 -3.973 8.737 10.373 1.00 0.00 C ATOM 528 O PRO A 33 -3.631 9.664 9.641 1.00 0.00 O ATOM 529 CB PRO A 33 -4.508 10.315 12.312 1.00 0.00 C ATOM 530 CG PRO A 33 -3.141 10.858 12.735 1.00 0.00 C ATOM 531 CD PRO A 33 -2.439 9.645 13.351 1.00 0.00 C ATOM 0 HA PRO A 33 -5.058 8.221 12.044 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.937 10.899 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.223 10.343 13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.586 11.251 11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.239 11.671 13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.364 9.678 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.583 9.612 14.431 1.00 0.00 H new ATOM 539 N VAL A 34 -4.230 7.511 9.925 1.00 0.00 N ATOM 540 CA VAL A 34 -4.079 7.078 8.528 1.00 0.00 C ATOM 541 C VAL A 34 -5.227 6.186 8.054 1.00 0.00 C ATOM 542 O VAL A 34 -5.815 5.408 8.803 1.00 0.00 O ATOM 543 CB VAL A 34 -2.743 6.379 8.266 1.00 0.00 C ATOM 544 CG1 VAL A 34 -1.588 7.381 8.323 1.00 0.00 C ATOM 545 CG2 VAL A 34 -2.451 5.219 9.218 1.00 0.00 C ATOM 0 H VAL A 34 -4.559 6.765 10.538 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.103 8.000 7.948 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.831 5.954 7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.648 6.863 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.737 8.151 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.556 7.843 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.487 4.776 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.425 5.588 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.232 4.465 9.123 1.00 0.00 H new ATOM 555 N ILE A 35 -5.518 6.360 6.768 1.00 0.00 N ATOM 556 CA ILE A 35 -6.541 5.610 6.024 1.00 0.00 C ATOM 557 C ILE A 35 -5.807 4.618 5.119 1.00 0.00 C ATOM 558 O ILE A 35 -5.080 4.981 4.196 1.00 0.00 O ATOM 559 CB ILE A 35 -7.457 6.565 5.256 1.00 0.00 C ATOM 560 CG1 ILE A 35 -8.228 7.454 6.233 1.00 0.00 C ATOM 561 CG2 ILE A 35 -8.446 5.786 4.386 1.00 0.00 C ATOM 562 CD1 ILE A 35 -8.906 8.669 5.596 1.00 0.00 C ATOM 0 H ILE A 35 -5.035 7.048 6.190 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.199 5.056 6.694 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.836 7.187 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.988 6.850 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.542 7.802 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.087 6.485 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.897 5.174 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.059 5.143 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.428 9.239 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.153 9.300 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.621 8.334 4.845 1.00 0.00 H new ATOM 574 N ILE A 36 -5.915 3.361 5.541 1.00 0.00 N ATOM 575 CA ILE A 36 -5.255 2.237 4.863 1.00 0.00 C ATOM 576 C ILE A 36 -6.334 1.382 4.195 1.00 0.00 C ATOM 577 O ILE A 36 -7.152 0.763 4.874 1.00 0.00 O ATOM 578 CB ILE A 36 -4.427 1.405 5.844 1.00 0.00 C ATOM 579 CG1 ILE A 36 -3.517 2.286 6.702 1.00 0.00 C ATOM 580 CG2 ILE A 36 -3.602 0.378 5.064 1.00 0.00 C ATOM 581 CD1 ILE A 36 -3.128 1.644 8.035 1.00 0.00 C ATOM 0 H ILE A 36 -6.459 3.088 6.359 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.563 2.618 4.111 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.108 0.889 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.612 2.515 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.020 3.233 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.010 -0.217 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.270 -0.276 4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.937 0.895 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.483 2.324 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.027 1.440 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.597 0.711 7.848 1.00 0.00 H new ATOM 593 N GLU A 37 -6.316 1.400 2.866 1.00 0.00 N ATOM 594 CA GLU A 37 -7.315 0.735 2.016 1.00 0.00 C ATOM 595 C GLU A 37 -6.658 0.022 0.832 1.00 0.00 C ATOM 596 O GLU A 37 -5.647 0.460 0.285 1.00 0.00 O ATOM 597 CB GLU A 37 -8.325 1.739 1.458 1.00 0.00 C ATOM 598 CG GLU A 37 -9.118 2.455 2.553 1.00 0.00 C ATOM 599 CD GLU A 37 -10.151 3.457 2.034 1.00 0.00 C ATOM 600 OE1 GLU A 37 -9.906 4.090 0.984 1.00 0.00 O ATOM 601 OE2 GLU A 37 -11.163 3.581 2.756 1.00 0.00 O ATOM 0 H GLU A 37 -5.595 1.885 2.333 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.822 0.008 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.799 2.479 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.017 1.220 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.628 1.709 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.420 2.977 3.207 1.00 0.00 H new ATOM 608 N ALA A 38 -7.259 -1.120 0.508 1.00 0.00 N ATOM 609 CA ALA A 38 -6.801 -1.968 -0.602 1.00 0.00 C ATOM 610 C ALA A 38 -7.791 -1.967 -1.769 1.00 0.00 C ATOM 611 O ALA A 38 -9.006 -1.998 -1.576 1.00 0.00 O ATOM 612 CB ALA A 38 -6.562 -3.398 -0.112 1.00 0.00 C ATOM 0 H ALA A 38 -8.073 -1.487 1.001 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.863 -1.551 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.223 -4.016 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.802 -3.393 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.490 -3.806 0.288 1.00 0.00 H new ATOM 618 N PHE A 39 -7.210 -1.818 -2.956 1.00 0.00 N ATOM 619 CA PHE A 39 -7.925 -1.705 -4.236 1.00 0.00 C ATOM 620 C PHE A 39 -7.315 -2.580 -5.332 1.00 0.00 C ATOM 621 O PHE A 39 -6.120 -2.869 -5.274 1.00 0.00 O ATOM 622 CB PHE A 39 -7.875 -0.254 -4.719 1.00 0.00 C ATOM 623 CG PHE A 39 -8.578 0.757 -3.812 1.00 0.00 C ATOM 624 CD1 PHE A 39 -9.950 0.941 -3.942 1.00 0.00 C ATOM 625 CD2 PHE A 39 -7.836 1.534 -2.930 1.00 0.00 C ATOM 626 CE1 PHE A 39 -10.587 1.930 -3.202 1.00 0.00 C ATOM 627 CE2 PHE A 39 -8.470 2.532 -2.197 1.00 0.00 C ATOM 628 CZ PHE A 39 -9.844 2.708 -2.323 1.00 0.00 C ATOM 0 H PHE A 39 -6.197 -1.770 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.947 -2.038 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.831 0.041 -4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.324 -0.202 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.519 0.317 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.776 1.364 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.649 2.092 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.899 3.166 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.341 3.461 -1.729 1.00 0.00 H new ATOM 638 N PRO A 40 -8.095 -2.980 -6.332 1.00 0.00 N ATOM 639 CA PRO A 40 -7.547 -3.560 -7.567 1.00 0.00 C ATOM 640 C PRO A 40 -6.731 -2.548 -8.372 1.00 0.00 C ATOM 641 O PRO A 40 -7.005 -1.349 -8.361 1.00 0.00 O ATOM 642 CB PRO A 40 -8.736 -4.088 -8.372 1.00 0.00 C ATOM 643 CG PRO A 40 -9.980 -3.508 -7.696 1.00 0.00 C ATOM 644 CD PRO A 40 -9.548 -3.187 -6.263 1.00 0.00 C ATOM 0 HA PRO A 40 -6.851 -4.364 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.674 -3.775 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.760 -5.178 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.327 -2.613 -8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.803 -4.222 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.055 -2.297 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.797 -4.003 -5.585 1.00 0.00 H new ATOM 652 N GLU A 41 -5.766 -3.089 -9.111 1.00 0.00 N ATOM 653 CA GLU A 41 -4.779 -2.331 -9.894 1.00 0.00 C ATOM 654 C GLU A 41 -5.395 -1.422 -10.958 1.00 0.00 C ATOM 655 O GLU A 41 -4.842 -0.372 -11.281 1.00 0.00 O ATOM 656 CB GLU A 41 -3.747 -3.283 -10.504 1.00 0.00 C ATOM 657 CG GLU A 41 -4.118 -3.990 -11.810 1.00 0.00 C ATOM 658 CD GLU A 41 -5.166 -5.099 -11.716 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.350 -4.757 -11.511 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.757 -6.256 -11.957 1.00 0.00 O ATOM 0 H GLU A 41 -5.641 -4.098 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.282 -1.657 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.830 -2.719 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.516 -4.048 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.479 -3.239 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.210 -4.415 -12.237 1.00 0.00 H new ATOM 667 N THR A 42 -6.613 -1.743 -11.387 1.00 0.00 N ATOM 668 CA THR A 42 -7.429 -0.950 -12.318 1.00 0.00 C ATOM 669 C THR A 42 -7.650 0.498 -11.874 1.00 0.00 C ATOM 670 O THR A 42 -7.652 1.420 -12.686 1.00 0.00 O ATOM 671 CB THR A 42 -8.809 -1.586 -12.504 1.00 0.00 C ATOM 672 OG1 THR A 42 -9.438 -1.744 -11.229 1.00 0.00 O ATOM 673 CG2 THR A 42 -8.735 -2.912 -13.264 1.00 0.00 C ATOM 0 H THR A 42 -7.083 -2.597 -11.086 1.00 0.00 H new ATOM 0 HA THR A 42 -6.860 -0.940 -13.248 1.00 0.00 H new ATOM 0 HB THR A 42 -9.415 -0.919 -13.117 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.322 -2.150 -11.348 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.738 -3.326 -13.372 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.304 -2.742 -14.251 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.110 -3.614 -12.711 1.00 0.00 H new ATOM 681 N LEU A 43 -7.697 0.686 -10.558 1.00 0.00 N ATOM 682 CA LEU A 43 -7.931 1.989 -9.920 1.00 0.00 C ATOM 683 C LEU A 43 -6.653 2.696 -9.466 1.00 0.00 C ATOM 684 O LEU A 43 -6.695 3.708 -8.769 1.00 0.00 O ATOM 685 CB LEU A 43 -8.869 1.793 -8.727 1.00 0.00 C ATOM 686 CG LEU A 43 -10.249 1.273 -9.133 1.00 0.00 C ATOM 687 CD1 LEU A 43 -11.031 0.842 -7.891 1.00 0.00 C ATOM 688 CD2 LEU A 43 -11.062 2.327 -9.887 1.00 0.00 C ATOM 0 H LEU A 43 -7.572 -0.073 -9.888 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.379 2.637 -10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.415 1.093 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.984 2.741 -8.202 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.089 0.424 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.012 0.473 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.487 0.051 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.151 1.695 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.034 1.913 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.202 3.201 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.529 2.618 -10.792 1.00 0.00 H new ATOM 700 N ALA A 44 -5.530 2.238 -10.012 1.00 0.00 N ATOM 701 CA ALA A 44 -4.195 2.775 -9.712 1.00 0.00 C ATOM 702 C ALA A 44 -4.041 4.255 -10.066 1.00 0.00 C ATOM 703 O ALA A 44 -3.683 5.032 -9.182 1.00 0.00 O ATOM 704 CB ALA A 44 -3.113 1.956 -10.420 1.00 0.00 C ATOM 0 H ALA A 44 -5.516 1.472 -10.686 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.074 2.694 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.132 2.369 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.161 0.921 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.275 1.994 -11.497 1.00 0.00 H new ATOM 710 N GLY A 45 -4.483 4.640 -11.260 1.00 0.00 N ATOM 711 CA GLY A 45 -4.485 6.045 -11.693 1.00 0.00 C ATOM 712 C GLY A 45 -5.380 6.892 -10.785 1.00 0.00 C ATOM 713 O GLY A 45 -4.877 7.558 -9.881 1.00 0.00 O ATOM 0 H GLY A 45 -4.850 3.993 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.468 6.437 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.836 6.112 -12.723 1.00 0.00 H new ATOM 717 N GLU A 46 -6.637 6.458 -10.761 1.00 0.00 N ATOM 718 CA GLU A 46 -7.759 7.190 -10.158 1.00 0.00 C ATOM 719 C GLU A 46 -7.534 7.511 -8.678 1.00 0.00 C ATOM 720 O GLU A 46 -7.162 8.626 -8.314 1.00 0.00 O ATOM 721 CB GLU A 46 -9.021 6.344 -10.341 1.00 0.00 C ATOM 722 CG GLU A 46 -10.324 7.137 -10.461 1.00 0.00 C ATOM 723 CD GLU A 46 -10.657 7.965 -9.218 1.00 0.00 C ATOM 724 OE1 GLU A 46 -10.946 7.380 -8.151 1.00 0.00 O ATOM 725 OE2 GLU A 46 -10.583 9.206 -9.338 1.00 0.00 O ATOM 0 H GLU A 46 -6.916 5.566 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.857 8.154 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.903 5.732 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.107 5.660 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.256 7.802 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.143 6.445 -10.656 1.00 0.00 H new ATOM 732 N LYS A 47 -7.364 6.443 -7.903 1.00 0.00 N ATOM 733 CA LYS A 47 -7.175 6.543 -6.449 1.00 0.00 C ATOM 734 C LYS A 47 -5.764 6.973 -6.041 1.00 0.00 C ATOM 735 O LYS A 47 -5.609 7.768 -5.114 1.00 0.00 O ATOM 736 CB LYS A 47 -7.517 5.224 -5.752 1.00 0.00 C ATOM 737 CG LYS A 47 -8.921 5.188 -5.146 1.00 0.00 C ATOM 738 CD LYS A 47 -10.042 5.266 -6.186 1.00 0.00 C ATOM 739 CE LYS A 47 -11.421 5.415 -5.539 1.00 0.00 C ATOM 740 NZ LYS A 47 -11.509 6.722 -4.872 1.00 0.00 N ATOM 0 H LYS A 47 -7.353 5.487 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.862 7.325 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.421 4.410 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.787 5.041 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.035 4.270 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.027 6.018 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.861 6.111 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.027 4.367 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.201 5.327 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.585 4.614 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.508 6.973 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.031 6.674 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.050 7.445 -5.462 1.00 0.00 H new ATOM 754 N GLY A 48 -4.781 6.563 -6.836 1.00 0.00 N ATOM 755 CA GLY A 48 -3.360 6.882 -6.633 1.00 0.00 C ATOM 756 C GLY A 48 -3.063 8.382 -6.678 1.00 0.00 C ATOM 757 O GLY A 48 -2.196 8.870 -5.955 1.00 0.00 O ATOM 0 H GLY A 48 -4.947 5.986 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.040 6.484 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.769 6.379 -7.398 1.00 0.00 H new ATOM 761 N GLN A 49 -3.915 9.114 -7.391 1.00 0.00 N ATOM 762 CA GLN A 49 -3.882 10.578 -7.512 1.00 0.00 C ATOM 763 C GLN A 49 -3.985 11.315 -6.175 1.00 0.00 C ATOM 764 O GLN A 49 -3.375 12.367 -5.985 1.00 0.00 O ATOM 765 CB GLN A 49 -5.039 11.023 -8.409 1.00 0.00 C ATOM 766 CG GLN A 49 -4.733 10.733 -9.880 1.00 0.00 C ATOM 767 CD GLN A 49 -5.987 10.730 -10.756 1.00 0.00 C ATOM 768 OE1 GLN A 49 -7.003 11.364 -10.478 1.00 0.00 O ATOM 769 NE2 GLN A 49 -5.908 10.114 -11.932 1.00 0.00 N ATOM 0 H GLN A 49 -4.677 8.693 -7.922 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.911 10.835 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.952 10.506 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.219 12.090 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.035 11.481 -10.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.237 9.766 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.071 9.585 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.685 10.171 -12.591 1.00 0.00 H new ATOM 778 N ASN A 50 -4.681 10.688 -5.232 1.00 0.00 N ATOM 779 CA ASN A 50 -4.835 11.209 -3.867 1.00 0.00 C ATOM 780 C ASN A 50 -4.108 10.399 -2.791 1.00 0.00 C ATOM 781 O ASN A 50 -4.028 10.849 -1.649 1.00 0.00 O ATOM 782 CB ASN A 50 -6.323 11.315 -3.528 1.00 0.00 C ATOM 783 CG ASN A 50 -6.995 12.394 -4.380 1.00 0.00 C ATOM 784 OD1 ASN A 50 -6.834 13.590 -4.145 1.00 0.00 O ATOM 785 ND2 ASN A 50 -7.739 12.026 -5.420 1.00 0.00 N ATOM 0 H ASN A 50 -5.158 9.800 -5.388 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.362 12.191 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.809 10.355 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.445 11.551 -2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.170 12.734 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.878 11.036 -5.623 1.00 0.00 H new ATOM 792 N ALA A 51 -3.423 9.336 -3.202 1.00 0.00 N ATOM 793 CA ALA A 51 -2.583 8.552 -2.286 1.00 0.00 C ATOM 794 C ALA A 51 -1.288 9.310 -1.985 1.00 0.00 C ATOM 795 O ALA A 51 -0.738 9.990 -2.850 1.00 0.00 O ATOM 796 CB ALA A 51 -2.228 7.193 -2.893 1.00 0.00 C ATOM 0 H ALA A 51 -3.429 8.993 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.148 8.395 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.606 6.634 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.142 6.634 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.683 7.342 -3.825 1.00 0.00 H new ATOM 802 N ASP A 52 -0.930 9.311 -0.704 1.00 0.00 N ATOM 803 CA ASP A 52 0.355 9.853 -0.240 1.00 0.00 C ATOM 804 C ASP A 52 1.479 8.841 -0.470 1.00 0.00 C ATOM 805 O ASP A 52 2.619 9.232 -0.715 1.00 0.00 O ATOM 806 CB ASP A 52 0.299 10.278 1.229 1.00 0.00 C ATOM 807 CG ASP A 52 -0.627 11.469 1.483 1.00 0.00 C ATOM 808 OD1 ASP A 52 -0.152 12.615 1.328 1.00 0.00 O ATOM 809 OD2 ASP A 52 -1.756 11.208 1.954 1.00 0.00 O ATOM 0 H ASP A 52 -1.516 8.939 0.043 1.00 0.00 H new ATOM 0 HA ASP A 52 0.564 10.747 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.035 9.433 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.305 10.531 1.565 1.00 0.00 H new ATOM 814 N VAL A 53 1.137 7.556 -0.426 1.00 0.00 N ATOM 815 CA VAL A 53 1.971 6.473 -0.968 1.00 0.00 C ATOM 816 C VAL A 53 1.077 5.394 -1.582 1.00 0.00 C ATOM 817 O VAL A 53 -0.018 5.094 -1.110 1.00 0.00 O ATOM 818 CB VAL A 53 2.939 5.915 0.077 1.00 0.00 C ATOM 819 CG1 VAL A 53 2.226 5.251 1.257 1.00 0.00 C ATOM 820 CG2 VAL A 53 3.931 4.948 -0.574 1.00 0.00 C ATOM 0 H VAL A 53 0.265 7.228 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 53 2.602 6.879 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 53 3.485 6.765 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.965 4.875 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.587 5.981 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.617 4.423 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.612 4.561 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.387 4.121 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.501 5.473 -1.340 1.00 0.00 H new ATOM 830 N VAL A 54 1.588 4.885 -2.700 1.00 0.00 N ATOM 831 CA VAL A 54 1.026 3.740 -3.432 1.00 0.00 C ATOM 832 C VAL A 54 1.966 2.558 -3.193 1.00 0.00 C ATOM 833 O VAL A 54 3.165 2.605 -3.470 1.00 0.00 O ATOM 834 CB VAL A 54 0.944 4.073 -4.923 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.398 2.906 -5.748 1.00 0.00 C ATOM 836 CG2 VAL A 54 0.049 5.289 -5.171 1.00 0.00 C ATOM 0 H VAL A 54 2.427 5.264 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 54 0.019 3.502 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 54 1.966 4.287 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.359 3.191 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.050 2.041 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.605 2.654 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.011 5.501 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.957 5.081 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.455 6.153 -4.644 1.00 0.00 H new ATOM 846 N LEU A 55 1.376 1.532 -2.585 1.00 0.00 N ATOM 847 CA LEU A 55 2.077 0.264 -2.336 1.00 0.00 C ATOM 848 C LEU A 55 1.502 -0.884 -3.169 1.00 0.00 C ATOM 849 O LEU A 55 0.290 -1.062 -3.285 1.00 0.00 O ATOM 850 CB LEU A 55 2.033 -0.088 -0.848 1.00 0.00 C ATOM 851 CG LEU A 55 2.923 0.826 -0.003 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.582 0.616 1.473 1.00 0.00 C ATOM 853 CD2 LEU A 55 4.417 0.570 -0.215 1.00 0.00 C ATOM 0 H LEU A 55 0.412 1.549 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 55 3.114 0.403 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.005 -0.019 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.348 -1.123 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 55 2.728 1.852 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.210 1.262 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.534 0.861 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.759 -0.425 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.995 1.249 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.651 -0.460 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.670 0.738 -1.262 1.00 0.00 H new ATOM 865 N LEU A 56 2.431 -1.601 -3.793 1.00 0.00 N ATOM 866 CA LEU A 56 2.136 -2.750 -4.662 1.00 0.00 C ATOM 867 C LEU A 56 2.472 -4.099 -4.024 1.00 0.00 C ATOM 868 O LEU A 56 3.484 -4.265 -3.344 1.00 0.00 O ATOM 869 CB LEU A 56 2.914 -2.685 -5.978 1.00 0.00 C ATOM 870 CG LEU A 56 2.265 -1.855 -7.086 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.252 -0.354 -6.788 1.00 0.00 C ATOM 872 CD2 LEU A 56 2.985 -2.112 -8.411 1.00 0.00 C ATOM 0 H LEU A 56 3.428 -1.402 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 56 1.062 -2.683 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.904 -2.277 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.057 -3.701 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 56 1.224 -2.172 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.778 0.177 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.694 -0.170 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.275 0.002 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.520 -1.519 -9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.034 -1.830 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.915 -3.170 -8.664 1.00 0.00 H new ATOM 884 N GLY A 57 1.581 -5.046 -4.301 1.00 0.00 N ATOM 885 CA GLY A 57 1.765 -6.478 -4.022 1.00 0.00 C ATOM 886 C GLY A 57 2.935 -7.031 -4.840 1.00 0.00 C ATOM 887 O GLY A 57 2.982 -6.764 -6.040 1.00 0.00 O ATOM 0 H GLY A 57 0.683 -4.839 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.953 -6.627 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.853 -7.023 -4.264 1.00 0.00 H new ATOM 891 N PRO A 58 3.810 -7.844 -4.257 1.00 0.00 N ATOM 892 CA PRO A 58 4.981 -8.380 -4.967 1.00 0.00 C ATOM 893 C PRO A 58 4.655 -9.163 -6.240 1.00 0.00 C ATOM 894 O PRO A 58 5.410 -9.121 -7.211 1.00 0.00 O ATOM 895 CB PRO A 58 5.743 -9.225 -3.946 1.00 0.00 C ATOM 896 CG PRO A 58 4.733 -9.504 -2.831 1.00 0.00 C ATOM 897 CD PRO A 58 3.813 -8.281 -2.854 1.00 0.00 C ATOM 0 HA PRO A 58 5.584 -7.554 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.105 -10.152 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.615 -8.693 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.179 -10.424 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.225 -9.616 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.808 -8.535 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.182 -7.495 -2.195 1.00 0.00 H new ATOM 905 N GLN A 59 3.458 -9.739 -6.303 1.00 0.00 N ATOM 906 CA GLN A 59 2.924 -10.428 -7.488 1.00 0.00 C ATOM 907 C GLN A 59 2.670 -9.523 -8.695 1.00 0.00 C ATOM 908 O GLN A 59 2.852 -9.954 -9.832 1.00 0.00 O ATOM 909 CB GLN A 59 1.655 -11.219 -7.164 1.00 0.00 C ATOM 910 CG GLN A 59 0.514 -10.422 -6.531 1.00 0.00 C ATOM 911 CD GLN A 59 0.556 -10.393 -5.002 1.00 0.00 C ATOM 912 OE1 GLN A 59 1.599 -10.377 -4.350 1.00 0.00 O ATOM 913 NE2 GLN A 59 -0.619 -10.291 -4.387 1.00 0.00 N ATOM 0 H GLN A 59 2.811 -9.743 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 59 3.722 -11.113 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.288 -11.673 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.920 -12.034 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.546 -9.399 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.436 -10.849 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.482 -10.305 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.657 -10.199 -3.372 1.00 0.00 H new ATOM 922 N ILE A 60 2.398 -8.245 -8.446 1.00 0.00 N ATOM 923 CA ILE A 60 2.223 -7.260 -9.524 1.00 0.00 C ATOM 924 C ILE A 60 3.362 -6.239 -9.570 1.00 0.00 C ATOM 925 O ILE A 60 3.296 -5.229 -10.269 1.00 0.00 O ATOM 926 CB ILE A 60 0.864 -6.559 -9.493 1.00 0.00 C ATOM 927 CG1 ILE A 60 0.626 -5.754 -8.215 1.00 0.00 C ATOM 928 CG2 ILE A 60 -0.251 -7.577 -9.742 1.00 0.00 C ATOM 929 CD1 ILE A 60 -0.343 -4.593 -8.447 1.00 0.00 C ATOM 0 H ILE A 60 2.293 -7.861 -7.507 1.00 0.00 H new ATOM 0 HA ILE A 60 2.255 -7.841 -10.446 1.00 0.00 H new ATOM 0 HB ILE A 60 0.859 -5.823 -10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.228 -6.410 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.576 -5.367 -7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.217 -7.072 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.108 -8.042 -10.717 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.224 -8.343 -8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.485 -4.046 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.067 -3.922 -9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.302 -4.982 -8.789 1.00 0.00 H new ATOM 941 N ALA A 61 4.498 -6.639 -9.006 1.00 0.00 N ATOM 942 CA ALA A 61 5.721 -5.823 -8.959 1.00 0.00 C ATOM 943 C ALA A 61 6.321 -5.548 -10.339 1.00 0.00 C ATOM 944 O ALA A 61 6.899 -4.485 -10.559 1.00 0.00 O ATOM 945 CB ALA A 61 6.769 -6.526 -8.094 1.00 0.00 C ATOM 0 H ALA A 61 4.603 -7.551 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 61 5.437 -4.860 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.676 -5.922 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.380 -6.656 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.999 -7.502 -8.522 1.00 0.00 H new ATOM 951 N TYR A 62 6.087 -6.463 -11.276 1.00 0.00 N ATOM 952 CA TYR A 62 6.491 -6.277 -12.678 1.00 0.00 C ATOM 953 C TYR A 62 5.862 -5.041 -13.325 1.00 0.00 C ATOM 954 O TYR A 62 6.492 -4.416 -14.176 1.00 0.00 O ATOM 955 CB TYR A 62 6.215 -7.536 -13.501 1.00 0.00 C ATOM 956 CG TYR A 62 4.741 -7.825 -13.797 1.00 0.00 C ATOM 957 CD1 TYR A 62 3.932 -8.395 -12.820 1.00 0.00 C ATOM 958 CD2 TYR A 62 4.248 -7.492 -15.053 1.00 0.00 C ATOM 959 CE1 TYR A 62 2.589 -8.616 -13.099 1.00 0.00 C ATOM 960 CE2 TYR A 62 2.909 -7.736 -15.343 1.00 0.00 C ATOM 961 CZ TYR A 62 2.098 -8.282 -14.355 1.00 0.00 C ATOM 962 OH TYR A 62 0.805 -8.570 -14.667 1.00 0.00 O ATOM 0 H TYR A 62 5.616 -7.349 -11.093 1.00 0.00 H new ATOM 0 HA TYR A 62 7.567 -6.101 -12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.747 -7.453 -14.448 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.635 -8.392 -12.974 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.342 -8.662 -11.857 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.896 -7.049 -15.795 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.936 -9.041 -12.351 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.507 -7.505 -16.318 1.00 0.00 H new ATOM 0 HH TYR A 62 0.615 -8.273 -15.581 1.00 0.00 H new ATOM 972 N MET A 63 4.697 -4.628 -12.833 1.00 0.00 N ATOM 973 CA MET A 63 4.011 -3.411 -13.290 1.00 0.00 C ATOM 974 C MET A 63 4.459 -2.121 -12.600 1.00 0.00 C ATOM 975 O MET A 63 4.004 -1.053 -13.007 1.00 0.00 O ATOM 976 CB MET A 63 2.503 -3.584 -13.107 1.00 0.00 C ATOM 977 CG MET A 63 1.877 -4.402 -14.239 1.00 0.00 C ATOM 978 SD MET A 63 0.059 -4.236 -14.368 1.00 0.00 S ATOM 979 CE MET A 63 -0.490 -4.947 -12.832 1.00 0.00 C ATOM 0 H MET A 63 4.194 -5.129 -12.100 1.00 0.00 H new ATOM 0 HA MET A 63 4.281 -3.294 -14.340 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.308 -4.076 -12.154 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.029 -2.604 -13.063 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.326 -4.097 -15.184 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.125 -5.453 -14.093 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.394 -5.531 -13.004 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.290 -5.594 -12.431 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.703 -4.151 -12.118 1.00 0.00 H new ATOM 989 N LEU A 64 5.441 -2.163 -11.705 1.00 0.00 N ATOM 990 CA LEU A 64 5.990 -0.951 -11.081 1.00 0.00 C ATOM 991 C LEU A 64 6.414 0.109 -12.101 1.00 0.00 C ATOM 992 O LEU A 64 5.835 1.189 -12.000 1.00 0.00 O ATOM 993 CB LEU A 64 7.071 -1.313 -10.061 1.00 0.00 C ATOM 994 CG LEU A 64 7.644 -0.034 -9.448 1.00 0.00 C ATOM 995 CD1 LEU A 64 6.758 0.489 -8.316 1.00 0.00 C ATOM 996 CD2 LEU A 64 9.093 -0.207 -8.988 1.00 0.00 C ATOM 0 H LEU A 64 5.880 -3.028 -11.390 1.00 0.00 H new ATOM 0 HA LEU A 64 5.188 -0.466 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.651 -1.947 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.864 -1.885 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 64 7.652 0.716 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.194 1.398 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.763 0.708 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.684 -0.266 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.453 0.729 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.144 -0.993 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.715 -0.480 -9.840 1.00 0.00 H new ATOM 1008 N PRO A 65 7.161 -0.179 -13.162 1.00 0.00 N ATOM 1009 CA PRO A 65 7.454 0.805 -14.214 1.00 0.00 C ATOM 1010 C PRO A 65 6.214 1.465 -14.819 1.00 0.00 C ATOM 1011 O PRO A 65 6.177 2.688 -14.944 1.00 0.00 O ATOM 1012 CB PRO A 65 8.210 0.042 -15.305 1.00 0.00 C ATOM 1013 CG PRO A 65 8.888 -1.100 -14.546 1.00 0.00 C ATOM 1014 CD PRO A 65 7.892 -1.426 -13.432 1.00 0.00 C ATOM 0 HA PRO A 65 8.028 1.623 -13.778 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.534 -0.334 -16.073 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.939 0.678 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.066 -1.961 -15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.855 -0.797 -14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.210 -2.219 -13.739 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.408 -1.777 -12.538 1.00 0.00 H new ATOM 1022 N GLU A 66 5.148 0.686 -14.989 1.00 0.00 N ATOM 1023 CA GLU A 66 3.912 1.145 -15.638 1.00 0.00 C ATOM 1024 C GLU A 66 3.046 2.005 -14.715 1.00 0.00 C ATOM 1025 O GLU A 66 2.539 3.061 -15.091 1.00 0.00 O ATOM 1026 CB GLU A 66 3.124 -0.080 -16.106 1.00 0.00 C ATOM 1027 CG GLU A 66 2.264 0.215 -17.336 1.00 0.00 C ATOM 1028 CD GLU A 66 3.118 0.384 -18.595 1.00 0.00 C ATOM 1029 OE1 GLU A 66 3.420 -0.663 -19.206 1.00 0.00 O ATOM 1030 OE2 GLU A 66 3.459 1.541 -18.921 1.00 0.00 O ATOM 0 H GLU A 66 5.112 -0.286 -14.681 1.00 0.00 H new ATOM 0 HA GLU A 66 4.187 1.776 -16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.818 -0.889 -16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.485 -0.429 -15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.552 -0.596 -17.485 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.683 1.122 -17.165 1.00 0.00 H new ATOM 1037 N ILE A 67 3.002 1.622 -13.442 1.00 0.00 N ATOM 1038 CA ILE A 67 2.296 2.351 -12.379 1.00 0.00 C ATOM 1039 C ILE A 67 3.027 3.664 -12.091 1.00 0.00 C ATOM 1040 O ILE A 67 2.398 4.707 -11.920 1.00 0.00 O ATOM 1041 CB ILE A 67 2.197 1.483 -11.123 1.00 0.00 C ATOM 1042 CG1 ILE A 67 1.531 0.131 -11.384 1.00 0.00 C ATOM 1043 CG2 ILE A 67 1.490 2.218 -9.982 1.00 0.00 C ATOM 1044 CD1 ILE A 67 0.102 0.108 -11.930 1.00 0.00 C ATOM 0 H ILE A 67 3.465 0.777 -13.108 1.00 0.00 H new ATOM 0 HA ILE A 67 1.282 2.584 -12.703 1.00 0.00 H new ATOM 0 HB ILE A 67 3.224 1.281 -10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.161 -0.418 -12.084 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.536 -0.426 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.439 1.569 -9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.046 3.122 -9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.481 2.488 -10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.222 -0.925 -12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.563 0.612 -11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.072 0.620 -12.892 1.00 0.00 H new ATOM 1056 N GLN A 68 4.356 3.611 -12.099 1.00 0.00 N ATOM 1057 CA GLN A 68 5.240 4.777 -11.959 1.00 0.00 C ATOM 1058 C GLN A 68 5.008 5.775 -13.095 1.00 0.00 C ATOM 1059 O GLN A 68 4.951 6.985 -12.880 1.00 0.00 O ATOM 1060 CB GLN A 68 6.689 4.289 -12.032 1.00 0.00 C ATOM 1061 CG GLN A 68 7.668 5.264 -11.375 1.00 0.00 C ATOM 1062 CD GLN A 68 7.852 4.911 -9.898 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.379 3.860 -9.539 1.00 0.00 O ATOM 1064 NE2 GLN A 68 7.460 5.796 -8.986 1.00 0.00 N ATOM 0 H GLN A 68 4.867 2.735 -12.206 1.00 0.00 H new ATOM 0 HA GLN A 68 5.032 5.270 -11.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.767 3.317 -11.545 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.969 4.146 -13.076 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.629 5.227 -11.888 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.295 6.284 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.022 6.670 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.597 5.601 -7.994 1.00 0.00 H new ATOM 1073 N ARG A 69 4.826 5.238 -14.298 1.00 0.00 N ATOM 1074 CA ARG A 69 4.512 5.984 -15.525 1.00 0.00 C ATOM 1075 C ARG A 69 3.193 6.750 -15.398 1.00 0.00 C ATOM 1076 O ARG A 69 3.066 7.859 -15.915 1.00 0.00 O ATOM 1077 CB ARG A 69 4.469 4.920 -16.623 1.00 0.00 C ATOM 1078 CG ARG A 69 4.017 5.378 -18.011 1.00 0.00 C ATOM 1079 CD ARG A 69 5.072 6.228 -18.724 1.00 0.00 C ATOM 1080 NE ARG A 69 4.586 6.470 -20.090 1.00 0.00 N ATOM 1081 CZ ARG A 69 4.109 7.628 -20.565 1.00 0.00 C ATOM 1082 NH1 ARG A 69 4.041 8.730 -19.806 1.00 0.00 N ATOM 1083 NH2 ARG A 69 3.582 7.663 -21.796 1.00 0.00 N ATOM 0 H ARG A 69 4.895 4.233 -14.457 1.00 0.00 H new ATOM 0 HA ARG A 69 5.252 6.753 -15.744 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.465 4.487 -16.716 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.804 4.121 -16.296 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.787 4.504 -18.621 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.096 5.953 -17.918 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.226 7.170 -18.198 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.032 5.713 -18.743 1.00 0.00 H new ATOM 0 HE ARG A 69 4.615 5.682 -20.737 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.358 8.702 -18.837 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.673 9.597 -20.197 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.547 6.814 -22.360 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.215 8.539 -22.169 1.00 0.00 H new ATOM 1097 N LEU A 70 2.210 6.081 -14.801 1.00 0.00 N ATOM 1098 CA LEU A 70 0.880 6.618 -14.483 1.00 0.00 C ATOM 1099 C LEU A 70 0.922 7.680 -13.382 1.00 0.00 C ATOM 1100 O LEU A 70 0.224 8.691 -13.454 1.00 0.00 O ATOM 1101 CB LEU A 70 -0.007 5.466 -14.006 1.00 0.00 C ATOM 1102 CG LEU A 70 -0.533 4.594 -15.148 1.00 0.00 C ATOM 1103 CD1 LEU A 70 -1.080 3.278 -14.589 1.00 0.00 C ATOM 1104 CD2 LEU A 70 -1.671 5.288 -15.900 1.00 0.00 C ATOM 0 H LEU A 70 2.318 5.109 -14.512 1.00 0.00 H new ATOM 0 HA LEU A 70 0.489 7.088 -15.385 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.559 4.843 -13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.852 5.873 -13.450 1.00 0.00 H new ATOM 0 HG LEU A 70 0.299 4.414 -15.829 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.453 2.662 -15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.285 2.746 -14.067 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.893 3.488 -13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.022 4.642 -16.705 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.492 5.490 -15.212 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.310 6.227 -16.320 1.00 0.00 H new ATOM 1116 N LEU A 71 1.666 7.370 -12.325 1.00 0.00 N ATOM 1117 CA LEU A 71 1.787 8.191 -11.111 1.00 0.00 C ATOM 1118 C LEU A 71 3.250 8.544 -10.836 1.00 0.00 C ATOM 1119 O LEU A 71 3.866 8.008 -9.916 1.00 0.00 O ATOM 1120 CB LEU A 71 1.202 7.417 -9.928 1.00 0.00 C ATOM 1121 CG LEU A 71 -0.214 6.890 -10.164 1.00 0.00 C ATOM 1122 CD1 LEU A 71 -0.501 5.748 -9.186 1.00 0.00 C ATOM 1123 CD2 LEU A 71 -1.278 7.982 -10.044 1.00 0.00 C ATOM 0 H LEU A 71 2.221 6.515 -12.282 1.00 0.00 H new ATOM 0 HA LEU A 71 1.238 9.122 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.857 6.577 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.195 8.065 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.264 6.522 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.510 5.371 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.218 4.944 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.415 6.115 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.263 7.551 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.245 8.414 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.085 8.761 -10.782 1.00 0.00 H new ATOM 1135 N PRO A 72 3.822 9.491 -11.573 1.00 0.00 N ATOM 1136 CA PRO A 72 5.203 9.928 -11.321 1.00 0.00 C ATOM 1137 C PRO A 72 5.342 10.898 -10.146 1.00 0.00 C ATOM 1138 O PRO A 72 6.377 10.934 -9.484 1.00 0.00 O ATOM 1139 CB PRO A 72 5.659 10.564 -12.636 1.00 0.00 C ATOM 1140 CG PRO A 72 4.364 11.090 -13.258 1.00 0.00 C ATOM 1141 CD PRO A 72 3.316 10.061 -12.830 1.00 0.00 C ATOM 0 HA PRO A 72 5.822 9.081 -11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.375 11.368 -12.464 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.147 9.836 -13.284 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.120 12.087 -12.892 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.439 11.158 -14.343 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.342 10.528 -12.686 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.190 9.289 -13.589 1.00 0.00 H new ATOM 1149 N ASN A 73 4.242 11.564 -9.806 1.00 0.00 N ATOM 1150 CA ASN A 73 4.223 12.551 -8.716 1.00 0.00 C ATOM 1151 C ASN A 73 3.963 11.937 -7.339 1.00 0.00 C ATOM 1152 O ASN A 73 3.748 12.647 -6.358 1.00 0.00 O ATOM 1153 CB ASN A 73 3.163 13.620 -8.991 1.00 0.00 C ATOM 1154 CG ASN A 73 3.342 14.266 -10.366 1.00 0.00 C ATOM 1155 OD1 ASN A 73 2.570 14.014 -11.290 1.00 0.00 O ATOM 1156 ND2 ASN A 73 4.473 14.923 -10.611 1.00 0.00 N ATOM 0 H ASN A 73 3.342 11.441 -10.270 1.00 0.00 H new ATOM 0 HA ASN A 73 5.220 12.990 -8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.171 13.172 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.215 14.389 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.697 15.216 -11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.116 15.134 -9.848 1.00 0.00 H new ATOM 1163 N LYS A 74 3.959 10.608 -7.288 1.00 0.00 N ATOM 1164 CA LYS A 74 3.669 9.849 -6.063 1.00 0.00 C ATOM 1165 C LYS A 74 4.775 8.824 -5.806 1.00 0.00 C ATOM 1166 O LYS A 74 5.328 8.296 -6.771 1.00 0.00 O ATOM 1167 CB LYS A 74 2.338 9.110 -6.219 1.00 0.00 C ATOM 1168 CG LYS A 74 1.115 9.995 -6.473 1.00 0.00 C ATOM 1169 CD LYS A 74 0.845 10.985 -5.338 1.00 0.00 C ATOM 1170 CE LYS A 74 -0.417 11.806 -5.614 1.00 0.00 C ATOM 1171 NZ LYS A 74 -0.680 12.667 -4.452 1.00 0.00 N ATOM 0 H LYS A 74 4.157 10.019 -8.097 1.00 0.00 H new ATOM 0 HA LYS A 74 3.614 10.544 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.430 8.403 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.160 8.525 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.260 10.547 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.238 9.362 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.733 10.444 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.699 11.652 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.286 12.411 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.265 11.146 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.564 13.194 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.769 12.080 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.106 13.337 -4.331 1.00 0.00 H new ATOM 1185 N PRO A 75 5.179 8.630 -4.554 1.00 0.00 N ATOM 1186 CA PRO A 75 6.087 7.535 -4.185 1.00 0.00 C ATOM 1187 C PRO A 75 5.346 6.199 -4.265 1.00 0.00 C ATOM 1188 O PRO A 75 4.261 6.015 -3.718 1.00 0.00 O ATOM 1189 CB PRO A 75 6.586 7.861 -2.776 1.00 0.00 C ATOM 1190 CG PRO A 75 5.499 8.775 -2.204 1.00 0.00 C ATOM 1191 CD PRO A 75 4.969 9.540 -3.418 1.00 0.00 C ATOM 0 HA PRO A 75 6.937 7.442 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.706 6.959 -2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.555 8.359 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.709 8.199 -1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.904 9.453 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.914 9.789 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.504 10.479 -3.559 1.00 0.00 H new ATOM 1199 N VAL A 76 5.833 5.450 -5.251 1.00 0.00 N ATOM 1200 CA VAL A 76 5.238 4.156 -5.618 1.00 0.00 C ATOM 1201 C VAL A 76 6.291 3.070 -5.391 1.00 0.00 C ATOM 1202 O VAL A 76 7.186 2.883 -6.213 1.00 0.00 O ATOM 1203 CB VAL A 76 4.773 4.153 -7.076 1.00 0.00 C ATOM 1204 CG1 VAL A 76 4.035 2.853 -7.401 1.00 0.00 C ATOM 1205 CG2 VAL A 76 3.853 5.321 -7.437 1.00 0.00 C ATOM 0 H VAL A 76 6.641 5.713 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 76 4.360 3.969 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 76 5.685 4.252 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.712 2.869 -8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.702 2.006 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.165 2.757 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.567 5.248 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.959 5.286 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.376 6.262 -7.268 1.00 0.00 H new ATOM 1215 N GLU A 77 6.000 2.272 -4.367 1.00 0.00 N ATOM 1216 CA GLU A 77 6.899 1.203 -3.910 1.00 0.00 C ATOM 1217 C GLU A 77 6.185 -0.144 -3.797 1.00 0.00 C ATOM 1218 O GLU A 77 4.965 -0.251 -3.676 1.00 0.00 O ATOM 1219 CB GLU A 77 7.501 1.565 -2.551 1.00 0.00 C ATOM 1220 CG GLU A 77 8.422 2.787 -2.557 1.00 0.00 C ATOM 1221 CD GLU A 77 9.636 2.633 -3.475 1.00 0.00 C ATOM 1222 OE1 GLU A 77 10.457 1.734 -3.194 1.00 0.00 O ATOM 1223 OE2 GLU A 77 9.734 3.462 -4.406 1.00 0.00 O ATOM 0 H GLU A 77 5.137 2.344 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 77 7.686 1.108 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.689 1.744 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.062 0.708 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.850 3.661 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.767 2.977 -1.541 1.00 0.00 H new ATOM 1230 N VAL A 78 7.010 -1.184 -3.890 1.00 0.00 N ATOM 1231 CA VAL A 78 6.585 -2.586 -3.764 1.00 0.00 C ATOM 1232 C VAL A 78 6.791 -3.053 -2.321 1.00 0.00 C ATOM 1233 O VAL A 78 7.823 -2.798 -1.703 1.00 0.00 O ATOM 1234 CB VAL A 78 7.382 -3.446 -4.747 1.00 0.00 C ATOM 1235 CG1 VAL A 78 7.035 -4.933 -4.657 1.00 0.00 C ATOM 1236 CG2 VAL A 78 7.162 -3.018 -6.200 1.00 0.00 C ATOM 0 H VAL A 78 8.011 -1.080 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 78 5.526 -2.683 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 78 8.422 -3.294 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.633 -5.490 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.248 -5.296 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.977 -5.074 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.748 -3.657 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.105 -3.110 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.476 -1.982 -6.326 1.00 0.00 H new ATOM 1246 N ILE A 79 5.797 -3.770 -1.805 1.00 0.00 N ATOM 1247 CA ILE A 79 5.856 -4.438 -0.497 1.00 0.00 C ATOM 1248 C ILE A 79 6.785 -5.647 -0.636 1.00 0.00 C ATOM 1249 O ILE A 79 6.601 -6.498 -1.505 1.00 0.00 O ATOM 1250 CB ILE A 79 4.469 -4.890 -0.037 1.00 0.00 C ATOM 1251 CG1 ILE A 79 3.501 -3.706 0.035 1.00 0.00 C ATOM 1252 CG2 ILE A 79 4.540 -5.577 1.329 1.00 0.00 C ATOM 1253 CD1 ILE A 79 2.034 -4.120 -0.102 1.00 0.00 C ATOM 0 H ILE A 79 4.910 -3.909 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 79 6.231 -3.742 0.253 1.00 0.00 H new ATOM 0 HB ILE A 79 4.099 -5.604 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.639 -3.189 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.747 -2.995 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.540 -5.888 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.188 -6.451 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.942 -4.882 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.399 -3.236 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.883 -4.611 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.774 -4.808 0.702 1.00 0.00 H new ATOM 1265 N ASP A 80 7.738 -5.698 0.289 1.00 0.00 N ATOM 1266 CA ASP A 80 8.677 -6.820 0.432 1.00 0.00 C ATOM 1267 C ASP A 80 7.951 -8.153 0.620 1.00 0.00 C ATOM 1268 O ASP A 80 7.068 -8.309 1.462 1.00 0.00 O ATOM 1269 CB ASP A 80 9.613 -6.546 1.610 1.00 0.00 C ATOM 1270 CG ASP A 80 10.492 -7.741 1.983 1.00 0.00 C ATOM 1271 OD1 ASP A 80 10.990 -8.434 1.070 1.00 0.00 O ATOM 1272 OD2 ASP A 80 10.430 -8.108 3.177 1.00 0.00 O ATOM 0 H ASP A 80 7.887 -4.955 0.972 1.00 0.00 H new ATOM 0 HA ASP A 80 9.256 -6.902 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.252 -5.697 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.018 -6.258 2.477 1.00 0.00 H new ATOM 1277 N SER A 81 8.335 -9.087 -0.245 1.00 0.00 N ATOM 1278 CA SER A 81 7.837 -10.470 -0.256 1.00 0.00 C ATOM 1279 C SER A 81 7.906 -11.170 1.103 1.00 0.00 C ATOM 1280 O SER A 81 6.993 -11.906 1.474 1.00 0.00 O ATOM 1281 CB SER A 81 8.617 -11.301 -1.278 1.00 0.00 C ATOM 1282 OG SER A 81 8.462 -10.727 -2.578 1.00 0.00 O ATOM 0 H SER A 81 9.019 -8.904 -0.979 1.00 0.00 H new ATOM 0 HA SER A 81 6.783 -10.400 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.672 -11.333 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.256 -12.329 -1.278 1.00 0.00 H new ATOM 0 HG SER A 81 8.963 -11.258 -3.232 1.00 0.00 H new ATOM 1288 N LEU A 82 8.950 -10.879 1.874 1.00 0.00 N ATOM 1289 CA LEU A 82 9.177 -11.438 3.214 1.00 0.00 C ATOM 1290 C LEU A 82 8.197 -10.872 4.243 1.00 0.00 C ATOM 1291 O LEU A 82 7.573 -11.636 4.978 1.00 0.00 O ATOM 1292 CB LEU A 82 10.648 -11.172 3.546 1.00 0.00 C ATOM 1293 CG LEU A 82 11.039 -11.521 4.983 1.00 0.00 C ATOM 1294 CD1 LEU A 82 10.981 -13.028 5.245 1.00 0.00 C ATOM 1295 CD2 LEU A 82 12.441 -11.007 5.315 1.00 0.00 C ATOM 0 H LEU A 82 9.683 -10.232 1.582 1.00 0.00 H new ATOM 0 HA LEU A 82 8.985 -12.511 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.273 -11.746 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.864 -10.119 3.368 1.00 0.00 H new ATOM 0 HG LEU A 82 10.310 -11.029 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.266 -13.229 6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.967 -13.389 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.668 -13.541 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.691 -11.270 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.165 -11.461 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.468 -9.923 5.201 1.00 0.00 H new ATOM 1307 N LEU A 83 8.024 -9.553 4.269 1.00 0.00 N ATOM 1308 CA LEU A 83 7.018 -8.869 5.094 1.00 0.00 C ATOM 1309 C LEU A 83 5.591 -9.329 4.788 1.00 0.00 C ATOM 1310 O LEU A 83 4.766 -9.467 5.689 1.00 0.00 O ATOM 1311 CB LEU A 83 7.063 -7.353 4.888 1.00 0.00 C ATOM 1312 CG LEU A 83 8.308 -6.681 5.470 1.00 0.00 C ATOM 1313 CD1 LEU A 83 8.283 -5.184 5.155 1.00 0.00 C ATOM 1314 CD2 LEU A 83 8.402 -6.862 6.987 1.00 0.00 C ATOM 0 H LEU A 83 8.587 -8.913 3.709 1.00 0.00 H new ATOM 0 HA LEU A 83 7.269 -9.127 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.014 -7.140 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.177 -6.909 5.342 1.00 0.00 H new ATOM 0 HG LEU A 83 9.176 -7.156 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.172 -4.710 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.267 -5.040 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.392 -4.735 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.301 -6.369 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.525 -6.421 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.447 -7.925 7.225 1.00 0.00 H new ATOM 1326 N TYR A 84 5.350 -9.560 3.501 1.00 0.00 N ATOM 1327 CA TYR A 84 4.086 -10.070 2.950 1.00 0.00 C ATOM 1328 C TYR A 84 3.822 -11.514 3.381 1.00 0.00 C ATOM 1329 O TYR A 84 2.708 -11.833 3.794 1.00 0.00 O ATOM 1330 CB TYR A 84 4.126 -9.968 1.424 1.00 0.00 C ATOM 1331 CG TYR A 84 2.745 -9.919 0.767 1.00 0.00 C ATOM 1332 CD1 TYR A 84 2.097 -8.692 0.674 1.00 0.00 C ATOM 1333 CD2 TYR A 84 2.219 -11.060 0.171 1.00 0.00 C ATOM 1334 CE1 TYR A 84 0.916 -8.591 -0.053 1.00 0.00 C ATOM 1335 CE2 TYR A 84 1.043 -10.964 -0.565 1.00 0.00 C ATOM 1336 CZ TYR A 84 0.408 -9.731 -0.664 1.00 0.00 C ATOM 1337 OH TYR A 84 -0.647 -9.624 -1.515 1.00 0.00 O ATOM 0 H TYR A 84 6.053 -9.393 2.781 1.00 0.00 H new ATOM 0 HA TYR A 84 3.269 -9.463 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.682 -9.073 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.676 -10.822 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.509 -7.822 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.719 -12.011 0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.403 -7.645 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.629 -11.834 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.360 -10.233 -1.230 1.00 0.00 H new ATOM 1347 N GLY A 85 4.866 -12.338 3.377 1.00 0.00 N ATOM 1348 CA GLY A 85 4.842 -13.736 3.828 1.00 0.00 C ATOM 1349 C GLY A 85 4.573 -13.861 5.329 1.00 0.00 C ATOM 1350 O GLY A 85 3.691 -14.607 5.751 1.00 0.00 O ATOM 0 H GLY A 85 5.787 -12.045 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.074 -14.279 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.796 -14.207 3.592 1.00 0.00 H new ATOM 1354 N LYS A 86 5.320 -13.088 6.113 1.00 0.00 N ATOM 1355 CA LYS A 86 5.172 -13.029 7.574 1.00 0.00 C ATOM 1356 C LYS A 86 3.848 -12.396 8.007 1.00 0.00 C ATOM 1357 O LYS A 86 3.360 -12.652 9.107 1.00 0.00 O ATOM 1358 CB LYS A 86 6.299 -12.200 8.195 1.00 0.00 C ATOM 1359 CG LYS A 86 7.697 -12.803 8.034 1.00 0.00 C ATOM 1360 CD LYS A 86 8.712 -12.179 8.993 1.00 0.00 C ATOM 1361 CE LYS A 86 8.955 -10.686 8.764 1.00 0.00 C ATOM 1362 NZ LYS A 86 9.974 -10.207 9.710 1.00 0.00 N ATOM 0 H LYS A 86 6.054 -12.477 5.754 1.00 0.00 H new ATOM 0 HA LYS A 86 5.204 -14.062 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.292 -11.207 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.094 -12.070 9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.649 -13.878 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.035 -12.661 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.367 -12.327 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.660 -12.709 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.284 -10.513 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.027 -10.130 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.141 -9.192 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.643 -10.360 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.860 -10.730 9.560 1.00 0.00 H new ATOM 1376 N VAL A 87 3.317 -11.554 7.125 1.00 0.00 N ATOM 1377 CA VAL A 87 2.141 -10.691 7.301 1.00 0.00 C ATOM 1378 C VAL A 87 2.357 -9.794 8.522 1.00 0.00 C ATOM 1379 O VAL A 87 1.629 -9.815 9.513 1.00 0.00 O ATOM 1380 CB VAL A 87 0.829 -11.477 7.362 1.00 0.00 C ATOM 1381 CG1 VAL A 87 -0.380 -10.548 7.238 1.00 0.00 C ATOM 1382 CG2 VAL A 87 0.717 -12.536 6.263 1.00 0.00 C ATOM 0 H VAL A 87 3.725 -11.445 6.196 1.00 0.00 H new ATOM 0 HA VAL A 87 2.037 -10.059 6.419 1.00 0.00 H new ATOM 0 HB VAL A 87 0.836 -11.973 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.297 -11.136 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.370 -9.826 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.336 -10.019 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.234 -13.060 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.770 -12.054 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.536 -13.249 6.360 1.00 0.00 H new ATOM 1392 N ASP A 88 3.378 -8.956 8.369 1.00 0.00 N ATOM 1393 CA ASP A 88 3.832 -8.010 9.398 1.00 0.00 C ATOM 1394 C ASP A 88 3.341 -6.603 9.050 1.00 0.00 C ATOM 1395 O ASP A 88 3.944 -5.843 8.294 1.00 0.00 O ATOM 1396 CB ASP A 88 5.357 -8.070 9.510 1.00 0.00 C ATOM 1397 CG ASP A 88 5.925 -7.339 10.728 1.00 0.00 C ATOM 1398 OD1 ASP A 88 5.316 -6.340 11.167 1.00 0.00 O ATOM 1399 OD2 ASP A 88 7.001 -7.802 11.165 1.00 0.00 O ATOM 0 H ASP A 88 3.928 -8.910 7.511 1.00 0.00 H new ATOM 0 HA ASP A 88 3.415 -8.279 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.666 -9.114 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.794 -7.643 8.607 1.00 0.00 H new ATOM 1404 N GLY A 89 2.151 -6.340 9.581 1.00 0.00 N ATOM 1405 CA GLY A 89 1.409 -5.090 9.363 1.00 0.00 C ATOM 1406 C GLY A 89 2.207 -3.839 9.734 1.00 0.00 C ATOM 1407 O GLY A 89 2.397 -2.958 8.897 1.00 0.00 O ATOM 0 H GLY A 89 1.661 -6.998 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.116 -5.028 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.491 -5.114 9.950 1.00 0.00 H new ATOM 1411 N LEU A 90 2.861 -3.895 10.892 1.00 0.00 N ATOM 1412 CA LEU A 90 3.607 -2.759 11.451 1.00 0.00 C ATOM 1413 C LEU A 90 4.842 -2.405 10.618 1.00 0.00 C ATOM 1414 O LEU A 90 5.123 -1.231 10.383 1.00 0.00 O ATOM 1415 CB LEU A 90 3.992 -3.098 12.892 1.00 0.00 C ATOM 1416 CG LEU A 90 4.673 -1.927 13.605 1.00 0.00 C ATOM 1417 CD1 LEU A 90 3.757 -0.709 13.736 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.159 -2.369 14.987 1.00 0.00 C ATOM 0 H LEU A 90 2.891 -4.731 11.475 1.00 0.00 H new ATOM 0 HA LEU A 90 2.970 -1.875 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.099 -3.387 13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.660 -3.959 12.894 1.00 0.00 H new ATOM 0 HG LEU A 90 5.523 -1.626 12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.289 0.093 14.249 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.458 -0.370 12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.870 -0.981 14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.642 -1.530 15.488 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.309 -2.706 15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.872 -3.186 14.878 1.00 0.00 H new ATOM 1430 N GLY A 91 5.539 -3.443 10.163 1.00 0.00 N ATOM 1431 CA GLY A 91 6.701 -3.362 9.267 1.00 0.00 C ATOM 1432 C GLY A 91 6.373 -2.596 7.983 1.00 0.00 C ATOM 1433 O GLY A 91 6.993 -1.575 7.687 1.00 0.00 O ATOM 0 H GLY A 91 5.305 -4.403 10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.525 -2.870 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.037 -4.368 9.015 1.00 0.00 H new ATOM 1437 N VAL A 92 5.228 -2.946 7.405 1.00 0.00 N ATOM 1438 CA VAL A 92 4.704 -2.321 6.182 1.00 0.00 C ATOM 1439 C VAL A 92 4.197 -0.907 6.475 1.00 0.00 C ATOM 1440 O VAL A 92 4.482 0.014 5.711 1.00 0.00 O ATOM 1441 CB VAL A 92 3.612 -3.197 5.563 1.00 0.00 C ATOM 1442 CG1 VAL A 92 3.093 -2.635 4.238 1.00 0.00 C ATOM 1443 CG2 VAL A 92 4.110 -4.612 5.260 1.00 0.00 C ATOM 0 H VAL A 92 4.625 -3.682 7.774 1.00 0.00 H new ATOM 0 HA VAL A 92 5.512 -2.235 5.455 1.00 0.00 H new ATOM 0 HB VAL A 92 2.819 -3.214 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.321 -3.294 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.674 -1.642 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.914 -2.568 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.301 -5.197 4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.943 -4.562 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.442 -5.086 6.184 1.00 0.00 H new ATOM 1453 N LEU A 93 3.568 -0.704 7.628 1.00 0.00 N ATOM 1454 CA LEU A 93 3.069 0.603 8.080 1.00 0.00 C ATOM 1455 C LEU A 93 4.206 1.617 8.227 1.00 0.00 C ATOM 1456 O LEU A 93 4.131 2.741 7.733 1.00 0.00 O ATOM 1457 CB LEU A 93 2.348 0.425 9.418 1.00 0.00 C ATOM 1458 CG LEU A 93 1.618 1.676 9.909 1.00 0.00 C ATOM 1459 CD1 LEU A 93 0.417 2.033 9.028 1.00 0.00 C ATOM 1460 CD2 LEU A 93 1.148 1.502 11.355 1.00 0.00 C ATOM 0 H LEU A 93 3.384 -1.455 8.293 1.00 0.00 H new ATOM 0 HA LEU A 93 2.378 0.990 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.629 -0.388 9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.075 0.123 10.172 1.00 0.00 H new ATOM 0 HG LEU A 93 2.337 2.494 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.067 2.928 9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.756 2.219 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.293 1.206 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.632 2.405 11.681 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.468 0.653 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.009 1.324 11.999 1.00 0.00 H new ATOM 1472 N LYS A 94 5.298 1.171 8.839 1.00 0.00 N ATOM 1473 CA LYS A 94 6.504 1.988 9.036 1.00 0.00 C ATOM 1474 C LYS A 94 7.230 2.308 7.728 1.00 0.00 C ATOM 1475 O LYS A 94 7.683 3.435 7.536 1.00 0.00 O ATOM 1476 CB LYS A 94 7.469 1.286 9.995 1.00 0.00 C ATOM 1477 CG LYS A 94 7.029 1.521 11.442 1.00 0.00 C ATOM 1478 CD LYS A 94 7.852 0.700 12.436 1.00 0.00 C ATOM 1479 CE LYS A 94 7.600 1.099 13.891 1.00 0.00 C ATOM 1480 NZ LYS A 94 8.226 2.398 14.180 1.00 0.00 N ATOM 0 H LYS A 94 5.378 0.227 9.217 1.00 0.00 H new ATOM 0 HA LYS A 94 6.170 2.934 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.493 0.217 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.481 1.664 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.124 2.580 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.975 1.264 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.617 -0.357 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.911 0.821 12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.528 1.154 14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.002 0.337 14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.195 2.578 15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.216 2.385 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.710 3.151 13.681 1.00 0.00 H new ATOM 1494 N ALA A 95 7.238 1.337 6.820 1.00 0.00 N ATOM 1495 CA ALA A 95 7.799 1.498 5.470 1.00 0.00 C ATOM 1496 C ALA A 95 6.984 2.485 4.633 1.00 0.00 C ATOM 1497 O ALA A 95 7.524 3.444 4.083 1.00 0.00 O ATOM 1498 CB ALA A 95 7.827 0.121 4.804 1.00 0.00 C ATOM 0 H ALA A 95 6.855 0.408 6.995 1.00 0.00 H new ATOM 0 HA ALA A 95 8.807 1.908 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.239 0.211 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.448 -0.555 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.813 -0.276 4.746 1.00 0.00 H new ATOM 1504 N ALA A 96 5.670 2.415 4.824 1.00 0.00 N ATOM 1505 CA ALA A 96 4.694 3.315 4.192 1.00 0.00 C ATOM 1506 C ALA A 96 4.835 4.753 4.696 1.00 0.00 C ATOM 1507 O ALA A 96 4.991 5.680 3.902 1.00 0.00 O ATOM 1508 CB ALA A 96 3.285 2.794 4.484 1.00 0.00 C ATOM 0 H ALA A 96 5.239 1.720 5.433 1.00 0.00 H new ATOM 0 HA ALA A 96 4.880 3.330 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.550 3.453 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.178 1.788 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.122 2.770 5.561 1.00 0.00 H new ATOM 1514 N VAL A 97 5.025 4.908 6.003 1.00 0.00 N ATOM 1515 CA VAL A 97 5.172 6.222 6.644 1.00 0.00 C ATOM 1516 C VAL A 97 6.499 6.885 6.274 1.00 0.00 C ATOM 1517 O VAL A 97 6.612 8.106 6.179 1.00 0.00 O ATOM 1518 CB VAL A 97 4.937 6.003 8.140 1.00 0.00 C ATOM 1519 CG1 VAL A 97 6.191 5.918 9.013 1.00 0.00 C ATOM 1520 CG2 VAL A 97 4.001 7.088 8.677 1.00 0.00 C ATOM 0 H VAL A 97 5.082 4.126 6.655 1.00 0.00 H new ATOM 0 HA VAL A 97 4.438 6.944 6.286 1.00 0.00 H new ATOM 0 HB VAL A 97 4.488 5.012 8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.901 5.762 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.810 5.085 8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.756 6.846 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.835 6.930 9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.453 8.068 8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.048 7.040 8.150 1.00 0.00 H new ATOM 1530 N ALA A 98 7.493 6.028 6.052 1.00 0.00 N ATOM 1531 CA ALA A 98 8.824 6.420 5.567 1.00 0.00 C ATOM 1532 C ALA A 98 8.704 6.981 4.149 1.00 0.00 C ATOM 1533 O ALA A 98 9.095 8.121 3.902 1.00 0.00 O ATOM 1534 CB ALA A 98 9.730 5.187 5.558 1.00 0.00 C ATOM 0 H ALA A 98 7.400 5.024 6.205 1.00 0.00 H new ATOM 0 HA ALA A 98 9.248 7.184 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.721 5.466 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.809 4.786 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.306 4.429 4.899 1.00 0.00 H new ATOM 1540 N ALA A 99 7.966 6.273 3.299 1.00 0.00 N ATOM 1541 CA ALA A 99 7.696 6.682 1.914 1.00 0.00 C ATOM 1542 C ALA A 99 6.852 7.954 1.812 1.00 0.00 C ATOM 1543 O ALA A 99 7.161 8.798 0.972 1.00 0.00 O ATOM 1544 CB ALA A 99 7.018 5.502 1.216 1.00 0.00 C ATOM 0 H ALA A 99 7.530 5.386 3.551 1.00 0.00 H new ATOM 0 HA ALA A 99 8.638 6.936 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.801 5.767 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.681 4.637 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.089 5.260 1.731 1.00 0.00 H new