USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= 0.843 K(o=0.84,f=-0.53) USER MOD Single : A 30 GLN : amide:sc= -0.0555 X(o=-0.056,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -159:sc= -5.62! USER MOD Single : A 34 SER OG : rot 180:sc= 0.178 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.774 K(o=0.77,f=-3.4!) USER MOD Single : A 41 THR OG1 : rot 41:sc= 0.158 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 1.04 (180deg=0.909) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0977 X(o=-0.098,f=-0.33) USER MOD Single : A 68 GLN : amide:sc= 0.287 K(o=0.29,f=-6.7!) USER MOD Single : A 71 MET CE :methyl -172:sc=-0.00675 (180deg=-0.155) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc=-0.00604 (180deg=-0.0572) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= 1.09 (180deg=-0.492) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -11.949 3.479 -2.250 1.00 0.00 N ATOM 20 CA ASP A 23 -12.197 2.062 -2.332 1.00 0.00 C ATOM 21 C ASP A 23 -10.834 1.396 -2.420 1.00 0.00 C ATOM 22 O ASP A 23 -10.064 1.661 -3.338 1.00 0.00 O ATOM 23 CB ASP A 23 -13.188 1.826 -3.476 1.00 0.00 C ATOM 24 CG ASP A 23 -14.546 2.501 -3.210 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.618 3.386 -2.315 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.498 2.136 -3.926 1.00 0.00 O ATOM 0 HA ASP A 23 -12.685 1.610 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.768 2.211 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.336 0.755 -3.613 1.00 0.00 H new ATOM 31 N ALA A 24 -10.487 0.645 -1.375 1.00 0.00 N ATOM 32 CA ALA A 24 -9.110 0.341 -1.019 1.00 0.00 C ATOM 33 C ALA A 24 -8.277 -0.163 -2.195 1.00 0.00 C ATOM 34 O ALA A 24 -7.210 0.381 -2.486 1.00 0.00 O ATOM 35 CB ALA A 24 -9.104 -0.672 0.115 1.00 0.00 C ATOM 0 H ALA A 24 -11.170 0.226 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.640 1.272 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.075 -0.906 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.623 -0.255 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.610 -1.582 -0.208 1.00 0.00 H new ATOM 41 N GLU A 25 -8.762 -1.198 -2.884 1.00 0.00 N ATOM 42 CA GLU A 25 -8.039 -1.705 -4.032 1.00 0.00 C ATOM 43 C GLU A 25 -7.957 -0.618 -5.104 1.00 0.00 C ATOM 44 O GLU A 25 -6.893 -0.420 -5.668 1.00 0.00 O ATOM 45 CB GLU A 25 -8.626 -3.026 -4.543 1.00 0.00 C ATOM 46 CG GLU A 25 -9.761 -2.844 -5.553 1.00 0.00 C ATOM 47 CD GLU A 25 -10.364 -4.187 -5.933 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.579 -5.037 -6.406 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.585 -4.340 -5.726 1.00 0.00 O ATOM 0 H GLU A 25 -9.631 -1.686 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.020 -1.950 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.831 -3.612 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.995 -3.602 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.532 -2.201 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.384 -2.344 -6.445 1.00 0.00 H new ATOM 56 N ALA A 26 -9.054 0.106 -5.363 1.00 0.00 N ATOM 57 CA ALA A 26 -9.120 1.146 -6.381 1.00 0.00 C ATOM 58 C ALA A 26 -8.070 2.225 -6.129 1.00 0.00 C ATOM 59 O ALA A 26 -7.440 2.688 -7.077 1.00 0.00 O ATOM 60 CB ALA A 26 -10.521 1.759 -6.465 1.00 0.00 C ATOM 0 H ALA A 26 -9.931 -0.022 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.904 0.679 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.535 2.531 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.243 0.983 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.783 2.200 -5.503 1.00 0.00 H new ATOM 66 N VAL A 27 -7.863 2.608 -4.861 1.00 0.00 N ATOM 67 CA VAL A 27 -6.723 3.439 -4.496 1.00 0.00 C ATOM 68 C VAL A 27 -5.469 2.787 -5.062 1.00 0.00 C ATOM 69 O VAL A 27 -4.819 3.368 -5.923 1.00 0.00 O ATOM 70 CB VAL A 27 -6.619 3.675 -2.974 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.365 4.494 -2.625 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.845 4.425 -2.443 1.00 0.00 C ATOM 0 H VAL A 27 -8.469 2.354 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.851 4.433 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.560 2.692 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.318 4.645 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.476 3.957 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.411 5.461 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.742 4.576 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.923 5.392 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.743 3.841 -2.643 1.00 0.00 H new ATOM 82 N VAL A 28 -5.106 1.586 -4.622 1.00 0.00 N ATOM 83 CA VAL A 28 -3.783 1.075 -4.941 1.00 0.00 C ATOM 84 C VAL A 28 -3.590 0.846 -6.441 1.00 0.00 C ATOM 85 O VAL A 28 -2.565 1.236 -7.010 1.00 0.00 O ATOM 86 CB VAL A 28 -3.484 -0.114 -4.023 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.116 -0.761 -4.260 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.568 0.414 -2.581 1.00 0.00 C ATOM 0 H VAL A 28 -5.691 0.967 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.018 1.822 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.210 -0.901 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.983 -1.594 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.059 -1.126 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.331 -0.023 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.362 -0.398 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.834 1.208 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.568 0.807 -2.395 1.00 0.00 H new ATOM 98 N GLN A 29 -4.641 0.322 -7.067 1.00 0.00 N ATOM 99 CA GLN A 29 -4.856 0.144 -8.493 1.00 0.00 C ATOM 100 C GLN A 29 -4.861 1.466 -9.282 1.00 0.00 C ATOM 101 O GLN A 29 -5.008 1.433 -10.500 1.00 0.00 O ATOM 102 CB GLN A 29 -6.140 -0.693 -8.678 1.00 0.00 C ATOM 103 CG GLN A 29 -5.948 -2.144 -8.204 1.00 0.00 C ATOM 104 CD GLN A 29 -4.871 -2.875 -9.006 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.749 -2.684 -10.211 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.055 -3.690 -8.344 1.00 0.00 N ATOM 0 H GLN A 29 -5.439 -0.021 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.012 -0.396 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.957 -0.234 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.429 -0.689 -9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.677 -2.147 -7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.892 -2.681 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.178 -3.831 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.306 -4.174 -8.839 1.00 0.00 H new ATOM 115 N GLN A 30 -4.661 2.618 -8.629 1.00 0.00 N ATOM 116 CA GLN A 30 -4.340 3.880 -9.296 1.00 0.00 C ATOM 117 C GLN A 30 -3.133 4.623 -8.694 1.00 0.00 C ATOM 118 O GLN A 30 -2.523 5.441 -9.379 1.00 0.00 O ATOM 119 CB GLN A 30 -5.581 4.784 -9.314 1.00 0.00 C ATOM 120 CG GLN A 30 -5.754 5.405 -10.706 1.00 0.00 C ATOM 121 CD GLN A 30 -6.827 6.489 -10.737 1.00 0.00 C ATOM 122 OE1 GLN A 30 -6.620 7.558 -11.299 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.981 6.235 -10.129 1.00 0.00 N ATOM 0 H GLN A 30 -4.719 2.698 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.043 3.626 -10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.467 4.206 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.480 5.570 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.804 5.830 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.013 4.622 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.128 5.337 -9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.720 6.938 -10.123 1.00 0.00 H new ATOM 132 N LYS A 31 -2.819 4.410 -7.412 1.00 0.00 N ATOM 133 CA LYS A 31 -1.919 5.247 -6.629 1.00 0.00 C ATOM 134 C LYS A 31 -0.556 4.576 -6.436 1.00 0.00 C ATOM 135 O LYS A 31 0.437 5.275 -6.232 1.00 0.00 O ATOM 136 CB LYS A 31 -2.583 5.552 -5.270 1.00 0.00 C ATOM 137 CG LYS A 31 -2.564 7.031 -4.878 1.00 0.00 C ATOM 138 CD LYS A 31 -3.584 7.845 -5.690 1.00 0.00 C ATOM 139 CE LYS A 31 -4.102 8.990 -4.810 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.081 9.848 -5.503 1.00 0.00 N ATOM 0 H LYS A 31 -3.198 3.627 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.739 6.178 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.617 5.209 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.078 4.976 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.783 7.129 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.565 7.437 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.120 8.241 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.409 7.209 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.562 8.573 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.260 9.600 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.396 10.603 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.638 10.270 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.900 9.276 -5.793 1.00 0.00 H new ATOM 154 N CYS A 32 -0.515 3.238 -6.435 1.00 0.00 N ATOM 155 CA CYS A 32 0.648 2.473 -5.994 1.00 0.00 C ATOM 156 C CYS A 32 1.191 1.583 -7.110 1.00 0.00 C ATOM 157 O CYS A 32 2.412 1.465 -7.268 1.00 0.00 O ATOM 158 CB CYS A 32 0.268 1.616 -4.790 1.00 0.00 C ATOM 159 SG CYS A 32 -0.911 2.410 -3.642 1.00 0.00 S ATOM 0 H CYS A 32 -1.294 2.656 -6.743 1.00 0.00 H new ATOM 0 HA CYS A 32 1.432 3.178 -5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.164 0.681 -5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.174 1.359 -4.241 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.836 1.837 -2.478 1.00 0.00 H new ATOM 164 N ILE A 33 0.288 0.966 -7.891 1.00 0.00 N ATOM 165 CA ILE A 33 0.669 0.135 -9.031 1.00 0.00 C ATOM 166 C ILE A 33 1.689 0.852 -9.921 1.00 0.00 C ATOM 167 O ILE A 33 2.558 0.213 -10.506 1.00 0.00 O ATOM 168 CB ILE A 33 -0.552 -0.316 -9.850 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.412 0.850 -10.370 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.397 -1.326 -9.065 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.314 0.409 -11.528 1.00 0.00 C ATOM 0 H ILE A 33 -0.719 1.033 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 33 1.138 -0.763 -8.628 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.155 -0.808 -10.738 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.025 1.242 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.764 1.662 -10.701 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.254 -1.629 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.792 -2.201 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.747 -0.867 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.907 1.257 -11.870 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.698 0.041 -12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.979 -0.386 -11.189 1.00 0.00 H new ATOM 183 N SER A 34 1.598 2.183 -9.974 1.00 0.00 N ATOM 184 CA SER A 34 2.528 3.107 -10.588 1.00 0.00 C ATOM 185 C SER A 34 3.993 2.689 -10.431 1.00 0.00 C ATOM 186 O SER A 34 4.755 2.824 -11.385 1.00 0.00 O ATOM 187 CB SER A 34 2.264 4.481 -9.961 1.00 0.00 C ATOM 188 OG SER A 34 0.875 4.604 -9.686 1.00 0.00 O ATOM 0 H SER A 34 0.807 2.671 -9.553 1.00 0.00 H new ATOM 0 HA SER A 34 2.365 3.124 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.841 4.593 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.585 5.272 -10.638 1.00 0.00 H new ATOM 0 HG SER A 34 0.698 5.480 -9.283 1.00 0.00 H new ATOM 194 N CYS A 35 4.385 2.208 -9.242 1.00 0.00 N ATOM 195 CA CYS A 35 5.735 1.703 -8.990 1.00 0.00 C ATOM 196 C CYS A 35 5.697 0.216 -8.635 1.00 0.00 C ATOM 197 O CYS A 35 6.523 -0.556 -9.114 1.00 0.00 O ATOM 198 CB CYS A 35 6.455 2.522 -7.907 1.00 0.00 C ATOM 199 SG CYS A 35 6.158 4.300 -8.140 1.00 0.00 S ATOM 0 H CYS A 35 3.771 2.160 -8.429 1.00 0.00 H new ATOM 0 HA CYS A 35 6.311 1.816 -9.909 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.106 2.216 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.525 2.320 -7.943 1.00 0.00 H new ATOM 0 HG CYS A 35 6.775 4.968 -7.211 1.00 0.00 H new ATOM 204 N HIS A 36 4.748 -0.208 -7.796 1.00 0.00 N ATOM 205 CA HIS A 36 4.697 -1.589 -7.329 1.00 0.00 C ATOM 206 C HIS A 36 4.279 -2.580 -8.427 1.00 0.00 C ATOM 207 O HIS A 36 4.552 -3.777 -8.306 1.00 0.00 O ATOM 208 CB HIS A 36 3.824 -1.664 -6.072 1.00 0.00 C ATOM 209 CG HIS A 36 4.489 -1.062 -4.857 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.374 -1.718 -4.029 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.326 0.214 -4.370 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.717 -0.858 -3.057 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.118 0.334 -3.220 1.00 0.00 N ATOM 0 H HIS A 36 4.006 0.388 -7.428 1.00 0.00 H new ATOM 0 HA HIS A 36 5.705 -1.905 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.883 -1.147 -6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.580 -2.706 -5.867 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.706 -2.677 -4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.701 0.984 -4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.390 -1.094 -2.246 1.00 0.00 H new ATOM 221 N GLY A 37 3.678 -2.101 -9.519 1.00 0.00 N ATOM 222 CA GLY A 37 3.223 -2.924 -10.630 1.00 0.00 C ATOM 223 C GLY A 37 1.766 -3.331 -10.424 1.00 0.00 C ATOM 224 O GLY A 37 1.309 -3.424 -9.289 1.00 0.00 O ATOM 0 H GLY A 37 3.492 -1.107 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.325 -2.374 -11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.848 -3.813 -10.713 1.00 0.00 H new ATOM 228 N GLY A 38 1.038 -3.573 -11.520 1.00 0.00 N ATOM 229 CA GLY A 38 -0.397 -3.860 -11.529 1.00 0.00 C ATOM 230 C GLY A 38 -0.827 -4.865 -10.457 1.00 0.00 C ATOM 231 O GLY A 38 -1.729 -4.590 -9.667 1.00 0.00 O ATOM 0 H GLY A 38 1.447 -3.574 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.946 -2.930 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.676 -4.246 -12.510 1.00 0.00 H new ATOM 235 N ASP A 39 -0.176 -6.032 -10.443 1.00 0.00 N ATOM 236 CA ASP A 39 -0.475 -7.117 -9.513 1.00 0.00 C ATOM 237 C ASP A 39 0.278 -6.960 -8.181 1.00 0.00 C ATOM 238 O ASP A 39 0.166 -7.806 -7.299 1.00 0.00 O ATOM 239 CB ASP A 39 -0.180 -8.456 -10.201 1.00 0.00 C ATOM 240 CG ASP A 39 -0.710 -9.653 -9.418 1.00 0.00 C ATOM 241 OD1 ASP A 39 -1.854 -9.562 -8.923 1.00 0.00 O ATOM 242 OD2 ASP A 39 0.025 -10.662 -9.371 1.00 0.00 O ATOM 0 H ASP A 39 0.584 -6.249 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.533 -7.084 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.624 -8.453 -11.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.897 -8.562 -10.333 1.00 0.00 H new ATOM 247 N LEU A 40 1.061 -5.883 -8.020 1.00 0.00 N ATOM 248 CA LEU A 40 1.695 -5.516 -6.751 1.00 0.00 C ATOM 249 C LEU A 40 2.745 -6.555 -6.342 1.00 0.00 C ATOM 250 O LEU A 40 3.121 -6.667 -5.169 1.00 0.00 O ATOM 251 CB LEU A 40 0.601 -5.253 -5.709 1.00 0.00 C ATOM 252 CG LEU A 40 -0.370 -4.157 -6.209 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.731 -4.362 -5.553 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.145 -2.736 -5.959 1.00 0.00 C ATOM 0 H LEU A 40 1.273 -5.236 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 40 2.260 -4.589 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.050 -6.173 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.054 -4.944 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.454 -4.257 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.422 -3.593 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.119 -5.345 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.627 -4.294 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.582 -2.015 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.290 -2.584 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.094 -2.596 -6.477 1.00 0.00 H new ATOM 266 N THR A 41 3.262 -7.244 -7.363 1.00 0.00 N ATOM 267 CA THR A 41 4.315 -8.234 -7.351 1.00 0.00 C ATOM 268 C THR A 41 5.695 -7.573 -7.416 1.00 0.00 C ATOM 269 O THR A 41 6.700 -8.269 -7.298 1.00 0.00 O ATOM 270 CB THR A 41 4.071 -9.133 -8.570 1.00 0.00 C ATOM 271 OG1 THR A 41 3.662 -8.321 -9.661 1.00 0.00 O ATOM 272 CG2 THR A 41 2.951 -10.134 -8.272 1.00 0.00 C ATOM 0 H THR A 41 2.910 -7.099 -8.309 1.00 0.00 H new ATOM 0 HA THR A 41 4.300 -8.813 -6.428 1.00 0.00 H new ATOM 0 HB THR A 41 4.989 -9.671 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.194 -7.498 -9.674 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.787 -10.767 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.234 -10.755 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.034 -9.594 -8.037 1.00 0.00 H new ATOM 280 N GLY A 42 5.758 -6.245 -7.563 1.00 0.00 N ATOM 281 CA GLY A 42 6.965 -5.482 -7.318 1.00 0.00 C ATOM 282 C GLY A 42 7.732 -5.186 -8.603 1.00 0.00 C ATOM 283 O GLY A 42 8.745 -5.822 -8.882 1.00 0.00 O ATOM 0 H GLY A 42 4.964 -5.676 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.706 -4.544 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.608 -6.033 -6.632 1.00 0.00 H new ATOM 287 N ALA A 43 7.256 -4.211 -9.385 1.00 0.00 N ATOM 288 CA ALA A 43 7.934 -3.776 -10.603 1.00 0.00 C ATOM 289 C ALA A 43 9.145 -2.886 -10.282 1.00 0.00 C ATOM 290 O ALA A 43 10.285 -3.338 -10.337 1.00 0.00 O ATOM 291 CB ALA A 43 6.931 -3.094 -11.542 1.00 0.00 C ATOM 0 H ALA A 43 6.392 -3.705 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 43 8.331 -4.649 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.443 -2.772 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.140 -3.797 -11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.497 -2.228 -11.043 1.00 0.00 H new ATOM 297 N SER A 44 8.903 -1.612 -9.964 1.00 0.00 N ATOM 298 CA SER A 44 9.913 -0.609 -9.627 1.00 0.00 C ATOM 299 C SER A 44 10.073 -0.443 -8.111 1.00 0.00 C ATOM 300 O SER A 44 10.819 0.421 -7.659 1.00 0.00 O ATOM 301 CB SER A 44 9.525 0.727 -10.267 1.00 0.00 C ATOM 302 OG SER A 44 9.253 0.549 -11.645 1.00 0.00 O ATOM 0 H SER A 44 7.955 -1.236 -9.933 1.00 0.00 H new ATOM 0 HA SER A 44 10.874 -0.947 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.648 1.137 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.332 1.448 -10.138 1.00 0.00 H new ATOM 0 HG SER A 44 9.004 1.409 -12.043 1.00 0.00 H new ATOM 308 N ALA A 45 9.329 -1.228 -7.334 1.00 0.00 N ATOM 309 CA ALA A 45 9.291 -1.243 -5.882 1.00 0.00 C ATOM 310 C ALA A 45 9.104 -2.714 -5.503 1.00 0.00 C ATOM 311 O ALA A 45 8.736 -3.492 -6.380 1.00 0.00 O ATOM 312 CB ALA A 45 8.105 -0.380 -5.449 1.00 0.00 C ATOM 0 H ALA A 45 8.694 -1.917 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 45 10.185 -0.846 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.043 -0.366 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.241 0.637 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.184 -0.794 -5.860 1.00 0.00 H new ATOM 318 N PRO A 46 9.367 -3.140 -4.259 1.00 0.00 N ATOM 319 CA PRO A 46 9.209 -4.534 -3.876 1.00 0.00 C ATOM 320 C PRO A 46 7.736 -4.952 -3.864 1.00 0.00 C ATOM 321 O PRO A 46 6.825 -4.117 -3.882 1.00 0.00 O ATOM 322 CB PRO A 46 9.857 -4.656 -2.494 1.00 0.00 C ATOM 323 CG PRO A 46 9.711 -3.246 -1.922 1.00 0.00 C ATOM 324 CD PRO A 46 9.888 -2.360 -3.155 1.00 0.00 C ATOM 0 HA PRO A 46 9.685 -5.204 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.352 -5.397 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.902 -4.958 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.738 -3.098 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.465 -3.038 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.346 -1.420 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.937 -2.107 -3.311 1.00 0.00 H new ATOM 332 N ALA A 47 7.515 -6.269 -3.838 1.00 0.00 N ATOM 333 CA ALA A 47 6.195 -6.873 -3.831 1.00 0.00 C ATOM 334 C ALA A 47 5.475 -6.546 -2.526 1.00 0.00 C ATOM 335 O ALA A 47 5.892 -7.013 -1.467 1.00 0.00 O ATOM 336 CB ALA A 47 6.326 -8.392 -3.990 1.00 0.00 C ATOM 0 H ALA A 47 8.271 -6.954 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 47 5.614 -6.472 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.335 -8.845 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.823 -8.618 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.914 -8.795 -3.165 1.00 0.00 H new ATOM 342 N ILE A 48 4.381 -5.783 -2.598 1.00 0.00 N ATOM 343 CA ILE A 48 3.521 -5.522 -1.445 1.00 0.00 C ATOM 344 C ILE A 48 2.244 -6.364 -1.485 1.00 0.00 C ATOM 345 O ILE A 48 1.479 -6.346 -0.525 1.00 0.00 O ATOM 346 CB ILE A 48 3.278 -4.018 -1.204 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.844 -3.210 -2.425 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.547 -3.349 -0.714 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.331 -3.206 -2.545 1.00 0.00 C ATOM 0 H ILE A 48 4.068 -5.330 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 48 4.064 -5.853 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 48 2.464 -4.013 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.211 -2.187 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.286 -3.635 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.359 -2.288 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.864 -3.811 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.332 -3.466 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.037 -2.626 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.972 -4.230 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.896 -2.759 -1.651 1.00 0.00 H new ATOM 361 N ASP A 49 2.062 -7.190 -2.522 1.00 0.00 N ATOM 362 CA ASP A 49 1.104 -8.293 -2.529 1.00 0.00 C ATOM 363 C ASP A 49 1.085 -9.050 -1.185 1.00 0.00 C ATOM 364 O ASP A 49 0.013 -9.364 -0.673 1.00 0.00 O ATOM 365 CB ASP A 49 1.405 -9.176 -3.760 1.00 0.00 C ATOM 366 CG ASP A 49 1.036 -10.645 -3.635 1.00 0.00 C ATOM 367 OD1 ASP A 49 -0.101 -10.964 -3.216 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.892 -11.500 -3.943 1.00 0.00 O ATOM 0 H ASP A 49 2.587 -7.106 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 49 0.085 -7.919 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.876 -8.761 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.470 -9.107 -3.979 1.00 0.00 H new ATOM 373 N LYS A 50 2.259 -9.316 -0.592 1.00 0.00 N ATOM 374 CA LYS A 50 2.418 -10.021 0.691 1.00 0.00 C ATOM 375 C LYS A 50 2.655 -9.074 1.869 1.00 0.00 C ATOM 376 O LYS A 50 2.926 -9.537 2.978 1.00 0.00 O ATOM 377 CB LYS A 50 3.485 -11.135 0.602 1.00 0.00 C ATOM 378 CG LYS A 50 2.848 -12.500 0.291 1.00 0.00 C ATOM 379 CD LYS A 50 2.135 -12.432 -1.057 1.00 0.00 C ATOM 380 CE LYS A 50 1.403 -13.701 -1.482 1.00 0.00 C ATOM 381 NZ LYS A 50 0.707 -13.440 -2.754 1.00 0.00 N ATOM 0 H LYS A 50 3.150 -9.039 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 50 1.465 -10.508 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.210 -10.885 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.032 -11.193 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.614 -13.275 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.141 -12.771 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.417 -11.613 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.869 -12.184 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.109 -14.523 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.689 -14.001 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.245 -14.312 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.010 -12.700 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.394 -13.123 -3.467 1.00 0.00 H new ATOM 395 N ALA A 51 2.592 -7.758 1.657 1.00 0.00 N ATOM 396 CA ALA A 51 2.789 -6.795 2.728 1.00 0.00 C ATOM 397 C ALA A 51 1.953 -7.142 3.958 1.00 0.00 C ATOM 398 O ALA A 51 2.486 -7.086 5.053 1.00 0.00 O ATOM 399 CB ALA A 51 2.508 -5.377 2.242 1.00 0.00 C ATOM 0 H ALA A 51 2.405 -7.339 0.746 1.00 0.00 H new ATOM 0 HA ALA A 51 3.835 -6.843 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.662 -4.674 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.184 -5.133 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.477 -5.309 1.895 1.00 0.00 H new ATOM 405 N GLY A 52 0.685 -7.545 3.804 1.00 0.00 N ATOM 406 CA GLY A 52 -0.126 -7.972 4.939 1.00 0.00 C ATOM 407 C GLY A 52 0.404 -9.208 5.675 1.00 0.00 C ATOM 408 O GLY A 52 0.081 -9.415 6.844 1.00 0.00 O ATOM 0 H GLY A 52 0.205 -7.582 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.198 -7.147 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.137 -8.180 4.588 1.00 0.00 H new ATOM 412 N ALA A 53 1.150 -10.080 4.987 1.00 0.00 N ATOM 413 CA ALA A 53 1.814 -11.211 5.622 1.00 0.00 C ATOM 414 C ALA A 53 3.037 -10.712 6.387 1.00 0.00 C ATOM 415 O ALA A 53 3.267 -11.097 7.530 1.00 0.00 O ATOM 416 CB ALA A 53 2.241 -12.249 4.575 1.00 0.00 C ATOM 0 H ALA A 53 1.306 -10.018 3.981 1.00 0.00 H new ATOM 0 HA ALA A 53 1.117 -11.688 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.735 -13.085 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.362 -12.611 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.930 -11.789 3.867 1.00 0.00 H new ATOM 422 N ASN A 54 3.839 -9.878 5.722 1.00 0.00 N ATOM 423 CA ASN A 54 5.151 -9.468 6.213 1.00 0.00 C ATOM 424 C ASN A 54 5.027 -8.459 7.354 1.00 0.00 C ATOM 425 O ASN A 54 5.819 -8.487 8.293 1.00 0.00 O ATOM 426 CB ASN A 54 5.967 -8.844 5.071 1.00 0.00 C ATOM 427 CG ASN A 54 6.201 -9.796 3.900 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.187 -11.014 4.051 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.415 -9.249 2.707 1.00 0.00 N ATOM 0 H ASN A 54 3.592 -9.467 4.822 1.00 0.00 H new ATOM 0 HA ASN A 54 5.658 -10.356 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.450 -7.955 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.931 -8.516 5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.572 -9.844 1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.422 -8.234 2.605 1.00 0.00 H new ATOM 436 N TYR A 55 4.067 -7.543 7.228 1.00 0.00 N ATOM 437 CA TYR A 55 3.855 -6.377 8.068 1.00 0.00 C ATOM 438 C TYR A 55 2.363 -6.306 8.414 1.00 0.00 C ATOM 439 O TYR A 55 1.538 -6.917 7.735 1.00 0.00 O ATOM 440 CB TYR A 55 4.276 -5.114 7.294 1.00 0.00 C ATOM 441 CG TYR A 55 5.583 -5.203 6.523 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.772 -5.561 7.184 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.616 -4.908 5.145 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.976 -5.663 6.465 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.829 -4.971 4.435 1.00 0.00 C ATOM 446 CZ TYR A 55 8.013 -5.340 5.098 1.00 0.00 C ATOM 447 OH TYR A 55 9.195 -5.419 4.424 1.00 0.00 O ATOM 0 H TYR A 55 3.372 -7.606 6.484 1.00 0.00 H new ATOM 0 HA TYR A 55 4.446 -6.445 8.981 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.481 -4.861 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.351 -4.288 8.001 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.760 -5.758 8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.706 -4.632 4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.875 -5.991 6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.851 -4.736 3.381 1.00 0.00 H new ATOM 0 HH TYR A 55 9.055 -5.165 3.488 1.00 0.00 H new ATOM 457 N SER A 56 1.998 -5.559 9.454 1.00 0.00 N ATOM 458 CA SER A 56 0.617 -5.392 9.896 1.00 0.00 C ATOM 459 C SER A 56 0.049 -4.067 9.381 1.00 0.00 C ATOM 460 O SER A 56 0.809 -3.150 9.073 1.00 0.00 O ATOM 461 CB SER A 56 0.578 -5.495 11.423 1.00 0.00 C ATOM 462 OG SER A 56 1.075 -6.769 11.788 1.00 0.00 O ATOM 0 H SER A 56 2.668 -5.043 10.024 1.00 0.00 H new ATOM 0 HA SER A 56 -0.015 -6.179 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.181 -4.707 11.874 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.441 -5.364 11.788 1.00 0.00 H new ATOM 0 HG SER A 56 1.061 -6.858 12.764 1.00 0.00 H new ATOM 468 N GLU A 57 -1.284 -3.973 9.271 1.00 0.00 N ATOM 469 CA GLU A 57 -1.978 -2.797 8.749 1.00 0.00 C ATOM 470 C GLU A 57 -1.377 -1.502 9.307 1.00 0.00 C ATOM 471 O GLU A 57 -0.972 -0.652 8.527 1.00 0.00 O ATOM 472 CB GLU A 57 -3.506 -2.907 8.925 1.00 0.00 C ATOM 473 CG GLU A 57 -3.974 -3.333 10.329 1.00 0.00 C ATOM 474 CD GLU A 57 -4.647 -2.189 11.079 1.00 0.00 C ATOM 475 OE1 GLU A 57 -4.068 -1.084 11.050 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.724 -2.446 11.656 1.00 0.00 O ATOM 0 H GLU A 57 -1.915 -4.725 9.547 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.818 -2.757 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.954 -1.942 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.889 -3.624 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.670 -4.168 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.119 -3.690 10.903 1.00 0.00 H new ATOM 483 N GLU A 58 -1.224 -1.394 10.626 1.00 0.00 N ATOM 484 CA GLU A 58 -0.518 -0.321 11.317 1.00 0.00 C ATOM 485 C GLU A 58 0.790 0.113 10.623 1.00 0.00 C ATOM 486 O GLU A 58 0.988 1.295 10.336 1.00 0.00 O ATOM 487 CB GLU A 58 -0.306 -0.740 12.784 1.00 0.00 C ATOM 488 CG GLU A 58 0.258 -2.162 12.965 1.00 0.00 C ATOM 489 CD GLU A 58 0.323 -2.577 14.429 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.679 -1.710 15.256 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.016 -3.760 14.687 1.00 0.00 O ATOM 0 H GLU A 58 -1.608 -2.086 11.270 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.137 0.576 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.373 -0.030 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.258 -0.670 13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.364 -2.869 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.257 -2.212 12.531 1.00 0.00 H new ATOM 498 N GLU A 59 1.686 -0.832 10.331 1.00 0.00 N ATOM 499 CA GLU A 59 2.970 -0.553 9.703 1.00 0.00 C ATOM 500 C GLU A 59 2.750 -0.014 8.289 1.00 0.00 C ATOM 501 O GLU A 59 3.343 0.983 7.878 1.00 0.00 O ATOM 502 CB GLU A 59 3.801 -1.844 9.651 1.00 0.00 C ATOM 503 CG GLU A 59 4.160 -2.377 11.040 1.00 0.00 C ATOM 504 CD GLU A 59 4.864 -3.719 10.924 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.124 -4.724 10.840 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.111 -3.716 10.873 1.00 0.00 O ATOM 0 H GLU A 59 1.535 -1.821 10.528 1.00 0.00 H new ATOM 0 HA GLU A 59 3.505 0.197 10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.244 -2.607 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.717 -1.658 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.804 -1.664 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.257 -2.483 11.641 1.00 0.00 H new ATOM 513 N ILE A 60 1.895 -0.699 7.530 1.00 0.00 N ATOM 514 CA ILE A 60 1.638 -0.367 6.135 1.00 0.00 C ATOM 515 C ILE A 60 1.051 1.050 6.078 1.00 0.00 C ATOM 516 O ILE A 60 1.518 1.890 5.314 1.00 0.00 O ATOM 517 CB ILE A 60 0.720 -1.426 5.492 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.288 -2.846 5.673 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.526 -1.167 3.992 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.360 -3.929 5.118 1.00 0.00 C ATOM 0 H ILE A 60 1.362 -1.500 7.868 1.00 0.00 H new ATOM 0 HA ILE A 60 2.561 -0.377 5.555 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.241 -1.350 6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.255 -2.912 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.462 -3.031 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.126 -1.933 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.074 -0.186 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.493 -1.198 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.811 -4.909 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.599 -3.885 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.206 -3.765 4.051 1.00 0.00 H new ATOM 532 N LEU A 61 0.050 1.315 6.915 1.00 0.00 N ATOM 533 CA LEU A 61 -0.594 2.602 7.121 1.00 0.00 C ATOM 534 C LEU A 61 0.455 3.678 7.331 1.00 0.00 C ATOM 535 O LEU A 61 0.485 4.671 6.601 1.00 0.00 O ATOM 536 CB LEU A 61 -1.508 2.506 8.351 1.00 0.00 C ATOM 537 CG LEU A 61 -2.334 3.768 8.640 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.300 4.067 7.495 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.128 3.569 9.935 1.00 0.00 C ATOM 0 H LEU A 61 -0.356 0.587 7.503 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.186 2.864 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.189 1.666 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.896 2.282 9.224 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.651 4.611 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.872 4.966 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.737 4.222 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.982 3.227 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.715 4.463 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.795 2.714 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.439 3.388 10.760 1.00 0.00 H new ATOM 551 N ASP A 62 1.318 3.467 8.330 1.00 0.00 N ATOM 552 CA ASP A 62 2.362 4.431 8.616 1.00 0.00 C ATOM 553 C ASP A 62 3.196 4.656 7.360 1.00 0.00 C ATOM 554 O ASP A 62 3.383 5.791 6.939 1.00 0.00 O ATOM 555 CB ASP A 62 3.228 3.987 9.793 1.00 0.00 C ATOM 556 CG ASP A 62 4.220 5.092 10.130 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.772 6.105 10.715 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.393 4.942 9.730 1.00 0.00 O ATOM 0 H ASP A 62 1.309 2.649 8.940 1.00 0.00 H new ATOM 0 HA ASP A 62 1.902 5.375 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.602 3.768 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.759 3.069 9.543 1.00 0.00 H new ATOM 563 N ILE A 63 3.623 3.579 6.702 1.00 0.00 N ATOM 564 CA ILE A 63 4.479 3.675 5.524 1.00 0.00 C ATOM 565 C ILE A 63 3.787 4.471 4.414 1.00 0.00 C ATOM 566 O ILE A 63 4.412 5.303 3.764 1.00 0.00 O ATOM 567 CB ILE A 63 4.904 2.261 5.082 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.105 1.808 5.930 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.239 2.197 3.585 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.317 0.292 5.893 1.00 0.00 C ATOM 0 H ILE A 63 3.387 2.623 6.969 1.00 0.00 H new ATOM 0 HA ILE A 63 5.387 4.227 5.767 1.00 0.00 H new ATOM 0 HB ILE A 63 4.064 1.585 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.006 2.305 5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.956 2.125 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.533 1.181 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.363 2.484 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.059 2.880 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.177 0.030 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.429 -0.209 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.496 -0.025 4.866 1.00 0.00 H new ATOM 582 N ILE A 64 2.497 4.245 4.184 1.00 0.00 N ATOM 583 CA ILE A 64 1.734 4.987 3.189 1.00 0.00 C ATOM 584 C ILE A 64 1.744 6.474 3.542 1.00 0.00 C ATOM 585 O ILE A 64 2.055 7.324 2.704 1.00 0.00 O ATOM 586 CB ILE A 64 0.311 4.416 3.122 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.368 2.989 2.564 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.602 5.283 2.248 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.850 2.189 3.021 1.00 0.00 C ATOM 0 H ILE A 64 1.952 3.542 4.683 1.00 0.00 H new ATOM 0 HA ILE A 64 2.184 4.883 2.202 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.106 4.408 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.404 3.019 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.281 2.497 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.601 4.849 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.654 6.290 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.201 5.328 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.794 1.178 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.868 2.143 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.759 2.673 2.663 1.00 0.00 H new ATOM 601 N LEU A 65 1.397 6.786 4.792 1.00 0.00 N ATOM 602 CA LEU A 65 1.324 8.155 5.274 1.00 0.00 C ATOM 603 C LEU A 65 2.699 8.842 5.255 1.00 0.00 C ATOM 604 O LEU A 65 2.771 10.039 4.983 1.00 0.00 O ATOM 605 CB LEU A 65 0.731 8.159 6.690 1.00 0.00 C ATOM 606 CG LEU A 65 -0.749 7.733 6.765 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.099 7.405 8.220 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.665 8.860 6.289 1.00 0.00 C ATOM 0 H LEU A 65 1.159 6.089 5.497 1.00 0.00 H new ATOM 0 HA LEU A 65 0.678 8.724 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.320 7.492 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.829 9.161 7.108 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.893 6.863 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.144 7.103 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.464 6.592 8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.938 8.287 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.704 8.535 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.521 9.737 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.425 9.112 5.256 1.00 0.00 H new ATOM 620 N ASN A 66 3.766 8.101 5.566 1.00 0.00 N ATOM 621 CA ASN A 66 5.112 8.613 5.823 1.00 0.00 C ATOM 622 C ASN A 66 5.988 8.522 4.578 1.00 0.00 C ATOM 623 O ASN A 66 6.540 9.528 4.138 1.00 0.00 O ATOM 624 CB ASN A 66 5.790 7.811 6.947 1.00 0.00 C ATOM 625 CG ASN A 66 5.312 8.194 8.345 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.031 8.847 9.096 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.106 7.773 8.699 1.00 0.00 N ATOM 0 H ASN A 66 3.712 7.086 5.649 1.00 0.00 H new ATOM 0 HA ASN A 66 5.005 9.657 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.604 6.749 6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.868 7.959 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.742 7.989 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.542 7.233 8.043 1.00 0.00 H new ATOM 634 N GLY A 67 6.155 7.308 4.051 1.00 0.00 N ATOM 635 CA GLY A 67 7.077 6.950 2.987 1.00 0.00 C ATOM 636 C GLY A 67 7.792 5.639 3.321 1.00 0.00 C ATOM 637 O GLY A 67 7.530 5.013 4.347 1.00 0.00 O ATOM 0 H GLY A 67 5.616 6.506 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.535 6.847 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.809 7.746 2.848 1.00 0.00 H new ATOM 641 N GLN A 68 8.715 5.248 2.442 1.00 0.00 N ATOM 642 CA GLN A 68 9.732 4.215 2.617 1.00 0.00 C ATOM 643 C GLN A 68 10.934 4.764 1.827 1.00 0.00 C ATOM 644 O GLN A 68 10.734 5.668 1.023 1.00 0.00 O ATOM 645 CB GLN A 68 9.237 2.847 2.078 1.00 0.00 C ATOM 646 CG GLN A 68 10.298 1.747 2.048 1.00 0.00 C ATOM 647 CD GLN A 68 11.001 1.411 3.352 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.589 2.279 3.989 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.018 0.132 3.709 1.00 0.00 N ATOM 0 H GLN A 68 8.774 5.679 1.519 1.00 0.00 H new ATOM 0 HA GLN A 68 9.982 4.021 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.403 2.511 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.852 2.988 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.828 0.837 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.058 2.033 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.516 -0.560 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.533 -0.159 4.540 1.00 0.00 H new ATOM 658 N GLY A 69 12.156 4.257 2.031 1.00 0.00 N ATOM 659 CA GLY A 69 13.395 4.724 1.395 1.00 0.00 C ATOM 660 C GLY A 69 13.220 5.461 0.054 1.00 0.00 C ATOM 661 O GLY A 69 13.297 6.687 0.018 1.00 0.00 O ATOM 0 H GLY A 69 12.316 3.478 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.910 5.388 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.046 3.864 1.234 1.00 0.00 H new ATOM 665 N GLY A 70 12.983 4.736 -1.048 1.00 0.00 N ATOM 666 CA GLY A 70 12.765 5.327 -2.368 1.00 0.00 C ATOM 667 C GLY A 70 11.284 5.519 -2.715 1.00 0.00 C ATOM 668 O GLY A 70 10.912 5.431 -3.884 1.00 0.00 O ATOM 0 H GLY A 70 12.938 3.717 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.269 6.293 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.227 4.691 -3.123 1.00 0.00 H new ATOM 672 N MET A 71 10.431 5.787 -1.720 1.00 0.00 N ATOM 673 CA MET A 71 8.994 5.993 -1.876 1.00 0.00 C ATOM 674 C MET A 71 8.608 7.354 -1.283 1.00 0.00 C ATOM 675 O MET A 71 8.879 7.582 -0.107 1.00 0.00 O ATOM 676 CB MET A 71 8.286 4.867 -1.127 1.00 0.00 C ATOM 677 CG MET A 71 6.759 4.934 -1.147 1.00 0.00 C ATOM 678 SD MET A 71 6.022 3.479 -0.365 1.00 0.00 S ATOM 679 CE MET A 71 4.486 4.177 0.292 1.00 0.00 C ATOM 0 H MET A 71 10.737 5.869 -0.751 1.00 0.00 H new ATOM 0 HA MET A 71 8.707 5.984 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.598 3.914 -1.555 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.621 4.875 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.426 5.834 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.410 5.011 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.991 3.438 0.922 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.713 5.064 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.828 4.449 -0.533 1.00 0.00 H new ATOM 689 N PRO A 72 7.957 8.251 -2.045 1.00 0.00 N ATOM 690 CA PRO A 72 7.745 9.634 -1.633 1.00 0.00 C ATOM 691 C PRO A 72 6.905 9.761 -0.363 1.00 0.00 C ATOM 692 O PRO A 72 7.184 10.614 0.476 1.00 0.00 O ATOM 693 CB PRO A 72 7.115 10.347 -2.836 1.00 0.00 C ATOM 694 CG PRO A 72 6.513 9.217 -3.668 1.00 0.00 C ATOM 695 CD PRO A 72 7.455 8.044 -3.392 1.00 0.00 C ATOM 0 HA PRO A 72 8.692 10.099 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.353 11.060 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.860 10.906 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.490 8.993 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.483 9.469 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.929 7.093 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.271 8.019 -4.114 1.00 0.00 H new ATOM 703 N GLY A 73 5.881 8.919 -0.221 1.00 0.00 N ATOM 704 CA GLY A 73 5.048 8.894 0.967 1.00 0.00 C ATOM 705 C GLY A 73 3.963 9.963 0.933 1.00 0.00 C ATOM 706 O GLY A 73 3.980 10.878 0.111 1.00 0.00 O ATOM 0 H GLY A 73 5.611 8.238 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.585 7.912 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.672 9.040 1.849 1.00 0.00 H new ATOM 710 N GLY A 74 2.961 9.792 1.795 1.00 0.00 N ATOM 711 CA GLY A 74 1.773 10.634 1.820 1.00 0.00 C ATOM 712 C GLY A 74 0.973 10.495 0.525 1.00 0.00 C ATOM 713 O GLY A 74 0.188 11.373 0.177 1.00 0.00 O ATOM 0 H GLY A 74 2.955 9.056 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.147 10.360 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.064 11.675 1.961 1.00 0.00 H new ATOM 717 N ILE A 75 1.166 9.373 -0.176 1.00 0.00 N ATOM 718 CA ILE A 75 0.586 9.089 -1.481 1.00 0.00 C ATOM 719 C ILE A 75 -0.925 8.886 -1.353 1.00 0.00 C ATOM 720 O ILE A 75 -1.671 9.152 -2.295 1.00 0.00 O ATOM 721 CB ILE A 75 1.294 7.849 -2.050 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.764 8.164 -2.381 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.607 7.315 -3.312 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.634 6.950 -2.065 1.00 0.00 C ATOM 0 H ILE A 75 1.753 8.613 0.168 1.00 0.00 H new ATOM 0 HA ILE A 75 0.730 9.925 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 75 1.241 7.082 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.861 8.429 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.100 9.025 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.144 6.439 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.421 7.039 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.608 8.087 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.674 7.176 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.547 6.705 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.304 6.100 -2.662 1.00 0.00 H new ATOM 736 N ALA A 76 -1.364 8.405 -0.187 1.00 0.00 N ATOM 737 CA ALA A 76 -2.757 8.325 0.203 1.00 0.00 C ATOM 738 C ALA A 76 -2.807 8.761 1.663 1.00 0.00 C ATOM 739 O ALA A 76 -1.833 8.510 2.376 1.00 0.00 O ATOM 740 CB ALA A 76 -3.248 6.886 0.035 1.00 0.00 C ATOM 0 H ALA A 76 -0.730 8.051 0.530 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.399 8.959 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.296 6.823 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.144 6.585 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.655 6.223 0.665 1.00 0.00 H new ATOM 746 N LYS A 77 -3.865 9.447 2.114 1.00 0.00 N ATOM 747 CA LYS A 77 -3.937 9.958 3.475 1.00 0.00 C ATOM 748 C LYS A 77 -5.334 9.823 4.101 1.00 0.00 C ATOM 749 O LYS A 77 -6.350 9.814 3.412 1.00 0.00 O ATOM 750 CB LYS A 77 -3.422 11.402 3.503 1.00 0.00 C ATOM 751 CG LYS A 77 -1.941 11.492 3.082 1.00 0.00 C ATOM 752 CD LYS A 77 -1.255 12.827 3.412 1.00 0.00 C ATOM 753 CE LYS A 77 -0.505 12.818 4.756 1.00 0.00 C ATOM 754 NZ LYS A 77 -1.404 12.654 5.914 1.00 0.00 N ATOM 0 H LYS A 77 -4.685 9.658 1.546 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.293 9.340 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.027 12.016 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.540 11.810 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.390 10.687 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.873 11.321 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.553 13.072 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.006 13.617 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.226 12.010 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.050 13.750 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.853 12.723 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.128 13.400 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.865 11.723 5.866 1.00 0.00 H new ATOM 768 N GLY A 78 -5.371 9.711 5.435 1.00 0.00 N ATOM 769 CA GLY A 78 -6.602 9.526 6.194 1.00 0.00 C ATOM 770 C GLY A 78 -7.320 8.254 5.750 1.00 0.00 C ATOM 771 O GLY A 78 -6.664 7.246 5.478 1.00 0.00 O ATOM 0 H GLY A 78 -4.535 9.747 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.374 9.469 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.255 10.387 6.053 1.00 0.00 H new ATOM 775 N ALA A 79 -8.648 8.337 5.600 1.00 0.00 N ATOM 776 CA ALA A 79 -9.519 7.241 5.186 1.00 0.00 C ATOM 777 C ALA A 79 -8.935 6.457 4.008 1.00 0.00 C ATOM 778 O ALA A 79 -9.038 5.235 3.954 1.00 0.00 O ATOM 779 CB ALA A 79 -10.898 7.798 4.826 1.00 0.00 C ATOM 0 H ALA A 79 -9.159 9.203 5.771 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.608 6.544 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.551 6.982 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.327 8.296 5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.800 8.513 4.010 1.00 0.00 H new ATOM 785 N GLU A 80 -8.313 7.172 3.070 1.00 0.00 N ATOM 786 CA GLU A 80 -7.613 6.611 1.927 1.00 0.00 C ATOM 787 C GLU A 80 -6.557 5.598 2.406 1.00 0.00 C ATOM 788 O GLU A 80 -6.584 4.426 2.030 1.00 0.00 O ATOM 789 CB GLU A 80 -6.995 7.800 1.174 1.00 0.00 C ATOM 790 CG GLU A 80 -6.724 7.632 -0.325 1.00 0.00 C ATOM 791 CD GLU A 80 -6.077 8.898 -0.889 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.564 9.690 -0.061 1.00 0.00 O ATOM 793 OE2 GLU A 80 -6.096 9.051 -2.132 1.00 0.00 O ATOM 0 H GLU A 80 -8.285 8.191 3.091 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.277 6.061 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.656 8.657 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.052 8.050 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.070 6.776 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.657 7.426 -0.850 1.00 0.00 H new ATOM 800 N ALA A 81 -5.627 6.040 3.261 1.00 0.00 N ATOM 801 CA ALA A 81 -4.552 5.207 3.764 1.00 0.00 C ATOM 802 C ALA A 81 -5.103 4.101 4.664 1.00 0.00 C ATOM 803 O ALA A 81 -4.640 2.967 4.584 1.00 0.00 O ATOM 804 CB ALA A 81 -3.533 6.080 4.498 1.00 0.00 C ATOM 0 H ALA A 81 -5.608 6.995 3.620 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.048 4.719 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.724 5.455 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.127 6.822 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.021 6.586 5.331 1.00 0.00 H new ATOM 810 N GLU A 82 -6.094 4.418 5.504 1.00 0.00 N ATOM 811 CA GLU A 82 -6.770 3.440 6.354 1.00 0.00 C ATOM 812 C GLU A 82 -7.306 2.288 5.497 1.00 0.00 C ATOM 813 O GLU A 82 -7.005 1.117 5.744 1.00 0.00 O ATOM 814 CB GLU A 82 -7.894 4.133 7.135 1.00 0.00 C ATOM 815 CG GLU A 82 -7.354 5.200 8.103 1.00 0.00 C ATOM 816 CD GLU A 82 -8.460 6.135 8.577 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.505 5.606 9.008 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.250 7.364 8.470 1.00 0.00 O ATOM 0 H GLU A 82 -6.450 5.368 5.612 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.065 3.020 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.588 4.598 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.458 3.388 7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.894 4.713 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.573 5.779 7.609 1.00 0.00 H new ATOM 825 N ALA A 83 -8.080 2.641 4.466 1.00 0.00 N ATOM 826 CA ALA A 83 -8.638 1.701 3.511 1.00 0.00 C ATOM 827 C ALA A 83 -7.525 0.828 2.931 1.00 0.00 C ATOM 828 O ALA A 83 -7.600 -0.399 3.026 1.00 0.00 O ATOM 829 CB ALA A 83 -9.412 2.460 2.425 1.00 0.00 C ATOM 0 H ALA A 83 -8.337 3.610 4.275 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.344 1.037 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.828 1.749 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.220 3.029 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.738 3.142 1.907 1.00 0.00 H new ATOM 835 N VAL A 84 -6.483 1.453 2.362 1.00 0.00 N ATOM 836 CA VAL A 84 -5.341 0.709 1.842 1.00 0.00 C ATOM 837 C VAL A 84 -4.802 -0.268 2.888 1.00 0.00 C ATOM 838 O VAL A 84 -4.618 -1.440 2.589 1.00 0.00 O ATOM 839 CB VAL A 84 -4.198 1.630 1.386 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.983 0.784 0.987 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.533 2.477 0.159 1.00 0.00 C ATOM 0 H VAL A 84 -6.414 2.465 2.254 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.706 0.160 0.974 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.010 2.289 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.174 1.439 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.653 0.195 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.257 0.116 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.676 3.099 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.773 1.824 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.390 3.114 0.379 1.00 0.00 H new ATOM 851 N ALA A 85 -4.473 0.218 4.084 1.00 0.00 N ATOM 852 CA ALA A 85 -3.797 -0.570 5.103 1.00 0.00 C ATOM 853 C ALA A 85 -4.603 -1.822 5.443 1.00 0.00 C ATOM 854 O ALA A 85 -4.079 -2.935 5.386 1.00 0.00 O ATOM 855 CB ALA A 85 -3.574 0.300 6.337 1.00 0.00 C ATOM 0 H ALA A 85 -4.671 1.177 4.371 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.830 -0.903 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.068 -0.283 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.960 1.160 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.535 0.645 6.717 1.00 0.00 H new ATOM 861 N ALA A 86 -5.887 -1.633 5.765 1.00 0.00 N ATOM 862 CA ALA A 86 -6.793 -2.737 6.046 1.00 0.00 C ATOM 863 C ALA A 86 -6.765 -3.741 4.891 1.00 0.00 C ATOM 864 O ALA A 86 -6.504 -4.930 5.077 1.00 0.00 O ATOM 865 CB ALA A 86 -8.206 -2.191 6.269 1.00 0.00 C ATOM 0 H ALA A 86 -6.320 -0.712 5.836 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.475 -3.255 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.886 -3.016 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.200 -1.501 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.539 -1.666 5.373 1.00 0.00 H new ATOM 871 N TRP A 87 -7.010 -3.243 3.681 1.00 0.00 N ATOM 872 CA TRP A 87 -7.039 -4.049 2.474 1.00 0.00 C ATOM 873 C TRP A 87 -5.716 -4.799 2.246 1.00 0.00 C ATOM 874 O TRP A 87 -5.723 -5.970 1.873 1.00 0.00 O ATOM 875 CB TRP A 87 -7.418 -3.113 1.331 1.00 0.00 C ATOM 876 CG TRP A 87 -7.210 -3.616 -0.055 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.017 -4.425 -0.775 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.058 -3.349 -0.890 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.351 -4.818 -1.921 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.126 -4.192 -2.032 1.00 0.00 C ATOM 881 CE3 TRP A 87 -4.933 -2.513 -0.760 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.074 -4.249 -2.953 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -3.917 -2.526 -1.722 1.00 0.00 C ATOM 884 CH2 TRP A 87 -3.996 -3.386 -2.819 1.00 0.00 C ATOM 0 H TRP A 87 -7.196 -2.254 3.515 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.778 -4.846 2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.471 -2.853 1.442 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -6.848 -2.191 1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.020 -4.717 -0.500 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.718 -5.486 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.853 -1.854 0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.101 -4.961 -3.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.068 -1.868 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.216 -3.379 -3.566 1.00 0.00 H new ATOM 895 N LEU A 88 -4.564 -4.170 2.490 1.00 0.00 N ATOM 896 CA LEU A 88 -3.293 -4.882 2.380 1.00 0.00 C ATOM 897 C LEU A 88 -3.115 -5.947 3.456 1.00 0.00 C ATOM 898 O LEU A 88 -2.655 -7.045 3.153 1.00 0.00 O ATOM 899 CB LEU A 88 -2.050 -4.003 2.168 1.00 0.00 C ATOM 900 CG LEU A 88 -1.836 -3.560 0.703 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.392 -3.261 0.370 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.229 -4.597 -0.364 1.00 0.00 C ATOM 0 H LEU A 88 -4.486 -3.189 2.760 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.375 -5.413 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.133 -3.116 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.169 -4.550 2.504 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.482 -2.683 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.315 -2.956 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.030 -2.457 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.211 -4.154 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.040 -4.188 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.638 -5.502 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.288 -4.836 -0.266 1.00 0.00 H new ATOM 914 N ALA A 89 -3.527 -5.671 4.692 1.00 0.00 N ATOM 915 CA ALA A 89 -3.560 -6.696 5.733 1.00 0.00 C ATOM 916 C ALA A 89 -4.472 -7.859 5.333 1.00 0.00 C ATOM 917 O ALA A 89 -4.185 -9.010 5.655 1.00 0.00 O ATOM 918 CB ALA A 89 -3.959 -6.097 7.077 1.00 0.00 C ATOM 0 H ALA A 89 -3.842 -4.750 4.996 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.554 -7.100 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.976 -6.881 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.237 -5.332 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.950 -5.649 6.996 1.00 0.00 H new ATOM 924 N GLU A 90 -5.550 -7.558 4.612 1.00 0.00 N ATOM 925 CA GLU A 90 -6.500 -8.538 4.109 1.00 0.00 C ATOM 926 C GLU A 90 -5.905 -9.340 2.936 1.00 0.00 C ATOM 927 O GLU A 90 -6.258 -10.498 2.733 1.00 0.00 O ATOM 928 CB GLU A 90 -7.760 -7.765 3.697 1.00 0.00 C ATOM 929 CG GLU A 90 -8.956 -8.659 3.353 1.00 0.00 C ATOM 930 CD GLU A 90 -10.039 -7.862 2.633 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.728 -7.347 1.537 1.00 0.00 O ATOM 932 OE2 GLU A 90 -11.151 -7.776 3.194 1.00 0.00 O ATOM 0 H GLU A 90 -5.790 -6.600 4.357 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.744 -9.274 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.043 -7.093 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.525 -7.142 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.628 -9.486 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.364 -9.095 4.265 1.00 0.00 H new ATOM 939 N LYS A 91 -4.986 -8.743 2.169 1.00 0.00 N ATOM 940 CA LYS A 91 -4.494 -9.275 0.894 1.00 0.00 C ATOM 941 C LYS A 91 -3.717 -10.592 1.034 1.00 0.00 C ATOM 942 O LYS A 91 -3.539 -11.307 0.051 1.00 0.00 O ATOM 943 CB LYS A 91 -3.612 -8.203 0.218 1.00 0.00 C ATOM 944 CG LYS A 91 -4.106 -7.715 -1.156 1.00 0.00 C ATOM 945 CD LYS A 91 -3.216 -8.180 -2.317 1.00 0.00 C ATOM 946 CE LYS A 91 -3.078 -9.706 -2.317 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.526 -10.235 -3.575 1.00 0.00 N ATOM 0 H LYS A 91 -4.554 -7.855 2.424 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.364 -9.509 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.538 -7.344 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.605 -8.605 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.122 -8.075 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.150 -6.626 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.642 -7.849 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.231 -7.721 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.435 -10.007 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.056 -10.153 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.888 -11.196 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.811 -9.621 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.488 -10.262 -3.514 1.00 0.00 H new ATOM 961 N LYS A 92 -3.214 -10.876 2.230 1.00 0.00 N ATOM 962 CA LYS A 92 -2.021 -11.678 2.438 1.00 0.00 C ATOM 963 C LYS A 92 -2.211 -13.162 2.109 1.00 0.00 C ATOM 964 O LYS A 92 -3.228 -13.737 2.556 1.00 0.00 O ATOM 965 CB LYS A 92 -1.624 -11.488 3.899 1.00 0.00 C ATOM 966 CG LYS A 92 -2.703 -11.930 4.902 1.00 0.00 C ATOM 967 CD LYS A 92 -2.336 -11.439 6.304 1.00 0.00 C ATOM 968 CE LYS A 92 -3.478 -11.704 7.291 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.173 -11.120 8.611 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.303 -13.705 1.437 1.00 0.00 O ATOM 0 H LYS A 92 -3.636 -10.547 3.098 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.240 -11.345 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.710 -12.050 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.394 -10.436 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.673 -11.529 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.793 -13.016 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.431 -11.942 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.116 -10.372 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.405 -11.279 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.637 -12.778 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.959 -11.311 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.300 -11.545 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.044 -10.093 8.515 1.00 0.00 H new