USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 49 THR OG1 : rot 95:sc= 1.25 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1 K(o=2.2,f=-4.4!) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.376 X(o=1.2,f=0.93) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.789 USER MOD Set 3.1: A 10 THR OG1 : rot -73:sc= 1.27 USER MOD Set 3.2: A 14 TYR OH : rot 142:sc= 1.23 USER MOD Single : A 1 LYS N :NH3+ -153:sc= 0.833 (180deg=0.421) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.68 K(o=0.68,f=-3.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 3:sc= 1.23 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.121 USER MOD Single : A 38 HIS : no HD1:sc= 0.494 K(o=0.49,f=-2.4!) USER MOD Single : A 40 TYR OH : rot 117:sc= 0.00444 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0495 K(o=-0.05,f=-2.8) USER MOD Single : A 62 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0364) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.299 31.511 30.907 1.00 0.00 N ATOM 2 CA LYS A 1 13.537 31.859 31.642 1.00 0.00 C ATOM 3 C LYS A 1 14.523 32.563 30.715 1.00 0.00 C ATOM 4 O LYS A 1 14.699 32.154 29.571 1.00 0.00 O ATOM 5 CB LYS A 1 14.151 30.630 32.348 1.00 0.00 C ATOM 6 CG LYS A 1 15.286 31.004 33.319 1.00 0.00 C ATOM 7 CD LYS A 1 15.656 29.848 34.266 1.00 0.00 C ATOM 8 CE LYS A 1 16.695 30.303 35.299 1.00 0.00 C ATOM 9 NZ LYS A 1 17.011 29.231 36.272 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.501 31.469 31.572 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.110 32.234 30.184 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.416 30.585 30.448 1.00 0.00 H new ATOM 0 HA LYS A 1 13.281 32.559 32.437 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.369 30.103 32.896 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.535 29.939 31.597 1.00 0.00 H new ATOM 0 HG2 LYS A 1 16.167 31.298 32.748 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.985 31.870 33.908 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.762 29.489 34.776 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.051 29.012 33.690 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.607 30.609 34.786 1.00 0.00 H new ATOM 0 HE3 LYS A 1 16.320 31.177 35.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.493 29.642 37.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.131 28.771 36.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.631 28.527 35.823 1.00 0.00 H new ATOM 25 N GLU A 2 15.193 33.603 31.200 1.00 0.00 N ATOM 26 CA GLU A 2 16.317 34.273 30.529 1.00 0.00 C ATOM 27 C GLU A 2 17.638 33.973 31.260 1.00 0.00 C ATOM 28 O GLU A 2 17.614 33.600 32.438 1.00 0.00 O ATOM 29 CB GLU A 2 16.096 35.794 30.465 1.00 0.00 C ATOM 30 CG GLU A 2 14.747 36.257 29.888 1.00 0.00 C ATOM 31 CD GLU A 2 13.595 36.297 30.909 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.455 35.915 30.558 1.00 0.00 O ATOM 33 OE2 GLU A 2 13.795 36.707 32.082 1.00 0.00 O1- ATOM 0 H GLU A 2 14.966 34.022 32.102 1.00 0.00 H new ATOM 0 HA GLU A 2 16.374 33.886 29.512 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.195 36.198 31.472 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.894 36.232 29.866 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.871 37.252 29.461 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.468 35.592 29.071 1.00 0.00 H new ATOM 40 N GLY A 3 18.789 34.148 30.606 1.00 0.00 N ATOM 41 CA GLY A 3 20.085 33.955 31.262 1.00 0.00 C ATOM 42 C GLY A 3 21.323 34.212 30.400 1.00 0.00 C ATOM 43 O GLY A 3 21.263 34.263 29.170 1.00 0.00 O ATOM 0 H GLY A 3 18.850 34.422 29.625 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.130 34.611 32.131 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.132 32.931 31.633 1.00 0.00 H new ATOM 47 N TYR A 4 22.470 34.332 31.067 1.00 0.00 N ATOM 48 CA TYR A 4 23.787 34.453 30.439 1.00 0.00 C ATOM 49 C TYR A 4 24.154 33.192 29.629 1.00 0.00 C ATOM 50 O TYR A 4 23.752 32.077 29.973 1.00 0.00 O ATOM 51 CB TYR A 4 24.782 34.761 31.567 1.00 0.00 C ATOM 52 CG TYR A 4 26.263 34.740 31.241 1.00 0.00 C ATOM 53 CD1 TYR A 4 27.032 33.611 31.577 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.884 35.886 30.715 1.00 0.00 C ATOM 55 CE1 TYR A 4 28.429 33.639 31.422 1.00 0.00 C ATOM 56 CE2 TYR A 4 28.280 35.907 30.547 1.00 0.00 C ATOM 57 CZ TYR A 4 29.054 34.783 30.893 1.00 0.00 C ATOM 58 OH TYR A 4 30.405 34.817 30.768 1.00 0.00 O ATOM 0 H TYR A 4 22.511 34.348 32.086 1.00 0.00 H new ATOM 0 HA TYR A 4 23.803 35.258 29.704 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.542 35.748 31.963 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.607 34.045 32.370 1.00 0.00 H new ATOM 0 HD1 TYR A 4 26.549 32.722 31.954 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.292 36.747 30.441 1.00 0.00 H new ATOM 0 HE1 TYR A 4 29.022 32.783 31.709 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.761 36.789 30.151 1.00 0.00 H new ATOM 0 HH TYR A 4 30.677 35.677 30.385 1.00 0.00 H new ATOM 68 N LEU A 5 24.943 33.347 28.560 1.00 0.00 N ATOM 69 CA LEU A 5 25.509 32.230 27.789 1.00 0.00 C ATOM 70 C LEU A 5 26.749 31.680 28.519 1.00 0.00 C ATOM 71 O LEU A 5 27.847 32.211 28.353 1.00 0.00 O ATOM 72 CB LEU A 5 25.813 32.721 26.357 1.00 0.00 C ATOM 73 CG LEU A 5 26.438 31.656 25.431 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.459 30.534 25.084 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.879 32.298 24.117 1.00 0.00 C ATOM 0 H LEU A 5 25.211 34.263 28.200 1.00 0.00 H new ATOM 0 HA LEU A 5 24.802 31.404 27.708 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.887 33.078 25.905 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.489 33.574 26.415 1.00 0.00 H new ATOM 0 HG LEU A 5 27.283 31.235 25.975 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.949 29.812 24.431 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.138 30.036 25.999 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.591 30.953 24.575 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.319 31.538 23.471 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.016 32.741 23.621 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.618 33.073 24.321 1.00 0.00 H new ATOM 87 N VAL A 6 26.574 30.666 29.373 1.00 0.00 N ATOM 88 CA VAL A 6 27.626 30.204 30.294 1.00 0.00 C ATOM 89 C VAL A 6 28.687 29.323 29.635 1.00 0.00 C ATOM 90 O VAL A 6 28.377 28.376 28.909 1.00 0.00 O ATOM 91 CB VAL A 6 27.017 29.544 31.546 1.00 0.00 C ATOM 92 CG1 VAL A 6 26.548 28.099 31.348 1.00 0.00 C ATOM 93 CG2 VAL A 6 28.013 29.555 32.704 1.00 0.00 C ATOM 0 H VAL A 6 25.702 30.141 29.448 1.00 0.00 H new ATOM 0 HA VAL A 6 28.164 31.098 30.610 1.00 0.00 H new ATOM 0 HB VAL A 6 26.136 30.147 31.764 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.135 27.719 32.282 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.782 28.068 30.573 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.393 27.480 31.047 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.561 29.084 33.577 1.00 0.00 H new ATOM 0 HG22 VAL A 6 28.909 29.005 32.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 28.280 30.584 32.944 1.00 0.00 H new ATOM 103 N ASP A 7 29.957 29.579 29.954 1.00 0.00 N ATOM 104 CA ASP A 7 31.098 28.803 29.467 1.00 0.00 C ATOM 105 C ASP A 7 32.133 28.507 30.566 1.00 0.00 C ATOM 106 O ASP A 7 32.356 29.288 31.497 1.00 0.00 O ATOM 107 CB ASP A 7 31.712 29.524 28.263 1.00 0.00 C ATOM 108 CG ASP A 7 32.808 28.746 27.530 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.636 29.411 26.869 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.847 27.495 27.593 1.00 0.00 O1- ATOM 0 H ASP A 7 30.226 30.346 30.570 1.00 0.00 H new ATOM 0 HA ASP A 7 30.742 27.823 29.150 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.917 29.757 27.554 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.126 30.474 28.601 1.00 0.00 H new ATOM 115 N TYR A 8 32.763 27.344 30.430 1.00 0.00 N ATOM 116 CA TYR A 8 33.895 26.862 31.219 1.00 0.00 C ATOM 117 C TYR A 8 35.255 27.293 30.629 1.00 0.00 C ATOM 118 O TYR A 8 36.219 27.473 31.377 1.00 0.00 O ATOM 119 CB TYR A 8 33.792 25.328 31.275 1.00 0.00 C ATOM 120 CG TYR A 8 33.749 24.655 29.913 1.00 0.00 C ATOM 121 CD1 TYR A 8 32.515 24.403 29.279 1.00 0.00 C ATOM 122 CD2 TYR A 8 34.950 24.323 29.260 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.490 23.865 27.978 1.00 0.00 C ATOM 124 CE2 TYR A 8 34.926 23.780 27.964 1.00 0.00 C ATOM 125 CZ TYR A 8 33.694 23.563 27.311 1.00 0.00 C ATOM 126 OH TYR A 8 33.668 23.061 26.049 1.00 0.00 O ATOM 0 H TYR A 8 32.479 26.669 29.720 1.00 0.00 H new ATOM 0 HA TYR A 8 33.851 27.299 32.216 1.00 0.00 H new ATOM 0 HB2 TYR A 8 34.643 24.938 31.833 1.00 0.00 H new ATOM 0 HB3 TYR A 8 32.895 25.056 31.831 1.00 0.00 H new ATOM 0 HD1 TYR A 8 31.590 24.622 29.791 1.00 0.00 H new ATOM 0 HD2 TYR A 8 35.895 24.486 29.757 1.00 0.00 H new ATOM 0 HE1 TYR A 8 31.544 23.683 27.489 1.00 0.00 H new ATOM 0 HE2 TYR A 8 35.851 23.529 27.467 1.00 0.00 H new ATOM 0 HH TYR A 8 34.585 22.911 25.738 1.00 0.00 H new ATOM 136 N HIS A 9 35.350 27.453 29.300 1.00 0.00 N ATOM 137 CA HIS A 9 36.601 27.782 28.597 1.00 0.00 C ATOM 138 C HIS A 9 36.915 29.283 28.624 1.00 0.00 C ATOM 139 O HIS A 9 38.076 29.670 28.789 1.00 0.00 O ATOM 140 CB HIS A 9 36.518 27.254 27.156 1.00 0.00 C ATOM 141 CG HIS A 9 37.789 27.451 26.366 1.00 0.00 C ATOM 142 ND1 HIS A 9 39.003 26.797 26.610 1.00 0.00 N ATOM 143 CD2 HIS A 9 37.937 28.265 25.282 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.858 27.254 25.674 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.242 28.129 24.864 1.00 0.00 N ATOM 0 H HIS A 9 34.550 27.356 28.675 1.00 0.00 H new ATOM 0 HA HIS A 9 37.426 27.296 29.119 1.00 0.00 H new ATOM 0 HB2 HIS A 9 36.276 26.191 27.181 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.699 27.755 26.641 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.179 28.893 24.838 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.893 26.958 25.588 1.00 0.00 H new ATOM 0 HE2 HIS A 9 39.668 28.612 24.073 1.00 0.00 H new ATOM 153 N THR A 10 35.879 30.122 28.515 1.00 0.00 N ATOM 154 CA THR A 10 35.930 31.587 28.643 1.00 0.00 C ATOM 155 C THR A 10 35.195 32.068 29.896 1.00 0.00 C ATOM 156 O THR A 10 34.076 31.642 30.186 1.00 0.00 O ATOM 157 CB THR A 10 35.403 32.302 27.382 1.00 0.00 C ATOM 158 OG1 THR A 10 34.039 32.030 27.137 1.00 0.00 O ATOM 159 CG2 THR A 10 36.179 31.914 26.124 1.00 0.00 C ATOM 0 H THR A 10 34.935 29.784 28.326 1.00 0.00 H new ATOM 0 HA THR A 10 36.981 31.854 28.748 1.00 0.00 H new ATOM 0 HB THR A 10 35.539 33.363 27.591 1.00 0.00 H new ATOM 0 HG1 THR A 10 33.943 31.112 26.806 1.00 0.00 H new ATOM 0 HG21 THR A 10 35.768 32.445 25.265 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.229 32.181 26.247 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.094 30.840 25.961 1.00 0.00 H new ATOM 167 N GLY A 11 35.826 32.969 30.655 1.00 0.00 N ATOM 168 CA GLY A 11 35.219 33.646 31.809 1.00 0.00 C ATOM 169 C GLY A 11 34.549 34.973 31.443 1.00 0.00 C ATOM 170 O GLY A 11 33.578 35.369 32.087 1.00 0.00 O ATOM 0 H GLY A 11 36.790 33.255 30.483 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.480 32.986 32.263 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.987 33.829 32.561 1.00 0.00 H new ATOM 174 N CYS A 12 35.033 35.640 30.390 1.00 0.00 N ATOM 175 CA CYS A 12 34.390 36.815 29.800 1.00 0.00 C ATOM 176 C CYS A 12 33.256 36.433 28.836 1.00 0.00 C ATOM 177 O CYS A 12 33.327 35.414 28.139 1.00 0.00 O ATOM 178 CB CYS A 12 35.429 37.683 29.080 1.00 0.00 C ATOM 179 SG CYS A 12 36.843 38.208 30.085 1.00 0.00 S ATOM 0 H CYS A 12 35.897 35.373 29.917 1.00 0.00 H new ATOM 0 HA CYS A 12 33.945 37.385 30.615 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.804 37.130 28.219 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.929 38.572 28.695 1.00 0.00 H new ATOM 184 N LYS A 13 32.230 37.284 28.752 1.00 0.00 N ATOM 185 CA LYS A 13 31.081 37.158 27.853 1.00 0.00 C ATOM 186 C LYS A 13 31.465 36.983 26.375 1.00 0.00 C ATOM 187 O LYS A 13 32.350 37.690 25.885 1.00 0.00 O ATOM 188 CB LYS A 13 30.207 38.398 28.084 1.00 0.00 C ATOM 189 CG LYS A 13 30.917 39.733 27.769 1.00 0.00 C ATOM 190 CD LYS A 13 30.269 40.909 28.502 1.00 0.00 C ATOM 191 CE LYS A 13 30.596 40.869 29.997 1.00 0.00 C ATOM 192 NZ LYS A 13 29.975 41.977 30.754 1.00 0.00 N1+ ATOM 0 H LYS A 13 32.176 38.118 29.336 1.00 0.00 H new ATOM 0 HA LYS A 13 30.536 36.243 28.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.312 38.319 27.467 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.878 38.410 29.123 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.967 39.662 28.053 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.889 39.915 26.695 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.621 41.848 28.074 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.189 40.879 28.361 1.00 0.00 H new ATOM 0 HE2 LYS A 13 30.259 39.919 30.412 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.677 40.908 30.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.231 41.898 31.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.315 42.886 30.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.941 41.928 30.656 1.00 0.00 H new ATOM 206 N TYR A 14 30.797 36.071 25.656 1.00 0.00 N ATOM 207 CA TYR A 14 30.952 35.920 24.202 1.00 0.00 C ATOM 208 C TYR A 14 30.361 37.123 23.448 1.00 0.00 C ATOM 209 O TYR A 14 29.212 37.522 23.653 1.00 0.00 O ATOM 210 CB TYR A 14 30.347 34.603 23.688 1.00 0.00 C ATOM 211 CG TYR A 14 31.232 33.380 23.873 1.00 0.00 C ATOM 212 CD1 TYR A 14 32.394 33.232 23.090 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.877 32.363 24.778 1.00 0.00 C ATOM 214 CE1 TYR A 14 33.208 32.090 23.222 1.00 0.00 C ATOM 215 CE2 TYR A 14 31.684 31.215 24.900 1.00 0.00 C ATOM 216 CZ TYR A 14 32.863 31.077 24.137 1.00 0.00 C ATOM 217 OH TYR A 14 33.674 29.995 24.307 1.00 0.00 O ATOM 0 H TYR A 14 30.132 35.415 26.067 1.00 0.00 H new ATOM 0 HA TYR A 14 32.023 35.885 24.002 1.00 0.00 H new ATOM 0 HB2 TYR A 14 29.400 34.430 24.200 1.00 0.00 H new ATOM 0 HB3 TYR A 14 30.120 34.713 22.628 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.663 34.002 22.382 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.985 32.463 25.379 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.099 31.991 22.620 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.397 30.431 25.585 1.00 0.00 H new ATOM 0 HH TYR A 14 33.689 29.743 25.254 1.00 0.00 H new ATOM 227 N THR A 15 31.181 37.700 22.567 1.00 0.00 N ATOM 228 CA THR A 15 30.942 38.975 21.868 1.00 0.00 C ATOM 229 C THR A 15 29.967 38.849 20.698 1.00 0.00 C ATOM 230 O THR A 15 29.858 37.783 20.086 1.00 0.00 O ATOM 231 CB THR A 15 32.273 39.570 21.378 1.00 0.00 C ATOM 232 OG1 THR A 15 32.915 38.685 20.484 1.00 0.00 O ATOM 233 CG2 THR A 15 33.253 39.812 22.524 1.00 0.00 C ATOM 0 H THR A 15 32.071 37.276 22.306 1.00 0.00 H new ATOM 0 HA THR A 15 30.478 39.643 22.594 1.00 0.00 H new ATOM 0 HB THR A 15 32.018 40.514 20.897 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.759 39.081 20.181 1.00 0.00 H new ATOM 0 HG21 THR A 15 34.178 40.232 22.129 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.813 40.509 23.238 1.00 0.00 H new ATOM 0 HG23 THR A 15 33.468 38.868 23.024 1.00 0.00 H new ATOM 241 N CYS A 16 29.272 39.942 20.370 1.00 0.00 N ATOM 242 CA CYS A 16 28.453 40.092 19.159 1.00 0.00 C ATOM 243 C CYS A 16 28.693 41.478 18.532 1.00 0.00 C ATOM 244 O CYS A 16 29.012 42.442 19.235 1.00 0.00 O ATOM 245 CB CYS A 16 26.979 39.777 19.463 1.00 0.00 C ATOM 246 SG CYS A 16 26.212 40.773 20.761 1.00 0.00 S ATOM 0 H CYS A 16 29.262 40.775 20.958 1.00 0.00 H new ATOM 0 HA CYS A 16 28.754 39.365 18.405 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.404 39.904 18.546 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.902 38.727 19.744 1.00 0.00 H new ATOM 251 N ALA A 17 28.607 41.567 17.205 1.00 0.00 N ATOM 252 CA ALA A 17 29.052 42.726 16.434 1.00 0.00 C ATOM 253 C ALA A 17 28.026 43.858 16.283 1.00 0.00 C ATOM 254 O ALA A 17 28.430 45.021 16.162 1.00 0.00 O ATOM 255 CB ALA A 17 29.466 42.213 15.056 1.00 0.00 C ATOM 0 H ALA A 17 28.219 40.822 16.626 1.00 0.00 H new ATOM 0 HA ALA A 17 29.872 43.184 16.987 1.00 0.00 H new ATOM 0 HB1 ALA A 17 29.807 43.048 14.444 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.274 41.490 15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 28.613 41.735 14.575 1.00 0.00 H new ATOM 261 N LYS A 18 26.728 43.532 16.238 1.00 0.00 N ATOM 262 CA LYS A 18 25.656 44.490 15.935 1.00 0.00 C ATOM 263 C LYS A 18 24.345 44.103 16.615 1.00 0.00 C ATOM 264 O LYS A 18 23.936 42.940 16.603 1.00 0.00 O ATOM 265 CB LYS A 18 25.487 44.591 14.411 1.00 0.00 C ATOM 266 CG LYS A 18 24.759 45.860 13.948 1.00 0.00 C ATOM 267 CD LYS A 18 24.655 45.888 12.419 1.00 0.00 C ATOM 268 CE LYS A 18 23.912 47.145 11.956 1.00 0.00 C ATOM 269 NZ LYS A 18 23.850 47.239 10.478 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.389 42.586 16.413 1.00 0.00 H new ATOM 0 HA LYS A 18 25.934 45.467 16.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.471 44.558 13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.936 43.719 14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.762 45.896 14.387 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.294 46.742 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.652 45.865 11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 24.132 44.999 12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.900 47.139 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.410 48.029 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.339 48.103 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.815 47.271 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.352 46.409 10.098 1.00 0.00 H new ATOM 283 N LEU A 19 23.677 45.101 17.179 1.00 0.00 N ATOM 284 CA LEU A 19 22.388 44.956 17.864 1.00 0.00 C ATOM 285 C LEU A 19 21.276 44.615 16.852 1.00 0.00 C ATOM 286 O LEU A 19 21.272 45.107 15.718 1.00 0.00 O ATOM 287 CB LEU A 19 22.064 46.232 18.668 1.00 0.00 C ATOM 288 CG LEU A 19 23.125 46.644 19.713 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.771 48.008 20.305 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.235 45.641 20.865 1.00 0.00 C ATOM 0 H LEU A 19 24.021 46.061 17.175 1.00 0.00 H new ATOM 0 HA LEU A 19 22.450 44.129 18.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.928 47.057 17.969 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.112 46.087 19.179 1.00 0.00 H new ATOM 0 HG LEU A 19 24.081 46.677 19.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.523 48.292 21.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.742 48.753 19.510 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.795 47.953 20.787 1.00 0.00 H new ATOM 0 HD21 LEU A 19 23.994 45.979 21.570 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.274 45.566 21.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.515 44.664 20.471 1.00 0.00 H new ATOM 302 N GLY A 20 20.339 43.753 17.241 1.00 0.00 N ATOM 303 CA GLY A 20 19.284 43.214 16.370 1.00 0.00 C ATOM 304 C GLY A 20 19.712 42.051 15.462 1.00 0.00 C ATOM 305 O GLY A 20 18.882 41.198 15.139 1.00 0.00 O ATOM 0 H GLY A 20 20.287 43.397 18.196 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.456 42.880 16.995 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.905 44.022 15.744 1.00 0.00 H new ATOM 309 N ASP A 21 20.993 41.943 15.093 1.00 0.00 N ATOM 310 CA ASP A 21 21.531 40.806 14.329 1.00 0.00 C ATOM 311 C ASP A 21 21.798 39.611 15.270 1.00 0.00 C ATOM 312 O ASP A 21 22.933 39.265 15.602 1.00 0.00 O ATOM 313 CB ASP A 21 22.730 41.219 13.450 1.00 0.00 C ATOM 314 CG ASP A 21 22.376 42.157 12.280 1.00 0.00 C ATOM 315 OD1 ASP A 21 21.243 42.694 12.201 1.00 0.00 O ATOM 316 OD2 ASP A 21 23.218 42.351 11.373 1.00 0.00 O1- ATOM 0 H ASP A 21 21.695 42.648 15.317 1.00 0.00 H new ATOM 0 HA ASP A 21 20.783 40.465 13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.473 41.709 14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.196 40.319 13.049 1.00 0.00 H new ATOM 321 N ASN A 22 20.707 39.027 15.773 1.00 0.00 N ATOM 322 CA ASN A 22 20.681 38.004 16.819 1.00 0.00 C ATOM 323 C ASN A 22 20.851 36.545 16.350 1.00 0.00 C ATOM 324 O ASN A 22 21.079 35.675 17.190 1.00 0.00 O ATOM 325 CB ASN A 22 19.332 38.138 17.545 1.00 0.00 C ATOM 326 CG ASN A 22 19.083 39.510 18.147 1.00 0.00 C ATOM 327 OD1 ASN A 22 19.990 40.189 18.608 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.849 39.947 18.186 1.00 0.00 N ATOM 0 H ASN A 22 19.772 39.268 15.445 1.00 0.00 H new ATOM 0 HA ASN A 22 21.549 38.189 17.452 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.530 37.911 16.843 1.00 0.00 H new ATOM 0 HB3 ASN A 22 19.283 37.391 18.338 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.643 40.855 18.601 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.094 39.379 17.801 1.00 0.00 H new ATOM 335 N ASP A 23 20.726 36.230 15.055 1.00 0.00 N ATOM 336 CA ASP A 23 20.621 34.833 14.594 1.00 0.00 C ATOM 337 C ASP A 23 21.837 33.945 14.922 1.00 0.00 C ATOM 338 O ASP A 23 21.652 32.749 15.175 1.00 0.00 O ATOM 339 CB ASP A 23 20.288 34.763 13.093 1.00 0.00 C ATOM 340 CG ASP A 23 18.931 35.380 12.735 1.00 0.00 C ATOM 341 OD1 ASP A 23 17.932 35.142 13.457 1.00 0.00 O ATOM 342 OD2 ASP A 23 18.847 36.100 11.711 1.00 0.00 O1- ATOM 0 H ASP A 23 20.695 36.921 14.305 1.00 0.00 H new ATOM 0 HA ASP A 23 19.796 34.416 15.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.070 35.275 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.299 33.720 12.775 1.00 0.00 H new ATOM 347 N TYR A 24 23.061 34.481 14.984 1.00 0.00 N ATOM 348 CA TYR A 24 24.211 33.689 15.447 1.00 0.00 C ATOM 349 C TYR A 24 24.219 33.474 16.971 1.00 0.00 C ATOM 350 O TYR A 24 24.539 32.382 17.439 1.00 0.00 O ATOM 351 CB TYR A 24 25.527 34.286 14.956 1.00 0.00 C ATOM 352 CG TYR A 24 26.654 33.274 15.030 1.00 0.00 C ATOM 353 CD1 TYR A 24 26.815 32.350 13.981 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.496 33.209 16.157 1.00 0.00 C ATOM 355 CE1 TYR A 24 27.841 31.389 14.032 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.507 32.231 16.222 1.00 0.00 C ATOM 357 CZ TYR A 24 28.685 31.327 15.157 1.00 0.00 C ATOM 358 OH TYR A 24 29.681 30.404 15.195 1.00 0.00 O ATOM 0 H TYR A 24 23.281 35.443 14.725 1.00 0.00 H new ATOM 0 HA TYR A 24 24.104 32.699 15.004 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.411 34.630 13.928 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.779 35.159 15.558 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.147 32.379 13.132 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.367 33.908 16.970 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.981 30.701 13.211 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.147 32.174 17.090 1.00 0.00 H new ATOM 0 HH TYR A 24 30.175 30.490 16.037 1.00 0.00 H new ATOM 368 N CYS A 25 23.780 34.457 17.760 1.00 0.00 N ATOM 369 CA CYS A 25 23.551 34.264 19.194 1.00 0.00 C ATOM 370 C CYS A 25 22.480 33.181 19.461 1.00 0.00 C ATOM 371 O CYS A 25 22.661 32.334 20.335 1.00 0.00 O ATOM 372 CB CYS A 25 23.214 35.623 19.821 1.00 0.00 C ATOM 373 SG CYS A 25 22.790 35.593 21.581 1.00 0.00 S ATOM 0 H CYS A 25 23.575 35.399 17.428 1.00 0.00 H new ATOM 0 HA CYS A 25 24.455 33.884 19.670 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.067 36.287 19.683 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.379 36.058 19.272 1.00 0.00 H new ATOM 378 N VAL A 26 21.419 33.119 18.645 1.00 0.00 N ATOM 379 CA VAL A 26 20.412 32.038 18.695 1.00 0.00 C ATOM 380 C VAL A 26 21.037 30.659 18.427 1.00 0.00 C ATOM 381 O VAL A 26 20.785 29.729 19.198 1.00 0.00 O ATOM 382 CB VAL A 26 19.238 32.329 17.735 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.236 31.171 17.643 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.465 33.572 18.182 1.00 0.00 C ATOM 0 H VAL A 26 21.230 33.818 17.927 1.00 0.00 H new ATOM 0 HA VAL A 26 20.012 32.010 19.709 1.00 0.00 H new ATOM 0 HB VAL A 26 19.694 32.479 16.756 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.435 31.437 16.953 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.745 30.277 17.281 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.815 30.975 18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.643 33.757 17.491 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.067 33.412 19.184 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.133 34.433 18.190 1.00 0.00 H new ATOM 394 N ARG A 27 21.903 30.529 17.403 1.00 0.00 N ATOM 395 CA ARG A 27 22.699 29.308 17.133 1.00 0.00 C ATOM 396 C ARG A 27 23.504 28.890 18.358 1.00 0.00 C ATOM 397 O ARG A 27 23.444 27.742 18.788 1.00 0.00 O ATOM 398 CB ARG A 27 23.634 29.533 15.924 1.00 0.00 C ATOM 399 CG ARG A 27 24.712 28.445 15.745 1.00 0.00 C ATOM 400 CD ARG A 27 25.579 28.673 14.501 1.00 0.00 C ATOM 401 NE ARG A 27 26.899 28.012 14.614 1.00 0.00 N ATOM 402 CZ ARG A 27 27.728 27.724 13.623 1.00 0.00 C ATOM 403 NH1 ARG A 27 27.428 27.933 12.376 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 28.912 27.232 13.840 1.00 0.00 N ATOM 0 H ARG A 27 22.074 31.276 16.730 1.00 0.00 H new ATOM 0 HA ARG A 27 22.006 28.500 16.897 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.031 29.583 15.017 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.125 30.500 16.034 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.350 28.422 16.629 1.00 0.00 H new ATOM 0 HG3 ARG A 27 24.230 27.470 15.674 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.058 28.294 13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.721 29.743 14.350 1.00 0.00 H new ATOM 0 HE ARG A 27 27.201 27.752 15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 27 26.523 28.334 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 27 28.097 27.696 11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 27 29.225 27.058 14.795 1.00 0.00 H new ATOM 0 HH22 ARG A 27 29.528 27.020 13.055 1.00 0.00 H new ATOM 418 N GLU A 28 24.266 29.824 18.910 1.00 0.00 N ATOM 419 CA GLU A 28 25.144 29.555 20.052 1.00 0.00 C ATOM 420 C GLU A 28 24.374 29.116 21.304 1.00 0.00 C ATOM 421 O GLU A 28 24.764 28.120 21.916 1.00 0.00 O ATOM 422 CB GLU A 28 26.002 30.782 20.372 1.00 0.00 C ATOM 423 CG GLU A 28 27.056 31.101 19.304 1.00 0.00 C ATOM 424 CD GLU A 28 28.319 30.241 19.430 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.240 28.986 19.465 1.00 0.00 O ATOM 426 OE2 GLU A 28 29.425 30.826 19.477 1.00 0.00 O1- ATOM 0 H GLU A 28 24.297 30.790 18.583 1.00 0.00 H new ATOM 0 HA GLU A 28 25.787 28.724 19.760 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.350 31.647 20.494 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.503 30.623 21.327 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.620 30.953 18.316 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.331 32.153 19.377 1.00 0.00 H new ATOM 433 N CYS A 29 23.264 29.783 21.650 1.00 0.00 N ATOM 434 CA CYS A 29 22.424 29.411 22.793 1.00 0.00 C ATOM 435 C CYS A 29 21.837 28.001 22.618 1.00 0.00 C ATOM 436 O CYS A 29 21.865 27.208 23.558 1.00 0.00 O ATOM 437 CB CYS A 29 21.301 30.447 22.987 1.00 0.00 C ATOM 438 SG CYS A 29 21.812 32.105 23.531 1.00 0.00 S ATOM 0 H CYS A 29 22.924 30.599 21.141 1.00 0.00 H new ATOM 0 HA CYS A 29 23.050 29.400 23.685 1.00 0.00 H new ATOM 0 HB2 CYS A 29 20.763 30.548 22.044 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.594 30.051 23.716 1.00 0.00 H new ATOM 443 N ARG A 30 21.340 27.659 21.419 1.00 0.00 N ATOM 444 CA ARG A 30 20.696 26.356 21.138 1.00 0.00 C ATOM 445 C ARG A 30 21.656 25.195 20.863 1.00 0.00 C ATOM 446 O ARG A 30 21.215 24.050 20.782 1.00 0.00 O ATOM 447 CB ARG A 30 19.616 26.546 20.061 1.00 0.00 C ATOM 448 CG ARG A 30 20.155 26.554 18.623 1.00 0.00 C ATOM 449 CD ARG A 30 19.100 27.010 17.610 1.00 0.00 C ATOM 450 NE ARG A 30 17.983 26.052 17.525 1.00 0.00 N ATOM 451 CZ ARG A 30 17.428 25.552 16.439 1.00 0.00 C ATOM 452 NH1 ARG A 30 17.699 25.988 15.246 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 16.564 24.592 16.570 1.00 0.00 N ATOM 0 H ARG A 30 21.371 28.279 20.609 1.00 0.00 H new ATOM 0 HA ARG A 30 20.216 26.028 22.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.879 25.748 20.156 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.095 27.485 20.247 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.020 27.214 18.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.499 25.554 18.361 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.719 27.990 17.896 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.561 27.121 16.628 1.00 0.00 H new ATOM 0 HE ARG A 30 17.593 25.738 18.414 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.367 26.749 15.121 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.244 25.570 14.435 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.328 24.241 17.498 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.121 24.189 15.745 1.00 0.00 H new ATOM 467 N LEU A 31 22.956 25.477 20.735 1.00 0.00 N ATOM 468 CA LEU A 31 24.012 24.456 20.693 1.00 0.00 C ATOM 469 C LEU A 31 24.736 24.291 22.042 1.00 0.00 C ATOM 470 O LEU A 31 25.205 23.188 22.337 1.00 0.00 O ATOM 471 CB LEU A 31 24.980 24.772 19.538 1.00 0.00 C ATOM 472 CG LEU A 31 24.345 24.606 18.141 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.312 25.094 17.066 1.00 0.00 C ATOM 474 CD2 LEU A 31 23.999 23.152 17.818 1.00 0.00 C ATOM 0 H LEU A 31 23.311 26.430 20.657 1.00 0.00 H new ATOM 0 HA LEU A 31 23.548 23.488 20.504 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.340 25.795 19.646 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.849 24.119 19.614 1.00 0.00 H new ATOM 0 HG LEU A 31 23.427 25.193 18.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.855 24.973 16.084 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.540 26.147 17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.232 24.511 17.113 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.556 23.096 16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.906 22.547 17.846 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.289 22.775 18.554 1.00 0.00 H new ATOM 486 N ARG A 32 24.782 25.344 22.874 1.00 0.00 N ATOM 487 CA ARG A 32 25.252 25.313 24.272 1.00 0.00 C ATOM 488 C ARG A 32 24.239 24.632 25.201 1.00 0.00 C ATOM 489 O ARG A 32 24.606 23.751 25.975 1.00 0.00 O ATOM 490 CB ARG A 32 25.529 26.764 24.719 1.00 0.00 C ATOM 491 CG ARG A 32 26.085 26.916 26.145 1.00 0.00 C ATOM 492 CD ARG A 32 27.484 26.327 26.344 1.00 0.00 C ATOM 493 NE ARG A 32 28.526 27.067 25.606 1.00 0.00 N ATOM 494 CZ ARG A 32 29.821 27.052 25.854 1.00 0.00 C ATOM 495 NH1 ARG A 32 30.355 26.429 26.861 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.650 27.658 25.065 1.00 0.00 N ATOM 0 H ARG A 32 24.483 26.275 22.583 1.00 0.00 H new ATOM 0 HA ARG A 32 26.166 24.722 24.332 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.235 27.213 24.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.602 27.333 24.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.110 27.975 26.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.399 26.435 26.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.727 26.330 27.407 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.485 25.286 26.019 1.00 0.00 H new ATOM 0 HE ARG A 32 28.214 27.647 24.827 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.764 25.914 27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 32 31.365 26.455 26.999 1.00 0.00 H new ATOM 0 HH21 ARG A 32 30.303 28.153 24.243 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.650 27.641 25.265 1.00 0.00 H new ATOM 510 N TYR A 33 22.972 25.031 25.112 1.00 0.00 N ATOM 511 CA TYR A 33 21.832 24.417 25.807 1.00 0.00 C ATOM 512 C TYR A 33 21.048 23.492 24.857 1.00 0.00 C ATOM 513 O TYR A 33 21.523 23.149 23.771 1.00 0.00 O ATOM 514 CB TYR A 33 20.951 25.533 26.414 1.00 0.00 C ATOM 515 CG TYR A 33 21.670 26.571 27.262 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.268 27.922 27.214 1.00 0.00 C ATOM 517 CD2 TYR A 33 22.735 26.189 28.103 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.971 28.897 27.959 1.00 0.00 C ATOM 519 CE2 TYR A 33 23.434 27.156 28.842 1.00 0.00 C ATOM 520 CZ TYR A 33 23.068 28.513 28.764 1.00 0.00 C ATOM 521 OH TYR A 33 23.802 29.423 29.457 1.00 0.00 O ATOM 0 H TYR A 33 22.695 25.823 24.531 1.00 0.00 H new ATOM 0 HA TYR A 33 22.187 23.786 26.622 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.443 26.049 25.600 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.180 25.066 27.026 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.423 28.212 26.608 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.014 25.148 28.179 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.670 29.933 27.913 1.00 0.00 H new ATOM 0 HE2 TYR A 33 24.257 26.857 29.474 1.00 0.00 H new ATOM 0 HH TYR A 33 23.416 30.315 29.336 1.00 0.00 H new ATOM 531 N TYR A 34 19.849 23.073 25.267 1.00 0.00 N ATOM 532 CA TYR A 34 18.883 22.365 24.423 1.00 0.00 C ATOM 533 C TYR A 34 18.546 23.072 23.095 1.00 0.00 C ATOM 534 O TYR A 34 18.551 24.301 22.985 1.00 0.00 O ATOM 535 CB TYR A 34 17.598 22.090 25.225 1.00 0.00 C ATOM 536 CG TYR A 34 16.634 23.251 25.463 1.00 0.00 C ATOM 537 CD1 TYR A 34 15.248 22.996 25.465 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.091 24.559 25.739 1.00 0.00 C ATOM 539 CE1 TYR A 34 14.332 24.033 25.718 1.00 0.00 C ATOM 540 CE2 TYR A 34 16.185 25.600 25.995 1.00 0.00 C ATOM 541 CZ TYR A 34 14.801 25.337 25.974 1.00 0.00 C ATOM 542 OH TYR A 34 13.926 26.343 26.199 1.00 0.00 O ATOM 0 H TYR A 34 19.514 23.220 26.219 1.00 0.00 H new ATOM 0 HA TYR A 34 19.365 21.431 24.135 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.048 21.300 24.713 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.891 21.695 26.198 1.00 0.00 H new ATOM 0 HD1 TYR A 34 14.886 21.997 25.271 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.152 24.761 25.753 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.271 23.830 25.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 16.546 26.596 26.207 1.00 0.00 H new ATOM 0 HH TYR A 34 13.114 25.984 26.614 1.00 0.00 H new ATOM 552 N GLN A 35 18.166 22.271 22.098 1.00 0.00 N ATOM 553 CA GLN A 35 17.885 22.687 20.715 1.00 0.00 C ATOM 554 C GLN A 35 16.821 23.779 20.531 1.00 0.00 C ATOM 555 O GLN A 35 16.760 24.387 19.462 1.00 0.00 O ATOM 556 CB GLN A 35 17.485 21.436 19.920 1.00 0.00 C ATOM 557 CG GLN A 35 16.060 20.884 20.161 1.00 0.00 C ATOM 558 CD GLN A 35 15.838 20.298 21.556 1.00 0.00 C ATOM 559 OE1 GLN A 35 16.407 19.276 21.920 1.00 0.00 O ATOM 560 NE2 GLN A 35 14.997 20.877 22.385 1.00 0.00 N ATOM 0 H GLN A 35 18.039 21.268 22.235 1.00 0.00 H new ATOM 0 HA GLN A 35 18.802 23.152 20.352 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.587 21.661 18.858 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.199 20.645 20.149 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.340 21.686 19.998 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.852 20.113 19.419 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.511 21.729 22.106 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.831 20.474 23.307 1.00 0.00 H new ATOM 569 N SER A 36 15.972 24.011 21.533 1.00 0.00 N ATOM 570 CA SER A 36 14.874 24.978 21.488 1.00 0.00 C ATOM 571 C SER A 36 15.207 26.305 22.184 1.00 0.00 C ATOM 572 O SER A 36 14.321 27.143 22.356 1.00 0.00 O ATOM 573 CB SER A 36 13.612 24.340 22.069 1.00 0.00 C ATOM 574 OG SER A 36 13.376 23.081 21.465 1.00 0.00 O ATOM 0 H SER A 36 16.031 23.517 22.424 1.00 0.00 H new ATOM 0 HA SER A 36 14.703 25.236 20.443 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.720 24.219 23.147 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.757 24.996 21.906 1.00 0.00 H new ATOM 0 HG SER A 36 12.566 22.682 21.846 1.00 0.00 H new ATOM 580 N ALA A 37 16.460 26.518 22.603 1.00 0.00 N ATOM 581 CA ALA A 37 16.877 27.808 23.180 1.00 0.00 C ATOM 582 C ALA A 37 16.801 28.984 22.176 1.00 0.00 C ATOM 583 O ALA A 37 16.817 28.783 20.957 1.00 0.00 O ATOM 584 CB ALA A 37 18.292 27.678 23.749 1.00 0.00 C ATOM 0 H ALA A 37 17.202 25.820 22.555 1.00 0.00 H new ATOM 0 HA ALA A 37 16.172 28.047 23.976 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.601 28.632 24.176 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.303 26.912 24.525 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.980 27.397 22.952 1.00 0.00 H new ATOM 590 N HIS A 38 16.764 30.222 22.682 1.00 0.00 N ATOM 591 CA HIS A 38 16.803 31.464 21.888 1.00 0.00 C ATOM 592 C HIS A 38 17.711 32.520 22.556 1.00 0.00 C ATOM 593 O HIS A 38 18.322 32.236 23.588 1.00 0.00 O ATOM 594 CB HIS A 38 15.358 31.944 21.652 1.00 0.00 C ATOM 595 CG HIS A 38 15.193 32.725 20.374 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.421 34.094 20.222 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.862 32.197 19.161 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.233 34.357 18.916 1.00 0.00 C ATOM 599 NE2 HIS A 38 14.888 33.238 18.259 1.00 0.00 N ATOM 0 H HIS A 38 16.704 30.397 23.685 1.00 0.00 H new ATOM 0 HA HIS A 38 17.252 31.281 20.912 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.694 31.080 21.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.046 32.565 22.492 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.626 31.165 18.949 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.344 35.330 18.461 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.681 33.170 17.263 1.00 0.00 H new ATOM 607 N GLY A 39 17.847 33.718 21.977 1.00 0.00 N ATOM 608 CA GLY A 39 18.699 34.785 22.521 1.00 0.00 C ATOM 609 C GLY A 39 18.746 36.074 21.693 1.00 0.00 C ATOM 610 O GLY A 39 18.051 36.210 20.684 1.00 0.00 O ATOM 0 H GLY A 39 17.368 33.977 21.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.350 35.030 23.524 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.714 34.401 22.622 1.00 0.00 H new ATOM 614 N TYR A 40 19.559 37.037 22.137 1.00 0.00 N ATOM 615 CA TYR A 40 19.814 38.314 21.460 1.00 0.00 C ATOM 616 C TYR A 40 21.171 38.940 21.812 1.00 0.00 C ATOM 617 O TYR A 40 21.825 38.579 22.792 1.00 0.00 O ATOM 618 CB TYR A 40 18.668 39.320 21.687 1.00 0.00 C ATOM 619 CG TYR A 40 18.568 40.039 23.034 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.716 39.355 24.261 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.271 41.418 23.051 1.00 0.00 C ATOM 622 CE1 TYR A 40 18.584 40.043 25.485 1.00 0.00 C ATOM 623 CE2 TYR A 40 18.128 42.106 24.272 1.00 0.00 C ATOM 624 CZ TYR A 40 18.288 41.421 25.496 1.00 0.00 C ATOM 625 OH TYR A 40 18.139 42.088 26.672 1.00 0.00 O ATOM 0 H TYR A 40 20.078 36.946 23.011 1.00 0.00 H new ATOM 0 HA TYR A 40 19.856 38.073 20.398 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.741 40.083 20.912 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.729 38.791 21.526 1.00 0.00 H new ATOM 0 HD1 TYR A 40 18.932 38.297 24.262 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.152 41.951 22.119 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.710 39.512 26.417 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.895 43.161 24.272 1.00 0.00 H new ATOM 0 HH TYR A 40 18.829 42.781 26.745 1.00 0.00 H new ATOM 635 N CYS A 41 21.596 39.890 20.978 1.00 0.00 N ATOM 636 CA CYS A 41 22.803 40.688 21.179 1.00 0.00 C ATOM 637 C CYS A 41 22.504 41.904 22.075 1.00 0.00 C ATOM 638 O CYS A 41 21.683 42.753 21.721 1.00 0.00 O ATOM 639 CB CYS A 41 23.368 41.086 19.804 1.00 0.00 C ATOM 640 SG CYS A 41 24.909 42.040 19.851 1.00 0.00 S ATOM 0 H CYS A 41 21.096 40.131 20.122 1.00 0.00 H new ATOM 0 HA CYS A 41 23.562 40.105 21.701 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.538 40.180 19.222 1.00 0.00 H new ATOM 0 HB3 CYS A 41 22.615 41.669 19.274 1.00 0.00 H new ATOM 645 N TYR A 42 23.166 42.003 23.231 1.00 0.00 N ATOM 646 CA TYR A 42 22.892 43.018 24.258 1.00 0.00 C ATOM 647 C TYR A 42 24.192 43.491 24.926 1.00 0.00 C ATOM 648 O TYR A 42 25.012 42.665 25.331 1.00 0.00 O ATOM 649 CB TYR A 42 21.903 42.423 25.271 1.00 0.00 C ATOM 650 CG TYR A 42 21.664 43.290 26.490 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.916 44.477 26.373 1.00 0.00 C ATOM 652 CD2 TYR A 42 22.219 42.925 27.732 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.737 45.310 27.496 1.00 0.00 C ATOM 654 CE2 TYR A 42 22.044 43.755 28.855 1.00 0.00 C ATOM 655 CZ TYR A 42 21.303 44.950 28.736 1.00 0.00 C ATOM 656 OH TYR A 42 21.180 45.791 29.799 1.00 0.00 O ATOM 0 H TYR A 42 23.923 41.369 23.486 1.00 0.00 H new ATOM 0 HA TYR A 42 22.446 43.903 23.804 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.950 42.248 24.771 1.00 0.00 H new ATOM 0 HB3 TYR A 42 22.275 41.452 25.597 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.480 44.749 25.423 1.00 0.00 H new ATOM 0 HD2 TYR A 42 22.780 42.007 27.823 1.00 0.00 H new ATOM 0 HE1 TYR A 42 20.167 46.223 27.407 1.00 0.00 H new ATOM 0 HE2 TYR A 42 22.476 43.478 29.805 1.00 0.00 H new ATOM 0 HH TYR A 42 21.623 45.398 30.580 1.00 0.00 H new ATOM 666 N ALA A 43 24.421 44.808 24.998 1.00 0.00 N ATOM 667 CA ALA A 43 25.696 45.402 25.424 1.00 0.00 C ATOM 668 C ALA A 43 26.918 44.824 24.660 1.00 0.00 C ATOM 669 O ALA A 43 28.001 44.640 25.226 1.00 0.00 O ATOM 670 CB ALA A 43 25.802 45.350 26.956 1.00 0.00 C ATOM 0 H ALA A 43 23.714 45.503 24.758 1.00 0.00 H new ATOM 0 HA ALA A 43 25.711 46.455 25.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.748 45.791 27.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.977 45.909 27.397 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.757 44.313 27.289 1.00 0.00 H new ATOM 676 N PHE A 44 26.716 44.494 23.371 1.00 0.00 N ATOM 677 CA PHE A 44 27.678 43.836 22.470 1.00 0.00 C ATOM 678 C PHE A 44 28.167 42.442 22.926 1.00 0.00 C ATOM 679 O PHE A 44 29.257 42.001 22.549 1.00 0.00 O ATOM 680 CB PHE A 44 28.789 44.813 22.049 1.00 0.00 C ATOM 681 CG PHE A 44 28.252 46.065 21.379 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.023 47.235 22.130 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.929 46.039 20.007 1.00 0.00 C ATOM 684 CE1 PHE A 44 27.469 48.372 21.513 1.00 0.00 C ATOM 685 CE2 PHE A 44 27.375 47.176 19.392 1.00 0.00 C ATOM 686 CZ PHE A 44 27.142 48.341 20.144 1.00 0.00 C ATOM 0 H PHE A 44 25.830 44.690 22.906 1.00 0.00 H new ATOM 0 HA PHE A 44 27.127 43.578 21.565 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.368 45.097 22.928 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.472 44.307 21.367 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.273 47.259 23.180 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.107 45.145 19.428 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.295 49.268 22.090 1.00 0.00 H new ATOM 0 HE2 PHE A 44 27.128 47.154 18.341 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.712 49.212 19.672 1.00 0.00 H new ATOM 696 N ALA A 45 27.346 41.716 23.694 1.00 0.00 N ATOM 697 CA ALA A 45 27.550 40.305 24.027 1.00 0.00 C ATOM 698 C ALA A 45 26.249 39.480 23.935 1.00 0.00 C ATOM 699 O ALA A 45 25.149 39.992 24.157 1.00 0.00 O ATOM 700 CB ALA A 45 28.209 40.221 25.401 1.00 0.00 C ATOM 0 H ALA A 45 26.500 42.105 24.111 1.00 0.00 H new ATOM 0 HA ALA A 45 28.213 39.854 23.288 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.368 39.175 25.665 1.00 0.00 H new ATOM 0 HB2 ALA A 45 29.168 40.739 25.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 27.562 40.688 26.144 1.00 0.00 H new ATOM 706 N CYS A 46 26.361 38.194 23.595 1.00 0.00 N ATOM 707 CA CYS A 46 25.208 37.301 23.430 1.00 0.00 C ATOM 708 C CYS A 46 24.565 36.920 24.778 1.00 0.00 C ATOM 709 O CYS A 46 25.257 36.502 25.710 1.00 0.00 O ATOM 710 CB CYS A 46 25.643 36.067 22.628 1.00 0.00 C ATOM 711 SG CYS A 46 24.407 34.748 22.488 1.00 0.00 S ATOM 0 H CYS A 46 27.258 37.739 23.425 1.00 0.00 H new ATOM 0 HA CYS A 46 24.431 37.829 22.877 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.921 36.388 21.624 1.00 0.00 H new ATOM 0 HB3 CYS A 46 26.539 35.653 23.090 1.00 0.00 H new ATOM 716 N TRP A 47 23.238 37.039 24.869 1.00 0.00 N ATOM 717 CA TRP A 47 22.425 36.726 26.050 1.00 0.00 C ATOM 718 C TRP A 47 21.213 35.874 25.648 1.00 0.00 C ATOM 719 O TRP A 47 20.556 36.172 24.650 1.00 0.00 O ATOM 720 CB TRP A 47 21.988 38.039 26.707 1.00 0.00 C ATOM 721 CG TRP A 47 21.357 37.918 28.059 1.00 0.00 C ATOM 722 CD1 TRP A 47 20.050 37.676 28.303 1.00 0.00 C ATOM 723 CD2 TRP A 47 21.997 38.009 29.370 1.00 0.00 C ATOM 724 NE1 TRP A 47 19.824 37.673 29.664 1.00 0.00 N ATOM 725 CE2 TRP A 47 20.990 37.860 30.372 1.00 0.00 C ATOM 726 CE3 TRP A 47 23.320 38.228 29.815 1.00 0.00 C ATOM 727 CZ2 TRP A 47 21.276 37.935 31.742 1.00 0.00 C ATOM 728 CZ3 TRP A 47 23.622 38.292 31.191 1.00 0.00 C ATOM 729 CH2 TRP A 47 22.603 38.145 32.152 1.00 0.00 C ATOM 0 H TRP A 47 22.674 37.371 24.087 1.00 0.00 H new ATOM 0 HA TRP A 47 23.009 36.148 26.766 1.00 0.00 H new ATOM 0 HB2 TRP A 47 22.860 38.688 26.792 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.283 38.538 26.042 1.00 0.00 H new ATOM 0 HD1 TRP A 47 19.297 37.510 27.547 1.00 0.00 H new ATOM 0 HE1 TRP A 47 18.907 37.548 30.093 1.00 0.00 H new ATOM 0 HE3 TRP A 47 24.112 38.348 29.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.487 37.833 32.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 24.641 38.455 31.510 1.00 0.00 H new ATOM 0 HH2 TRP A 47 22.842 38.194 33.204 1.00 0.00 H new ATOM 740 N CYS A 48 20.909 34.812 26.392 1.00 0.00 N ATOM 741 CA CYS A 48 19.916 33.813 25.998 1.00 0.00 C ATOM 742 C CYS A 48 18.528 34.069 26.624 1.00 0.00 C ATOM 743 O CYS A 48 18.398 34.584 27.738 1.00 0.00 O ATOM 744 CB CYS A 48 20.461 32.412 26.298 1.00 0.00 C ATOM 745 SG CYS A 48 22.070 31.995 25.559 1.00 0.00 S ATOM 0 H CYS A 48 21.348 34.619 27.292 1.00 0.00 H new ATOM 0 HA CYS A 48 19.749 33.893 24.924 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.543 32.301 27.379 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.729 31.680 25.957 1.00 0.00 H new ATOM 750 N THR A 49 17.465 33.699 25.908 1.00 0.00 N ATOM 751 CA THR A 49 16.056 33.997 26.236 1.00 0.00 C ATOM 752 C THR A 49 15.136 32.832 25.855 1.00 0.00 C ATOM 753 O THR A 49 15.542 31.928 25.123 1.00 0.00 O ATOM 754 CB THR A 49 15.570 35.296 25.555 1.00 0.00 C ATOM 755 OG1 THR A 49 15.490 35.148 24.155 1.00 0.00 O ATOM 756 CG2 THR A 49 16.446 36.516 25.840 1.00 0.00 C ATOM 0 H THR A 49 17.558 33.161 25.047 1.00 0.00 H new ATOM 0 HA THR A 49 16.010 34.141 27.316 1.00 0.00 H new ATOM 0 HB THR A 49 14.585 35.471 25.988 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.574 34.908 23.903 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.037 37.386 25.326 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.468 36.706 26.913 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.459 36.328 25.484 1.00 0.00 H new ATOM 764 N HIS A 50 13.890 32.845 26.351 1.00 0.00 N ATOM 765 CA HIS A 50 12.865 31.826 26.050 1.00 0.00 C ATOM 766 C HIS A 50 13.308 30.397 26.424 1.00 0.00 C ATOM 767 O HIS A 50 12.993 29.430 25.726 1.00 0.00 O ATOM 768 CB HIS A 50 12.364 31.968 24.595 1.00 0.00 C ATOM 769 CG HIS A 50 11.872 33.353 24.239 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.673 34.468 23.964 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.565 33.733 24.179 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.826 35.496 23.767 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.555 35.078 23.876 1.00 0.00 N ATOM 0 H HIS A 50 13.558 33.574 26.983 1.00 0.00 H new ATOM 0 HA HIS A 50 12.007 32.015 26.696 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.173 31.697 23.916 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.557 31.255 24.430 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.703 33.102 24.338 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.126 36.511 23.552 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.724 35.657 23.755 1.00 0.00 H new ATOM 781 N LEU A 51 14.082 30.288 27.509 1.00 0.00 N ATOM 782 CA LEU A 51 14.687 29.057 28.019 1.00 0.00 C ATOM 783 C LEU A 51 13.792 28.315 29.020 1.00 0.00 C ATOM 784 O LEU A 51 12.977 28.919 29.734 1.00 0.00 O ATOM 785 CB LEU A 51 16.038 29.349 28.707 1.00 0.00 C ATOM 786 CG LEU A 51 17.038 30.223 27.935 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.288 30.419 28.792 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.439 29.573 26.612 1.00 0.00 C ATOM 0 H LEU A 51 14.314 31.098 28.083 1.00 0.00 H new ATOM 0 HA LEU A 51 14.829 28.420 27.146 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.834 29.831 29.663 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.520 28.396 28.927 1.00 0.00 H new ATOM 0 HG LEU A 51 16.564 31.180 27.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.005 31.038 28.253 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.015 30.909 29.727 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.737 29.449 29.008 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.147 30.217 26.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.903 28.606 26.807 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.553 29.432 25.993 1.00 0.00 H new ATOM 800 N TYR A 52 14.039 27.011 29.132 1.00 0.00 N ATOM 801 CA TYR A 52 13.507 26.137 30.173 1.00 0.00 C ATOM 802 C TYR A 52 13.967 26.531 31.591 1.00 0.00 C ATOM 803 O TYR A 52 15.027 27.132 31.786 1.00 0.00 O ATOM 804 CB TYR A 52 13.840 24.668 29.836 1.00 0.00 C ATOM 805 CG TYR A 52 15.276 24.205 29.549 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.429 25.002 29.736 1.00 0.00 C ATOM 807 CD2 TYR A 52 15.440 22.890 29.070 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.716 24.491 29.446 1.00 0.00 C ATOM 809 CE2 TYR A 52 16.717 22.375 28.778 1.00 0.00 C ATOM 810 CZ TYR A 52 17.864 23.175 28.956 1.00 0.00 C ATOM 811 OH TYR A 52 19.091 22.672 28.632 1.00 0.00 O ATOM 0 H TYR A 52 14.640 26.516 28.473 1.00 0.00 H new ATOM 0 HA TYR A 52 12.424 26.257 30.188 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.475 24.064 30.667 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.244 24.403 28.963 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.326 26.012 30.104 1.00 0.00 H new ATOM 0 HD2 TYR A 52 14.570 22.266 28.924 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.588 25.109 29.600 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.819 21.363 28.416 1.00 0.00 H new ATOM 0 HH TYR A 52 18.993 21.750 28.313 1.00 0.00 H new ATOM 821 N GLU A 53 13.195 26.154 32.613 1.00 0.00 N ATOM 822 CA GLU A 53 13.589 26.350 34.023 1.00 0.00 C ATOM 823 C GLU A 53 14.817 25.497 34.421 1.00 0.00 C ATOM 824 O GLU A 53 15.504 25.794 35.400 1.00 0.00 O ATOM 825 CB GLU A 53 12.373 26.158 34.951 1.00 0.00 C ATOM 826 CG GLU A 53 11.820 24.726 35.018 1.00 0.00 C ATOM 827 CD GLU A 53 10.444 24.647 35.703 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.702 23.675 35.415 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.087 25.515 36.536 1.00 0.00 O1- ATOM 0 H GLU A 53 12.286 25.707 32.496 1.00 0.00 H new ATOM 0 HA GLU A 53 13.923 27.381 34.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.652 26.470 35.958 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.575 26.823 34.620 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.741 24.325 34.008 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.526 24.094 35.557 1.00 0.00 H new ATOM 836 N GLN A 54 15.167 24.490 33.613 1.00 0.00 N ATOM 837 CA GLN A 54 16.402 23.709 33.737 1.00 0.00 C ATOM 838 C GLN A 54 17.694 24.479 33.378 1.00 0.00 C ATOM 839 O GLN A 54 18.785 23.940 33.591 1.00 0.00 O ATOM 840 CB GLN A 54 16.270 22.408 32.923 1.00 0.00 C ATOM 841 CG GLN A 54 15.323 21.385 33.580 1.00 0.00 C ATOM 842 CD GLN A 54 13.831 21.685 33.473 1.00 0.00 C ATOM 843 OE1 GLN A 54 13.358 22.393 32.592 1.00 0.00 O ATOM 844 NE2 GLN A 54 13.022 21.136 34.349 1.00 0.00 N ATOM 0 H GLN A 54 14.583 24.188 32.833 1.00 0.00 H new ATOM 0 HA GLN A 54 16.518 23.476 34.796 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.904 22.646 31.924 1.00 0.00 H new ATOM 0 HB3 GLN A 54 17.256 21.959 32.803 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.509 20.409 33.133 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.582 21.307 34.636 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.398 20.544 35.089 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.017 21.302 34.289 1.00 0.00 H new ATOM 853 N ALA A 55 17.637 25.722 32.886 1.00 0.00 N ATOM 854 CA ALA A 55 18.832 26.566 32.740 1.00 0.00 C ATOM 855 C ALA A 55 19.383 27.031 34.109 1.00 0.00 C ATOM 856 O ALA A 55 18.608 27.311 35.028 1.00 0.00 O ATOM 857 CB ALA A 55 18.512 27.752 31.821 1.00 0.00 C ATOM 0 H ALA A 55 16.772 26.169 32.581 1.00 0.00 H new ATOM 0 HA ALA A 55 19.623 25.972 32.282 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.398 28.378 31.713 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.207 27.382 30.842 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.703 28.340 32.254 1.00 0.00 H new ATOM 863 N VAL A 56 20.714 27.114 34.242 1.00 0.00 N ATOM 864 CA VAL A 56 21.441 27.632 35.420 1.00 0.00 C ATOM 865 C VAL A 56 22.855 28.099 35.020 1.00 0.00 C ATOM 866 O VAL A 56 23.431 27.541 34.081 1.00 0.00 O ATOM 867 CB VAL A 56 21.443 26.580 36.550 1.00 0.00 C ATOM 868 CG1 VAL A 56 22.371 25.395 36.279 1.00 0.00 C ATOM 869 CG2 VAL A 56 21.809 27.200 37.900 1.00 0.00 C ATOM 0 H VAL A 56 21.346 26.810 33.501 1.00 0.00 H new ATOM 0 HA VAL A 56 20.927 28.510 35.811 1.00 0.00 H new ATOM 0 HB VAL A 56 20.421 26.203 36.582 1.00 0.00 H new ATOM 0 HG11 VAL A 56 22.322 24.696 37.114 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.059 24.890 35.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 23.394 25.753 36.165 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.800 26.428 38.669 1.00 0.00 H new ATOM 0 HG22 VAL A 56 22.804 27.641 37.840 1.00 0.00 H new ATOM 0 HG23 VAL A 56 21.084 27.974 38.153 1.00 0.00 H new ATOM 879 N VAL A 57 23.414 29.115 35.698 1.00 0.00 N ATOM 880 CA VAL A 57 24.660 29.815 35.295 1.00 0.00 C ATOM 881 C VAL A 57 25.766 29.843 36.368 1.00 0.00 C ATOM 882 O VAL A 57 26.945 29.708 36.031 1.00 0.00 O ATOM 883 CB VAL A 57 24.309 31.238 34.789 1.00 0.00 C ATOM 884 CG1 VAL A 57 25.533 32.154 34.654 1.00 0.00 C ATOM 885 CG2 VAL A 57 23.606 31.156 33.427 1.00 0.00 C ATOM 0 H VAL A 57 23.010 29.485 36.559 1.00 0.00 H new ATOM 0 HA VAL A 57 25.098 29.230 34.487 1.00 0.00 H new ATOM 0 HB VAL A 57 23.652 31.673 35.542 1.00 0.00 H new ATOM 0 HG11 VAL A 57 25.217 33.134 34.296 1.00 0.00 H new ATOM 0 HG12 VAL A 57 26.016 32.261 35.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.237 31.718 33.945 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.364 32.161 33.081 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.265 30.673 32.706 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.689 30.576 33.525 1.00 0.00 H new ATOM 895 N TRP A 58 25.441 30.015 37.654 1.00 0.00 N ATOM 896 CA TRP A 58 26.456 30.106 38.728 1.00 0.00 C ATOM 897 C TRP A 58 27.319 28.848 39.024 1.00 0.00 C ATOM 898 O TRP A 58 28.452 29.042 39.473 1.00 0.00 O ATOM 899 CB TRP A 58 25.798 30.603 40.022 1.00 0.00 C ATOM 900 CG TRP A 58 24.920 31.803 39.860 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.305 32.995 39.349 1.00 0.00 C ATOM 902 CD2 TRP A 58 23.491 31.929 40.133 1.00 0.00 C ATOM 903 NE1 TRP A 58 24.219 33.841 39.267 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.073 33.229 39.724 1.00 0.00 C ATOM 905 CE3 TRP A 58 22.500 31.069 40.658 1.00 0.00 C ATOM 906 CZ2 TRP A 58 21.742 33.650 39.817 1.00 0.00 C ATOM 907 CZ3 TRP A 58 21.161 31.489 40.771 1.00 0.00 C ATOM 908 CH2 TRP A 58 20.781 32.777 40.354 1.00 0.00 C ATOM 0 H TRP A 58 24.480 30.095 37.985 1.00 0.00 H new ATOM 0 HA TRP A 58 27.181 30.815 38.328 1.00 0.00 H new ATOM 0 HB2 TRP A 58 25.206 29.792 40.446 1.00 0.00 H new ATOM 0 HB3 TRP A 58 26.580 30.838 40.744 1.00 0.00 H new ATOM 0 HD1 TRP A 58 26.312 33.246 39.050 1.00 0.00 H new ATOM 0 HE1 TRP A 58 24.259 34.797 38.913 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.774 30.074 40.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.456 34.635 39.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.421 30.818 41.181 1.00 0.00 H new ATOM 0 HH2 TRP A 58 19.753 33.094 40.446 1.00 0.00 H new ATOM 919 N PRO A 59 26.878 27.587 38.795 1.00 0.00 N ATOM 920 CA PRO A 59 27.622 26.359 39.146 1.00 0.00 C ATOM 921 C PRO A 59 28.972 26.081 38.450 1.00 0.00 C ATOM 922 O PRO A 59 29.458 24.951 38.523 1.00 0.00 O ATOM 923 CB PRO A 59 26.646 25.199 38.902 1.00 0.00 C ATOM 924 CG PRO A 59 25.282 25.832 39.120 1.00 0.00 C ATOM 925 CD PRO A 59 25.494 27.214 38.514 1.00 0.00 C ATOM 0 HA PRO A 59 27.945 26.487 40.179 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.745 24.796 37.894 1.00 0.00 H new ATOM 0 HB3 PRO A 59 26.821 24.375 39.593 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.488 25.280 38.617 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.016 25.882 40.176 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.308 27.199 37.440 1.00 0.00 H new ATOM 0 HD3 PRO A 59 24.803 27.937 38.947 1.00 0.00 H new ATOM 933 N LEU A 60 29.588 27.060 37.780 1.00 0.00 N ATOM 934 CA LEU A 60 30.908 26.940 37.146 1.00 0.00 C ATOM 935 C LEU A 60 32.014 27.493 38.072 1.00 0.00 C ATOM 936 O LEU A 60 32.231 28.708 38.083 1.00 0.00 O ATOM 937 CB LEU A 60 30.918 27.696 35.796 1.00 0.00 C ATOM 938 CG LEU A 60 30.293 26.983 34.579 1.00 0.00 C ATOM 939 CD1 LEU A 60 31.094 25.752 34.157 1.00 0.00 C ATOM 940 CD2 LEU A 60 28.833 26.578 34.775 1.00 0.00 C ATOM 0 H LEU A 60 29.172 27.984 37.659 1.00 0.00 H new ATOM 0 HA LEU A 60 31.108 25.884 36.966 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.397 28.643 35.936 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.953 27.935 35.551 1.00 0.00 H new ATOM 0 HG LEU A 60 30.325 27.733 33.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 30.615 25.284 33.297 1.00 0.00 H new ATOM 0 HD12 LEU A 60 32.107 26.051 33.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 31.131 25.042 34.983 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.469 26.083 33.875 1.00 0.00 H new ATOM 0 HD22 LEU A 60 28.755 25.895 35.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 28.232 27.466 34.969 1.00 0.00 H new ATOM 952 N PRO A 61 32.778 26.655 38.804 1.00 0.00 N ATOM 953 CA PRO A 61 33.999 27.086 39.503 1.00 0.00 C ATOM 954 C PRO A 61 35.170 27.368 38.536 1.00 0.00 C ATOM 955 O PRO A 61 36.258 27.749 38.964 1.00 0.00 O ATOM 956 CB PRO A 61 34.339 25.921 40.439 1.00 0.00 C ATOM 957 CG PRO A 61 33.828 24.700 39.678 1.00 0.00 C ATOM 958 CD PRO A 61 32.557 25.229 39.020 1.00 0.00 C ATOM 0 HA PRO A 61 33.837 28.025 40.032 1.00 0.00 H new ATOM 0 HB2 PRO A 61 35.410 25.857 40.629 1.00 0.00 H new ATOM 0 HB3 PRO A 61 33.849 26.026 41.407 1.00 0.00 H new ATOM 0 HG2 PRO A 61 34.551 24.349 38.941 1.00 0.00 H new ATOM 0 HG3 PRO A 61 33.621 23.863 40.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 32.364 24.717 38.077 1.00 0.00 H new ATOM 0 HD3 PRO A 61 31.689 25.061 39.657 1.00 0.00 H new ATOM 966 N ASN A 62 34.965 27.140 37.237 1.00 0.00 N ATOM 967 CA ASN A 62 35.987 27.117 36.197 1.00 0.00 C ATOM 968 C ASN A 62 36.754 28.438 35.998 1.00 0.00 C ATOM 969 O ASN A 62 37.952 28.472 36.289 1.00 0.00 O ATOM 970 CB ASN A 62 35.358 26.585 34.894 1.00 0.00 C ATOM 971 CG ASN A 62 34.825 25.165 35.030 1.00 0.00 C ATOM 972 OD1 ASN A 62 33.903 24.894 35.792 1.00 0.00 O ATOM 973 ND2 ASN A 62 35.359 24.222 34.293 1.00 0.00 N ATOM 0 H ASN A 62 34.032 26.957 36.867 1.00 0.00 H new ATOM 0 HA ASN A 62 36.772 26.439 36.532 1.00 0.00 H new ATOM 0 HB2 ASN A 62 34.545 27.246 34.593 1.00 0.00 H new ATOM 0 HB3 ASN A 62 36.103 26.613 34.099 1.00 0.00 H new ATOM 0 HD21 ASN A 62 35.008 23.266 34.354 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.126 24.444 33.658 1.00 0.00 H new ATOM 980 N LYS A 63 36.131 29.515 35.489 1.00 0.00 N ATOM 981 CA LYS A 63 36.869 30.726 35.055 1.00 0.00 C ATOM 982 C LYS A 63 36.120 32.053 35.249 1.00 0.00 C ATOM 983 O LYS A 63 34.977 32.175 34.807 1.00 0.00 O ATOM 984 CB LYS A 63 37.295 30.535 33.596 1.00 0.00 C ATOM 985 CG LYS A 63 38.426 31.515 33.267 1.00 0.00 C ATOM 986 CD LYS A 63 38.921 31.343 31.839 1.00 0.00 C ATOM 987 CE LYS A 63 39.690 30.048 31.551 1.00 0.00 C ATOM 988 NZ LYS A 63 40.926 29.938 32.355 1.00 0.00 N1+ ATOM 0 H LYS A 63 35.120 29.577 35.366 1.00 0.00 H new ATOM 0 HA LYS A 63 37.736 30.821 35.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 37.628 29.510 33.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 36.447 30.704 32.932 1.00 0.00 H new ATOM 0 HG2 LYS A 63 38.075 32.537 33.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 39.253 31.362 33.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 38.063 31.390 31.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 39.564 32.188 31.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 39.047 29.193 31.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 39.944 30.007 30.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 41.471 29.109 32.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 41.499 30.797 32.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 40.678 29.831 33.359 1.00 0.00 H new ATOM 1002 N ARG A 64 36.799 33.056 35.827 1.00 0.00 N ATOM 1003 CA ARG A 64 36.381 34.475 35.940 1.00 0.00 C ATOM 1004 C ARG A 64 37.019 35.343 34.841 1.00 0.00 C ATOM 1005 O ARG A 64 38.126 35.061 34.378 1.00 0.00 O ATOM 1006 CB ARG A 64 36.773 35.026 37.330 1.00 0.00 C ATOM 1007 CG ARG A 64 35.815 34.755 38.506 1.00 0.00 C ATOM 1008 CD ARG A 64 35.457 33.287 38.784 1.00 0.00 C ATOM 1009 NE ARG A 64 34.339 32.838 37.939 1.00 0.00 N ATOM 1010 CZ ARG A 64 33.666 31.710 38.022 1.00 0.00 C ATOM 1011 NH1 ARG A 64 33.881 30.807 38.928 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 32.723 31.469 37.168 1.00 0.00 N ATOM 0 H ARG A 64 37.710 32.896 36.256 1.00 0.00 H new ATOM 0 HA ARG A 64 35.299 34.516 35.816 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.748 34.615 37.591 1.00 0.00 H new ATOM 0 HB3 ARG A 64 36.896 36.105 37.240 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.259 35.173 39.409 1.00 0.00 H new ATOM 0 HG3 ARG A 64 34.890 35.302 38.323 1.00 0.00 H new ATOM 0 HD2 ARG A 64 36.328 32.658 38.602 1.00 0.00 H new ATOM 0 HD3 ARG A 64 35.192 33.168 39.835 1.00 0.00 H new ATOM 0 HE ARG A 64 34.051 33.479 37.199 1.00 0.00 H new ATOM 0 HH11 ARG A 64 34.607 30.951 39.630 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.324 29.952 38.939 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.508 32.150 36.440 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.195 30.598 37.223 1.00 0.00 H new ATOM 1026 N CYS A 65 36.338 36.411 34.425 1.00 0.00 N ATOM 1027 CA CYS A 65 36.819 37.345 33.398 1.00 0.00 C ATOM 1028 C CYS A 65 37.927 38.293 33.897 1.00 0.00 C ATOM 1029 O CYS A 65 37.700 39.091 34.813 1.00 0.00 O ATOM 1030 CB CYS A 65 35.634 38.174 32.883 1.00 0.00 C ATOM 1031 SG CYS A 65 36.043 39.356 31.565 1.00 0.00 S ATOM 0 H CYS A 65 35.421 36.658 34.796 1.00 0.00 H new ATOM 0 HA CYS A 65 37.259 36.744 32.602 1.00 0.00 H new ATOM 0 HB2 CYS A 65 34.866 37.494 32.515 1.00 0.00 H new ATOM 0 HB3 CYS A 65 35.201 38.721 33.720 1.00 0.00 H new ATOM 1036 N LYS A 66 39.096 38.293 33.238 1.00 0.00 N ATOM 1037 CA LYS A 66 40.142 39.304 33.478 1.00 0.00 C ATOM 1038 C LYS A 66 39.645 40.689 33.043 1.00 0.00 C ATOM 1039 O LYS A 66 39.159 40.869 31.926 1.00 0.00 O ATOM 1040 CB LYS A 66 41.446 38.893 32.769 1.00 0.00 C ATOM 1041 CG LYS A 66 42.584 39.914 32.960 1.00 0.00 C ATOM 1042 CD LYS A 66 43.908 39.441 32.341 1.00 0.00 C ATOM 1043 CE LYS A 66 44.607 38.402 33.226 1.00 0.00 C ATOM 1044 NZ LYS A 66 45.802 37.833 32.564 1.00 0.00 N1+ ATOM 0 H LYS A 66 39.343 37.601 32.531 1.00 0.00 H new ATOM 0 HA LYS A 66 40.361 39.363 34.544 1.00 0.00 H new ATOM 0 HB2 LYS A 66 41.768 37.923 33.148 1.00 0.00 H new ATOM 0 HB3 LYS A 66 41.251 38.770 31.704 1.00 0.00 H new ATOM 0 HG2 LYS A 66 42.295 40.864 32.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 42.729 40.097 34.025 1.00 0.00 H new ATOM 0 HD2 LYS A 66 43.717 39.012 31.357 1.00 0.00 H new ATOM 0 HD3 LYS A 66 44.567 40.296 32.194 1.00 0.00 H new ATOM 0 HE2 LYS A 66 44.899 38.865 34.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 43.909 37.601 33.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 46.248 37.135 33.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 45.520 37.370 31.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 46.480 38.594 32.357 1.00 0.00 H new HETATM 1058 N NH2 A 67 39.764 41.683 33.903 1.00 0.00 N TER 1061 NH2 A 67