USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 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 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc=-0.00106 X(o=-0.0011,f=0.26) USER MOD Single : A 1 LYS N :NH3+ -161:sc= 1.18 (180deg=0.925) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 10 THR OG1 : rot -116:sc= 0.386 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 120:sc= 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= 0.51 K(o=0.51,f=-2.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -11:sc= 1.07 USER MOD Single : A 34 TYR OH : rot -82:sc= 0.231 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.63) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 23:sc= 0.155 USER MOD Single : A 54 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.6!) USER MOD Single : A 62 ASN : amide:sc= 1.17 K(o=1.2,f=-0.35) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.802 31.150 32.265 1.00 0.00 N ATOM 2 CA LYS A 1 13.953 31.931 32.757 1.00 0.00 C ATOM 3 C LYS A 1 14.706 32.568 31.585 1.00 0.00 C ATOM 4 O LYS A 1 14.929 31.918 30.567 1.00 0.00 O ATOM 5 CB LYS A 1 14.853 31.028 33.627 1.00 0.00 C ATOM 6 CG LYS A 1 15.847 31.804 34.508 1.00 0.00 C ATOM 7 CD LYS A 1 16.625 30.848 35.432 1.00 0.00 C ATOM 8 CE LYS A 1 17.487 31.632 36.432 1.00 0.00 C ATOM 9 NZ LYS A 1 18.167 30.736 37.397 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 12.129 30.997 33.043 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.332 31.671 31.497 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.133 30.231 31.908 1.00 0.00 H new ATOM 0 HA LYS A 1 13.607 32.752 33.385 1.00 0.00 H new ATOM 0 HB2 LYS A 1 14.222 30.410 34.266 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.409 30.352 32.978 1.00 0.00 H new ATOM 0 HG2 LYS A 1 16.545 32.355 33.877 1.00 0.00 H new ATOM 0 HG3 LYS A 1 15.310 32.539 35.108 1.00 0.00 H new ATOM 0 HD2 LYS A 1 15.926 30.209 35.971 1.00 0.00 H new ATOM 0 HD3 LYS A 1 17.259 30.194 34.834 1.00 0.00 H new ATOM 0 HE2 LYS A 1 18.232 32.215 35.890 1.00 0.00 H new ATOM 0 HE3 LYS A 1 16.861 32.341 36.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 18.739 31.304 38.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.456 30.198 37.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 18.785 30.076 36.882 1.00 0.00 H new ATOM 25 N GLU A 2 15.091 33.838 31.694 1.00 0.00 N ATOM 26 CA GLU A 2 16.013 34.521 30.760 1.00 0.00 C ATOM 27 C GLU A 2 17.452 34.519 31.325 1.00 0.00 C ATOM 28 O GLU A 2 17.626 34.497 32.547 1.00 0.00 O ATOM 29 CB GLU A 2 15.540 35.964 30.503 1.00 0.00 C ATOM 30 CG GLU A 2 14.522 36.113 29.364 1.00 0.00 C ATOM 31 CD GLU A 2 13.202 35.366 29.582 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.496 35.639 30.580 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.804 34.532 28.730 1.00 0.00 O1- ATOM 0 H GLU A 2 14.768 34.444 32.449 1.00 0.00 H new ATOM 0 HA GLU A 2 16.012 33.980 29.814 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.099 36.356 31.420 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.409 36.582 30.278 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.305 37.172 29.225 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.977 35.757 28.440 1.00 0.00 H new ATOM 40 N GLY A 3 18.490 34.551 30.475 1.00 0.00 N ATOM 41 CA GLY A 3 19.882 34.469 30.952 1.00 0.00 C ATOM 42 C GLY A 3 20.991 34.905 29.982 1.00 0.00 C ATOM 43 O GLY A 3 20.844 34.835 28.764 1.00 0.00 O ATOM 0 H GLY A 3 18.395 34.632 29.463 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.965 35.077 31.853 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.077 33.437 31.244 1.00 0.00 H new ATOM 47 N TYR A 4 22.120 35.343 30.549 1.00 0.00 N ATOM 48 CA TYR A 4 23.353 35.715 29.838 1.00 0.00 C ATOM 49 C TYR A 4 24.140 34.451 29.436 1.00 0.00 C ATOM 50 O TYR A 4 24.434 33.618 30.293 1.00 0.00 O ATOM 51 CB TYR A 4 24.166 36.632 30.780 1.00 0.00 C ATOM 52 CG TYR A 4 25.304 37.450 30.183 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.365 36.837 29.497 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.337 38.849 30.378 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.436 37.602 28.998 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.404 39.622 29.879 1.00 0.00 C ATOM 57 CZ TYR A 4 27.463 39.000 29.183 1.00 0.00 C ATOM 58 OH TYR A 4 28.502 39.730 28.700 1.00 0.00 O ATOM 0 H TYR A 4 22.206 35.454 31.559 1.00 0.00 H new ATOM 0 HA TYR A 4 23.133 36.248 28.913 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.470 37.325 31.252 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.583 36.010 31.572 1.00 0.00 H new ATOM 0 HD1 TYR A 4 26.359 35.767 29.351 1.00 0.00 H new ATOM 0 HD2 TYR A 4 24.535 39.332 30.916 1.00 0.00 H new ATOM 0 HE1 TYR A 4 28.243 37.115 28.470 1.00 0.00 H new ATOM 0 HE2 TYR A 4 26.412 40.691 30.029 1.00 0.00 H new ATOM 0 HH TYR A 4 28.364 40.677 28.913 1.00 0.00 H new ATOM 68 N LEU A 5 24.524 34.314 28.161 1.00 0.00 N ATOM 69 CA LEU A 5 25.198 33.110 27.644 1.00 0.00 C ATOM 70 C LEU A 5 26.657 32.936 28.132 1.00 0.00 C ATOM 71 O LEU A 5 27.453 33.878 28.092 1.00 0.00 O ATOM 72 CB LEU A 5 25.105 33.123 26.105 1.00 0.00 C ATOM 73 CG LEU A 5 25.696 31.880 25.413 1.00 0.00 C ATOM 74 CD1 LEU A 5 24.936 30.607 25.787 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.632 32.044 23.896 1.00 0.00 C ATOM 0 H LEU A 5 24.377 35.035 27.455 1.00 0.00 H new ATOM 0 HA LEU A 5 24.680 32.240 28.049 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.057 33.218 25.819 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.619 34.009 25.731 1.00 0.00 H new ATOM 0 HG LEU A 5 26.729 31.788 25.748 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.384 29.753 25.278 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.988 30.456 26.865 1.00 0.00 H new ATOM 0 HD13 LEU A 5 23.893 30.704 25.484 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.052 31.160 23.416 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.594 32.166 23.587 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.204 32.924 23.601 1.00 0.00 H new ATOM 87 N VAL A 6 27.029 31.700 28.497 1.00 0.00 N ATOM 88 CA VAL A 6 28.369 31.298 28.977 1.00 0.00 C ATOM 89 C VAL A 6 28.790 29.923 28.424 1.00 0.00 C ATOM 90 O VAL A 6 27.961 29.197 27.878 1.00 0.00 O ATOM 91 CB VAL A 6 28.394 31.340 30.524 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.748 30.116 31.190 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.813 31.521 31.075 1.00 0.00 C ATOM 0 H VAL A 6 26.378 30.915 28.466 1.00 0.00 H new ATOM 0 HA VAL A 6 29.106 32.007 28.599 1.00 0.00 H new ATOM 0 HB VAL A 6 27.791 32.211 30.779 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.805 30.219 32.274 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.704 30.045 30.886 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.277 29.214 30.883 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.780 31.545 32.164 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.439 30.690 30.749 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.231 32.457 30.704 1.00 0.00 H new ATOM 103 N ASP A 7 30.068 29.558 28.557 1.00 0.00 N ATOM 104 CA ASP A 7 30.598 28.209 28.306 1.00 0.00 C ATOM 105 C ASP A 7 30.720 27.462 29.645 1.00 0.00 C ATOM 106 O ASP A 7 31.181 28.035 30.633 1.00 0.00 O ATOM 107 CB ASP A 7 31.940 28.322 27.548 1.00 0.00 C ATOM 108 CG ASP A 7 32.563 26.996 27.088 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.486 27.038 26.237 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.157 25.909 27.556 1.00 0.00 O1- ATOM 0 H ASP A 7 30.790 30.215 28.853 1.00 0.00 H new ATOM 0 HA ASP A 7 29.924 27.630 27.674 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.789 28.953 26.672 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.656 28.834 28.190 1.00 0.00 H new ATOM 115 N TYR A 8 30.344 26.180 29.706 1.00 0.00 N ATOM 116 CA TYR A 8 30.518 25.392 30.934 1.00 0.00 C ATOM 117 C TYR A 8 31.999 25.158 31.276 1.00 0.00 C ATOM 118 O TYR A 8 32.330 24.888 32.432 1.00 0.00 O ATOM 119 CB TYR A 8 29.738 24.070 30.852 1.00 0.00 C ATOM 120 CG TYR A 8 30.249 23.046 29.851 1.00 0.00 C ATOM 121 CD1 TYR A 8 29.640 22.941 28.587 1.00 0.00 C ATOM 122 CD2 TYR A 8 31.296 22.167 30.197 1.00 0.00 C ATOM 123 CE1 TYR A 8 30.061 21.954 27.674 1.00 0.00 C ATOM 124 CE2 TYR A 8 31.726 21.183 29.283 1.00 0.00 C ATOM 125 CZ TYR A 8 31.099 21.063 28.025 1.00 0.00 C ATOM 126 OH TYR A 8 31.464 20.049 27.190 1.00 0.00 O ATOM 0 H TYR A 8 29.922 25.670 28.930 1.00 0.00 H new ATOM 0 HA TYR A 8 30.103 25.978 31.754 1.00 0.00 H new ATOM 0 HB2 TYR A 8 29.738 23.611 31.841 1.00 0.00 H new ATOM 0 HB3 TYR A 8 28.701 24.300 30.607 1.00 0.00 H new ATOM 0 HD1 TYR A 8 28.846 23.620 28.315 1.00 0.00 H new ATOM 0 HD2 TYR A 8 31.770 22.248 31.164 1.00 0.00 H new ATOM 0 HE1 TYR A 8 29.590 21.879 26.705 1.00 0.00 H new ATOM 0 HE2 TYR A 8 32.537 20.520 29.547 1.00 0.00 H new ATOM 0 HH TYR A 8 32.196 19.539 27.596 1.00 0.00 H new ATOM 136 N HIS A 9 32.904 25.249 30.294 1.00 0.00 N ATOM 137 CA HIS A 9 34.344 25.064 30.484 1.00 0.00 C ATOM 138 C HIS A 9 35.058 26.301 31.052 1.00 0.00 C ATOM 139 O HIS A 9 36.059 26.148 31.754 1.00 0.00 O ATOM 140 CB HIS A 9 34.966 24.625 29.151 1.00 0.00 C ATOM 141 CG HIS A 9 36.395 24.163 29.290 1.00 0.00 C ATOM 142 ND1 HIS A 9 36.806 23.056 30.040 1.00 0.00 N ATOM 143 CD2 HIS A 9 37.486 24.725 28.694 1.00 0.00 C ATOM 144 CE1 HIS A 9 38.137 22.977 29.866 1.00 0.00 C ATOM 145 NE2 HIS A 9 38.571 23.963 29.070 1.00 0.00 N ATOM 0 H HIS A 9 32.649 25.457 29.328 1.00 0.00 H new ATOM 0 HA HIS A 9 34.481 24.289 31.239 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.369 23.818 28.726 1.00 0.00 H new ATOM 0 HB3 HIS A 9 34.926 25.456 28.447 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.497 25.595 28.054 1.00 0.00 H new ATOM 0 HE1 HIS A 9 38.770 22.222 30.308 1.00 0.00 H new ATOM 0 HE2 HIS A 9 39.539 24.123 28.790 1.00 0.00 H new ATOM 153 N THR A 10 34.574 27.519 30.773 1.00 0.00 N ATOM 154 CA THR A 10 35.262 28.771 31.145 1.00 0.00 C ATOM 155 C THR A 10 34.322 29.981 31.179 1.00 0.00 C ATOM 156 O THR A 10 33.464 30.148 30.316 1.00 0.00 O ATOM 157 CB THR A 10 36.453 29.034 30.205 1.00 0.00 C ATOM 158 OG1 THR A 10 37.242 30.076 30.721 1.00 0.00 O ATOM 159 CG2 THR A 10 36.076 29.411 28.769 1.00 0.00 C ATOM 0 H THR A 10 33.693 27.668 30.282 1.00 0.00 H new ATOM 0 HA THR A 10 35.632 28.635 32.161 1.00 0.00 H new ATOM 0 HB THR A 10 36.986 28.084 30.158 1.00 0.00 H new ATOM 0 HG1 THR A 10 37.230 30.834 30.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 36.982 29.576 28.186 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.498 28.603 28.320 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.479 30.323 28.777 1.00 0.00 H new ATOM 167 N GLY A 11 34.499 30.868 32.161 1.00 0.00 N ATOM 168 CA GLY A 11 33.617 32.025 32.397 1.00 0.00 C ATOM 169 C GLY A 11 33.731 33.205 31.413 1.00 0.00 C ATOM 170 O GLY A 11 33.281 34.304 31.751 1.00 0.00 O ATOM 0 H GLY A 11 35.269 30.806 32.827 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.586 31.672 32.385 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.813 32.401 33.401 1.00 0.00 H new ATOM 174 N CYS A 12 34.350 33.027 30.237 1.00 0.00 N ATOM 175 CA CYS A 12 34.480 34.091 29.233 1.00 0.00 C ATOM 176 C CYS A 12 33.145 34.410 28.536 1.00 0.00 C ATOM 177 O CYS A 12 32.427 33.522 28.068 1.00 0.00 O ATOM 178 CB CYS A 12 35.575 33.766 28.207 1.00 0.00 C ATOM 179 SG CYS A 12 37.185 34.486 28.611 1.00 0.00 S ATOM 0 H CYS A 12 34.774 32.143 29.956 1.00 0.00 H new ATOM 0 HA CYS A 12 34.779 34.990 29.772 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.680 32.684 28.131 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.261 34.126 27.227 1.00 0.00 H new ATOM 184 N LYS A 13 32.828 35.706 28.431 1.00 0.00 N ATOM 185 CA LYS A 13 31.537 36.219 27.958 1.00 0.00 C ATOM 186 C LYS A 13 31.333 36.138 26.436 1.00 0.00 C ATOM 187 O LYS A 13 32.238 36.444 25.652 1.00 0.00 O ATOM 188 CB LYS A 13 31.335 37.633 28.523 1.00 0.00 C ATOM 189 CG LYS A 13 32.334 38.692 28.016 1.00 0.00 C ATOM 190 CD LYS A 13 32.742 39.686 29.113 1.00 0.00 C ATOM 191 CE LYS A 13 33.795 39.074 30.045 1.00 0.00 C ATOM 192 NZ LYS A 13 33.925 39.830 31.311 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.482 36.448 28.680 1.00 0.00 H new ATOM 0 HA LYS A 13 30.756 35.561 28.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.325 37.963 28.279 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.401 37.585 29.610 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.224 38.193 27.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 31.890 39.237 27.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.138 40.594 28.657 1.00 0.00 H new ATOM 0 HD3 LYS A 13 31.864 39.976 29.691 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.526 38.041 30.266 1.00 0.00 H new ATOM 0 HE3 LYS A 13 34.759 39.051 29.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 34.647 39.382 31.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.207 40.809 31.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.013 39.831 31.810 1.00 0.00 H new ATOM 206 N TYR A 14 30.124 35.756 26.013 1.00 0.00 N ATOM 207 CA TYR A 14 29.703 35.734 24.605 1.00 0.00 C ATOM 208 C TYR A 14 29.285 37.134 24.130 1.00 0.00 C ATOM 209 O TYR A 14 28.102 37.480 24.105 1.00 0.00 O ATOM 210 CB TYR A 14 28.616 34.670 24.387 1.00 0.00 C ATOM 211 CG TYR A 14 29.177 33.259 24.313 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.428 32.666 23.060 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.498 32.558 25.493 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.000 31.378 22.980 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.072 31.277 25.415 1.00 0.00 C ATOM 216 CZ TYR A 14 30.326 30.683 24.162 1.00 0.00 C ATOM 217 OH TYR A 14 30.858 29.435 24.122 1.00 0.00 O ATOM 0 H TYR A 14 29.393 35.446 26.653 1.00 0.00 H new ATOM 0 HA TYR A 14 30.552 35.448 23.984 1.00 0.00 H new ATOM 0 HB2 TYR A 14 27.892 34.726 25.200 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.078 34.891 23.465 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.181 33.200 22.155 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.303 33.005 26.457 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.187 30.927 22.017 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.320 30.744 26.321 1.00 0.00 H new ATOM 0 HH TYR A 14 31.737 29.440 24.555 1.00 0.00 H new ATOM 227 N THR A 15 30.276 37.946 23.753 1.00 0.00 N ATOM 228 CA THR A 15 30.068 39.229 23.061 1.00 0.00 C ATOM 229 C THR A 15 29.573 39.021 21.626 1.00 0.00 C ATOM 230 O THR A 15 29.880 38.005 20.995 1.00 0.00 O ATOM 231 CB THR A 15 31.359 40.070 23.034 1.00 0.00 C ATOM 232 OG1 THR A 15 32.443 39.374 22.443 1.00 0.00 O ATOM 233 CG2 THR A 15 31.798 40.466 24.440 1.00 0.00 C ATOM 0 H THR A 15 31.259 37.732 23.920 1.00 0.00 H new ATOM 0 HA THR A 15 29.305 39.766 23.624 1.00 0.00 H new ATOM 0 HB THR A 15 31.115 40.952 22.441 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.239 39.945 22.446 1.00 0.00 H new ATOM 0 HG21 THR A 15 32.711 41.058 24.383 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.013 41.055 24.914 1.00 0.00 H new ATOM 0 HG23 THR A 15 31.984 39.568 25.030 1.00 0.00 H new ATOM 241 N CYS A 16 28.847 40.016 21.111 1.00 0.00 N ATOM 242 CA CYS A 16 28.456 40.161 19.713 1.00 0.00 C ATOM 243 C CYS A 16 29.190 41.357 19.087 1.00 0.00 C ATOM 244 O CYS A 16 29.430 42.370 19.752 1.00 0.00 O ATOM 245 CB CYS A 16 26.951 40.412 19.605 1.00 0.00 C ATOM 246 SG CYS A 16 25.838 39.140 20.242 1.00 0.00 S ATOM 0 H CYS A 16 28.500 40.780 21.691 1.00 0.00 H new ATOM 0 HA CYS A 16 28.716 39.241 19.189 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.728 41.343 20.126 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.712 40.570 18.553 1.00 0.00 H new ATOM 251 N ALA A 17 29.501 41.285 17.796 1.00 0.00 N ATOM 252 CA ALA A 17 30.157 42.368 17.069 1.00 0.00 C ATOM 253 C ALA A 17 29.238 43.588 16.848 1.00 0.00 C ATOM 254 O ALA A 17 29.670 44.724 17.045 1.00 0.00 O ATOM 255 CB ALA A 17 30.667 41.788 15.749 1.00 0.00 C ATOM 0 H ALA A 17 29.303 40.467 17.220 1.00 0.00 H new ATOM 0 HA ALA A 17 30.986 42.753 17.662 1.00 0.00 H new ATOM 0 HB1 ALA A 17 31.165 42.570 15.176 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.373 40.983 15.954 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.827 41.397 15.175 1.00 0.00 H new ATOM 261 N LYS A 18 27.971 43.361 16.471 1.00 0.00 N ATOM 262 CA LYS A 18 26.982 44.391 16.094 1.00 0.00 C ATOM 263 C LYS A 18 25.579 44.043 16.613 1.00 0.00 C ATOM 264 O LYS A 18 25.261 42.862 16.770 1.00 0.00 O ATOM 265 CB LYS A 18 26.970 44.570 14.561 1.00 0.00 C ATOM 266 CG LYS A 18 28.326 45.024 13.988 1.00 0.00 C ATOM 267 CD LYS A 18 28.232 45.353 12.494 1.00 0.00 C ATOM 268 CE LYS A 18 29.586 45.840 11.965 1.00 0.00 C ATOM 269 NZ LYS A 18 29.515 46.160 10.520 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.588 42.417 16.417 1.00 0.00 H new ATOM 0 HA LYS A 18 27.275 45.332 16.560 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.684 43.627 14.095 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.208 45.302 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.675 45.902 14.532 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.066 44.239 14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.915 44.469 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.474 46.120 12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 29.899 46.724 12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.342 45.073 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 30.446 46.487 10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 29.239 45.309 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.810 46.909 10.364 1.00 0.00 H new ATOM 283 N LEU A 19 24.746 45.056 16.872 1.00 0.00 N ATOM 284 CA LEU A 19 23.336 44.870 17.263 1.00 0.00 C ATOM 285 C LEU A 19 22.495 44.366 16.080 1.00 0.00 C ATOM 286 O LEU A 19 22.872 44.542 14.921 1.00 0.00 O ATOM 287 CB LEU A 19 22.750 46.178 17.842 1.00 0.00 C ATOM 288 CG LEU A 19 23.489 46.733 19.072 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.840 48.022 19.574 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.520 45.753 20.244 1.00 0.00 C ATOM 0 H LEU A 19 25.028 46.035 16.817 1.00 0.00 H new ATOM 0 HA LEU A 19 23.301 44.109 18.043 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.755 46.938 17.060 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.708 46.004 18.111 1.00 0.00 H new ATOM 0 HG LEU A 19 24.508 46.916 18.731 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.385 48.389 20.444 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.866 48.774 18.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.805 47.824 19.852 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.055 46.203 21.080 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.500 45.519 20.549 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.027 44.837 19.939 1.00 0.00 H new ATOM 302 N GLY A 20 21.360 43.727 16.360 1.00 0.00 N ATOM 303 CA GLY A 20 20.460 43.116 15.368 1.00 0.00 C ATOM 304 C GLY A 20 20.988 41.823 14.724 1.00 0.00 C ATOM 305 O GLY A 20 20.212 40.925 14.398 1.00 0.00 O ATOM 0 H GLY A 20 21.025 43.613 17.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.505 42.902 15.848 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.264 43.843 14.580 1.00 0.00 H new ATOM 309 N ASP A 21 22.300 41.700 14.549 1.00 0.00 N ATOM 310 CA ASP A 21 23.001 40.526 14.024 1.00 0.00 C ATOM 311 C ASP A 21 23.098 39.403 15.081 1.00 0.00 C ATOM 312 O ASP A 21 24.178 39.081 15.579 1.00 0.00 O ATOM 313 CB ASP A 21 24.373 40.994 13.508 1.00 0.00 C ATOM 314 CG ASP A 21 25.287 39.847 13.076 1.00 0.00 C ATOM 315 OD1 ASP A 21 26.508 39.943 13.347 1.00 0.00 O ATOM 316 OD2 ASP A 21 24.812 38.864 12.457 1.00 0.00 O1- ATOM 0 H ASP A 21 22.942 42.458 14.782 1.00 0.00 H new ATOM 0 HA ASP A 21 22.445 40.083 13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.224 41.667 12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.869 41.569 14.290 1.00 0.00 H new ATOM 321 N ASN A 22 21.956 38.825 15.462 1.00 0.00 N ATOM 322 CA ASN A 22 21.864 37.792 16.498 1.00 0.00 C ATOM 323 C ASN A 22 22.120 36.340 16.033 1.00 0.00 C ATOM 324 O ASN A 22 22.030 35.434 16.858 1.00 0.00 O ATOM 325 CB ASN A 22 20.509 37.928 17.214 1.00 0.00 C ATOM 326 CG ASN A 22 19.305 37.547 16.369 1.00 0.00 C ATOM 327 OD1 ASN A 22 19.148 37.945 15.219 1.00 0.00 O ATOM 328 ND2 ASN A 22 18.414 36.757 16.914 1.00 0.00 N ATOM 0 H ASN A 22 21.053 39.066 15.052 1.00 0.00 H new ATOM 0 HA ASN A 22 22.690 37.977 17.185 1.00 0.00 H new ATOM 0 HB2 ASN A 22 20.521 37.304 18.108 1.00 0.00 H new ATOM 0 HB3 ASN A 22 20.391 38.959 17.547 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.591 36.473 16.383 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.543 36.425 17.870 1.00 0.00 H new ATOM 335 N ASP A 23 22.420 36.080 14.754 1.00 0.00 N ATOM 336 CA ASP A 23 22.491 34.705 14.216 1.00 0.00 C ATOM 337 C ASP A 23 23.550 33.830 14.931 1.00 0.00 C ATOM 338 O ASP A 23 23.254 32.710 15.352 1.00 0.00 O ATOM 339 CB ASP A 23 22.764 34.698 12.698 1.00 0.00 C ATOM 340 CG ASP A 23 21.940 35.649 11.824 1.00 0.00 C ATOM 341 OD1 ASP A 23 22.443 36.027 10.735 1.00 0.00 O ATOM 342 OD2 ASP A 23 20.776 35.987 12.150 1.00 0.00 O1- ATOM 0 H ASP A 23 22.619 36.805 14.065 1.00 0.00 H new ATOM 0 HA ASP A 23 21.510 34.270 14.407 1.00 0.00 H new ATOM 0 HB2 ASP A 23 23.818 34.930 12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.605 33.683 12.333 1.00 0.00 H new ATOM 347 N TYR A 24 24.769 34.347 15.125 1.00 0.00 N ATOM 348 CA TYR A 24 25.832 33.678 15.890 1.00 0.00 C ATOM 349 C TYR A 24 25.441 33.452 17.364 1.00 0.00 C ATOM 350 O TYR A 24 25.628 32.350 17.882 1.00 0.00 O ATOM 351 CB TYR A 24 27.139 34.483 15.732 1.00 0.00 C ATOM 352 CG TYR A 24 28.181 34.280 16.818 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.264 35.200 17.881 1.00 0.00 C ATOM 354 CD2 TYR A 24 29.079 33.199 16.758 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.231 35.040 18.889 1.00 0.00 C ATOM 356 CE2 TYR A 24 30.054 33.037 17.763 1.00 0.00 C ATOM 357 CZ TYR A 24 30.123 33.952 18.839 1.00 0.00 C ATOM 358 OH TYR A 24 31.038 33.791 19.834 1.00 0.00 O ATOM 0 H TYR A 24 25.050 35.253 14.751 1.00 0.00 H new ATOM 0 HA TYR A 24 25.988 32.677 15.488 1.00 0.00 H new ATOM 0 HB2 TYR A 24 27.588 34.225 14.773 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.887 35.543 15.691 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.580 36.035 17.922 1.00 0.00 H new ATOM 0 HD2 TYR A 24 29.021 32.493 15.942 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.289 35.751 19.700 1.00 0.00 H new ATOM 0 HE2 TYR A 24 30.750 32.213 17.711 1.00 0.00 H new ATOM 0 HH TYR A 24 31.579 32.994 19.655 1.00 0.00 H new ATOM 368 N CYS A 25 24.829 34.443 18.020 1.00 0.00 N ATOM 369 CA CYS A 25 24.281 34.312 19.376 1.00 0.00 C ATOM 370 C CYS A 25 23.232 33.186 19.478 1.00 0.00 C ATOM 371 O CYS A 25 23.332 32.343 20.371 1.00 0.00 O ATOM 372 CB CYS A 25 23.727 35.681 19.810 1.00 0.00 C ATOM 373 SG CYS A 25 22.653 35.725 21.277 1.00 0.00 S ATOM 0 H CYS A 25 24.698 35.372 17.620 1.00 0.00 H new ATOM 0 HA CYS A 25 25.075 34.016 20.061 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.573 36.344 19.992 1.00 0.00 H new ATOM 0 HB3 CYS A 25 23.169 36.099 18.972 1.00 0.00 H new ATOM 378 N VAL A 26 22.278 33.103 18.541 1.00 0.00 N ATOM 379 CA VAL A 26 21.273 32.022 18.502 1.00 0.00 C ATOM 380 C VAL A 26 21.938 30.653 18.344 1.00 0.00 C ATOM 381 O VAL A 26 21.623 29.733 19.102 1.00 0.00 O ATOM 382 CB VAL A 26 20.229 32.269 17.391 1.00 0.00 C ATOM 383 CG1 VAL A 26 19.286 31.075 17.182 1.00 0.00 C ATOM 384 CG2 VAL A 26 19.351 33.477 17.739 1.00 0.00 C ATOM 0 H VAL A 26 22.178 33.782 17.786 1.00 0.00 H new ATOM 0 HA VAL A 26 20.746 32.025 19.456 1.00 0.00 H new ATOM 0 HB VAL A 26 20.803 32.437 16.480 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.575 31.307 16.389 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.868 30.197 16.902 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.745 30.872 18.106 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.621 33.637 16.946 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.831 33.290 18.678 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.976 34.364 17.841 1.00 0.00 H new ATOM 394 N ARG A 27 22.897 30.514 17.419 1.00 0.00 N ATOM 395 CA ARG A 27 23.638 29.264 17.178 1.00 0.00 C ATOM 396 C ARG A 27 24.435 28.819 18.408 1.00 0.00 C ATOM 397 O ARG A 27 24.270 27.698 18.875 1.00 0.00 O ATOM 398 CB ARG A 27 24.530 29.440 15.942 1.00 0.00 C ATOM 399 CG ARG A 27 23.704 29.504 14.647 1.00 0.00 C ATOM 400 CD ARG A 27 24.573 29.966 13.474 1.00 0.00 C ATOM 401 NE ARG A 27 23.769 30.171 12.256 1.00 0.00 N ATOM 402 CZ ARG A 27 23.840 31.196 11.429 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.741 32.131 11.517 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 22.972 31.305 10.473 1.00 0.00 N ATOM 0 H ARG A 27 23.186 31.277 16.807 1.00 0.00 H new ATOM 0 HA ARG A 27 22.925 28.462 16.986 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.117 30.353 16.044 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.236 28.612 15.882 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.283 28.523 14.430 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.866 30.189 14.777 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.079 30.895 13.738 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.348 29.225 13.279 1.00 0.00 H new ATOM 0 HE ARG A 27 23.088 29.446 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.443 32.095 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.745 32.900 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.241 30.601 10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.019 32.094 9.829 1.00 0.00 H new ATOM 418 N GLU A 28 25.239 29.692 19.004 1.00 0.00 N ATOM 419 CA GLU A 28 26.005 29.354 20.214 1.00 0.00 C ATOM 420 C GLU A 28 25.123 29.087 21.447 1.00 0.00 C ATOM 421 O GLU A 28 25.548 28.345 22.339 1.00 0.00 O ATOM 422 CB GLU A 28 26.968 30.495 20.551 1.00 0.00 C ATOM 423 CG GLU A 28 28.119 30.687 19.553 1.00 0.00 C ATOM 424 CD GLU A 28 29.204 29.600 19.622 1.00 0.00 C ATOM 425 OE1 GLU A 28 30.285 29.767 19.005 1.00 0.00 O ATOM 426 OE2 GLU A 28 29.034 28.561 20.307 1.00 0.00 O1- ATOM 0 H GLU A 28 25.383 30.646 18.672 1.00 0.00 H new ATOM 0 HA GLU A 28 26.539 28.432 19.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 26.401 31.424 20.612 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.390 30.314 21.540 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.709 30.711 18.543 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.582 31.658 19.732 1.00 0.00 H new ATOM 433 N CYS A 29 23.922 29.672 21.513 1.00 0.00 N ATOM 434 CA CYS A 29 22.973 29.454 22.605 1.00 0.00 C ATOM 435 C CYS A 29 22.173 28.148 22.459 1.00 0.00 C ATOM 436 O CYS A 29 22.035 27.400 23.431 1.00 0.00 O ATOM 437 CB CYS A 29 22.053 30.676 22.751 1.00 0.00 C ATOM 438 SG CYS A 29 21.283 30.743 24.387 1.00 0.00 S ATOM 0 H CYS A 29 23.580 30.317 20.801 1.00 0.00 H new ATOM 0 HA CYS A 29 23.551 29.337 23.522 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.628 31.586 22.582 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.278 30.642 21.985 1.00 0.00 H new ATOM 443 N ARG A 30 21.712 27.809 21.245 1.00 0.00 N ATOM 444 CA ARG A 30 21.061 26.514 20.968 1.00 0.00 C ATOM 445 C ARG A 30 22.036 25.340 21.088 1.00 0.00 C ATOM 446 O ARG A 30 21.656 24.268 21.566 1.00 0.00 O ATOM 447 CB ARG A 30 20.295 26.559 19.628 1.00 0.00 C ATOM 448 CG ARG A 30 21.156 26.318 18.377 1.00 0.00 C ATOM 449 CD ARG A 30 20.404 26.569 17.066 1.00 0.00 C ATOM 450 NE ARG A 30 19.255 25.663 16.890 1.00 0.00 N ATOM 451 CZ ARG A 30 19.143 24.640 16.066 1.00 0.00 C ATOM 452 NH1 ARG A 30 20.125 24.124 15.386 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.984 24.094 15.890 1.00 0.00 N ATOM 0 H ARG A 30 21.778 28.419 20.430 1.00 0.00 H new ATOM 0 HA ARG A 30 20.314 26.334 21.741 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.503 25.811 19.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.812 27.532 19.536 1.00 0.00 H new ATOM 0 HG2 ARG A 30 22.031 26.967 18.416 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.521 25.291 18.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.055 27.601 17.043 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.091 26.446 16.228 1.00 0.00 H new ATOM 0 HE ARG A 30 18.444 25.851 17.480 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.064 24.513 15.471 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.956 23.330 14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.169 24.455 16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.885 23.302 15.255 1.00 0.00 H new ATOM 467 N LEU A 31 23.317 25.564 20.768 1.00 0.00 N ATOM 468 CA LEU A 31 24.381 24.584 21.016 1.00 0.00 C ATOM 469 C LEU A 31 24.743 24.458 22.510 1.00 0.00 C ATOM 470 O LEU A 31 25.290 23.430 22.911 1.00 0.00 O ATOM 471 CB LEU A 31 25.614 24.950 20.174 1.00 0.00 C ATOM 472 CG LEU A 31 25.449 24.746 18.656 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.610 25.420 17.922 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.433 23.263 18.274 1.00 0.00 C ATOM 0 H LEU A 31 23.644 26.426 20.332 1.00 0.00 H new ATOM 0 HA LEU A 31 24.010 23.604 20.716 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.865 25.994 20.360 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.459 24.353 20.516 1.00 0.00 H new ATOM 0 HG LEU A 31 24.494 25.187 18.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.494 25.276 16.848 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.613 26.487 18.147 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.552 24.978 18.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.315 23.167 17.195 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.371 22.798 18.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.602 22.767 18.776 1.00 0.00 H new ATOM 486 N ARG A 32 24.411 25.454 23.348 1.00 0.00 N ATOM 487 CA ARG A 32 24.595 25.405 24.809 1.00 0.00 C ATOM 488 C ARG A 32 23.466 24.655 25.516 1.00 0.00 C ATOM 489 O ARG A 32 23.707 23.592 26.088 1.00 0.00 O ATOM 490 CB ARG A 32 24.773 26.831 25.372 1.00 0.00 C ATOM 491 CG ARG A 32 25.102 26.892 26.877 1.00 0.00 C ATOM 492 CD ARG A 32 26.417 26.203 27.257 1.00 0.00 C ATOM 493 NE ARG A 32 27.545 26.774 26.503 1.00 0.00 N ATOM 494 CZ ARG A 32 28.486 26.154 25.820 1.00 0.00 C ATOM 495 NH1 ARG A 32 28.609 24.861 25.792 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.342 26.854 25.144 1.00 0.00 N ATOM 0 H ARG A 32 24.001 26.330 23.025 1.00 0.00 H new ATOM 0 HA ARG A 32 25.504 24.838 25.009 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.570 27.329 24.819 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.858 27.396 25.191 1.00 0.00 H new ATOM 0 HG2 ARG A 32 25.149 27.936 27.186 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.288 26.430 27.435 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.595 26.315 28.326 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.344 25.134 27.056 1.00 0.00 H new ATOM 0 HE ARG A 32 27.607 27.792 26.510 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.958 24.275 26.316 1.00 0.00 H new ATOM 0 HH12 ARG A 32 29.356 24.431 25.246 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.282 27.872 25.145 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.075 26.387 24.611 1.00 0.00 H new ATOM 510 N TYR A 33 22.248 25.196 25.498 1.00 0.00 N ATOM 511 CA TYR A 33 21.147 24.702 26.336 1.00 0.00 C ATOM 512 C TYR A 33 20.295 23.617 25.654 1.00 0.00 C ATOM 513 O TYR A 33 20.301 22.462 26.086 1.00 0.00 O ATOM 514 CB TYR A 33 20.311 25.888 26.856 1.00 0.00 C ATOM 515 CG TYR A 33 21.108 26.975 27.554 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.763 26.689 28.765 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.195 28.268 27.003 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.539 27.674 29.405 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.970 29.259 27.645 1.00 0.00 C ATOM 520 CZ TYR A 33 22.655 28.962 28.842 1.00 0.00 C ATOM 521 OH TYR A 33 23.425 29.906 29.447 1.00 0.00 O ATOM 0 H TYR A 33 21.994 25.986 24.906 1.00 0.00 H new ATOM 0 HA TYR A 33 21.587 24.194 27.194 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.776 26.332 26.017 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.559 25.508 27.548 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.670 25.708 29.207 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.669 28.502 26.089 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.047 27.443 30.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.039 30.248 27.218 1.00 0.00 H new ATOM 0 HH TYR A 33 23.679 29.597 30.341 1.00 0.00 H new ATOM 531 N TYR A 34 19.560 23.974 24.598 1.00 0.00 N ATOM 532 CA TYR A 34 18.597 23.113 23.897 1.00 0.00 C ATOM 533 C TYR A 34 18.369 23.633 22.471 1.00 0.00 C ATOM 534 O TYR A 34 18.453 24.840 22.241 1.00 0.00 O ATOM 535 CB TYR A 34 17.281 23.038 24.694 1.00 0.00 C ATOM 536 CG TYR A 34 16.549 24.351 24.911 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.945 25.211 25.953 1.00 0.00 C ATOM 538 CD2 TYR A 34 15.466 24.708 24.090 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.325 26.462 26.122 1.00 0.00 C ATOM 540 CE2 TYR A 34 14.815 25.945 24.278 1.00 0.00 C ATOM 541 CZ TYR A 34 15.257 26.836 25.277 1.00 0.00 C ATOM 542 OH TYR A 34 14.659 28.052 25.389 1.00 0.00 O ATOM 0 H TYR A 34 19.620 24.907 24.190 1.00 0.00 H new ATOM 0 HA TYR A 34 18.998 22.102 23.822 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.608 22.352 24.179 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.496 22.601 25.669 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.731 24.908 26.628 1.00 0.00 H new ATOM 0 HD2 TYR A 34 15.132 24.035 23.314 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.665 27.135 26.896 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.974 26.211 23.654 1.00 0.00 H new ATOM 0 HH TYR A 34 14.000 28.027 26.114 1.00 0.00 H new ATOM 552 N GLN A 35 18.086 22.757 21.500 1.00 0.00 N ATOM 553 CA GLN A 35 18.088 23.163 20.084 1.00 0.00 C ATOM 554 C GLN A 35 16.982 24.167 19.704 1.00 0.00 C ATOM 555 O GLN A 35 17.165 24.937 18.763 1.00 0.00 O ATOM 556 CB GLN A 35 18.108 21.941 19.155 1.00 0.00 C ATOM 557 CG GLN A 35 16.787 21.163 19.045 1.00 0.00 C ATOM 558 CD GLN A 35 16.538 20.683 17.621 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.244 19.834 17.089 1.00 0.00 O ATOM 560 NE2 GLN A 35 15.539 21.201 16.951 1.00 0.00 N ATOM 0 H GLN A 35 17.856 21.777 21.661 1.00 0.00 H new ATOM 0 HA GLN A 35 19.016 23.716 19.940 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.397 22.271 18.157 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.883 21.257 19.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.811 20.307 19.720 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.962 21.799 19.365 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.946 21.908 17.385 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.354 20.897 15.995 1.00 0.00 H new ATOM 569 N SER A 36 15.860 24.209 20.434 1.00 0.00 N ATOM 570 CA SER A 36 14.825 25.236 20.256 1.00 0.00 C ATOM 571 C SER A 36 15.200 26.617 20.818 1.00 0.00 C ATOM 572 O SER A 36 14.392 27.536 20.695 1.00 0.00 O ATOM 573 CB SER A 36 13.498 24.798 20.898 1.00 0.00 C ATOM 574 OG SER A 36 13.020 23.560 20.407 1.00 0.00 O ATOM 0 H SER A 36 15.644 23.531 21.165 1.00 0.00 H new ATOM 0 HA SER A 36 14.723 25.338 19.176 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.631 24.726 21.977 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.745 25.566 20.720 1.00 0.00 H new ATOM 0 HG SER A 36 12.177 23.335 20.853 1.00 0.00 H new ATOM 580 N ALA A 37 16.353 26.802 21.474 1.00 0.00 N ATOM 581 CA ALA A 37 16.672 28.065 22.152 1.00 0.00 C ATOM 582 C ALA A 37 16.866 29.247 21.183 1.00 0.00 C ATOM 583 O ALA A 37 17.297 29.085 20.039 1.00 0.00 O ATOM 584 CB ALA A 37 17.902 27.886 23.051 1.00 0.00 C ATOM 0 H ALA A 37 17.081 26.092 21.550 1.00 0.00 H new ATOM 0 HA ALA A 37 15.808 28.320 22.766 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.129 28.829 23.549 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.697 27.121 23.800 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.755 27.581 22.444 1.00 0.00 H new ATOM 590 N HIS A 38 16.584 30.456 21.666 1.00 0.00 N ATOM 591 CA HIS A 38 16.771 31.722 20.953 1.00 0.00 C ATOM 592 C HIS A 38 17.323 32.807 21.891 1.00 0.00 C ATOM 593 O HIS A 38 17.235 32.695 23.117 1.00 0.00 O ATOM 594 CB HIS A 38 15.444 32.120 20.287 1.00 0.00 C ATOM 595 CG HIS A 38 15.553 33.295 19.348 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.457 34.639 19.716 1.00 0.00 N ATOM 597 CD2 HIS A 38 15.824 33.221 18.014 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.664 35.344 18.592 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.881 34.519 17.556 1.00 0.00 N ATOM 0 H HIS A 38 16.203 30.587 22.603 1.00 0.00 H new ATOM 0 HA HIS A 38 17.518 31.603 20.168 1.00 0.00 H new ATOM 0 HB2 HIS A 38 15.055 31.264 19.736 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.717 32.356 21.064 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.966 32.323 17.432 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.657 36.422 18.530 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.058 34.805 16.593 1.00 0.00 H new ATOM 607 N GLY A 39 17.919 33.847 21.311 1.00 0.00 N ATOM 608 CA GLY A 39 18.508 34.973 22.024 1.00 0.00 C ATOM 609 C GLY A 39 18.877 36.131 21.096 1.00 0.00 C ATOM 610 O GLY A 39 18.766 36.032 19.868 1.00 0.00 O ATOM 0 H GLY A 39 18.007 33.929 20.298 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.806 35.327 22.779 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.401 34.637 22.552 1.00 0.00 H new ATOM 614 N TYR A 40 19.314 37.237 21.695 1.00 0.00 N ATOM 615 CA TYR A 40 19.724 38.442 20.979 1.00 0.00 C ATOM 616 C TYR A 40 20.862 39.195 21.672 1.00 0.00 C ATOM 617 O TYR A 40 21.195 38.942 22.830 1.00 0.00 O ATOM 618 CB TYR A 40 18.509 39.328 20.685 1.00 0.00 C ATOM 619 CG TYR A 40 17.898 40.089 21.846 1.00 0.00 C ATOM 620 CD1 TYR A 40 17.036 39.438 22.753 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.121 41.474 21.963 1.00 0.00 C ATOM 622 CE1 TYR A 40 16.387 40.177 23.764 1.00 0.00 C ATOM 623 CE2 TYR A 40 17.474 42.213 22.969 1.00 0.00 C ATOM 624 CZ TYR A 40 16.597 41.569 23.868 1.00 0.00 C ATOM 625 OH TYR A 40 15.894 42.298 24.773 1.00 0.00 O ATOM 0 H TYR A 40 19.394 37.322 22.708 1.00 0.00 H new ATOM 0 HA TYR A 40 20.144 38.130 20.023 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.798 40.052 19.923 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.732 38.699 20.249 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.873 38.373 22.673 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.792 41.971 21.277 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.729 39.677 24.459 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.648 43.275 23.054 1.00 0.00 H new ATOM 0 HH TYR A 40 16.161 43.239 24.714 1.00 0.00 H new ATOM 635 N CYS A 41 21.492 40.098 20.923 1.00 0.00 N ATOM 636 CA CYS A 41 22.730 40.781 21.294 1.00 0.00 C ATOM 637 C CYS A 41 22.499 42.023 22.170 1.00 0.00 C ATOM 638 O CYS A 41 22.995 43.107 21.857 1.00 0.00 O ATOM 639 CB CYS A 41 23.516 41.074 20.012 1.00 0.00 C ATOM 640 SG CYS A 41 24.140 39.579 19.205 1.00 0.00 S ATOM 0 H CYS A 41 21.142 40.384 20.009 1.00 0.00 H new ATOM 0 HA CYS A 41 23.324 40.128 21.933 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.875 41.615 19.316 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.354 41.729 20.249 1.00 0.00 H new ATOM 645 N TYR A 42 21.750 41.869 23.266 1.00 0.00 N ATOM 646 CA TYR A 42 21.422 42.943 24.210 1.00 0.00 C ATOM 647 C TYR A 42 22.699 43.651 24.692 1.00 0.00 C ATOM 648 O TYR A 42 23.598 43.017 25.246 1.00 0.00 O ATOM 649 CB TYR A 42 20.622 42.362 25.389 1.00 0.00 C ATOM 650 CG TYR A 42 20.161 43.382 26.421 1.00 0.00 C ATOM 651 CD1 TYR A 42 21.007 43.758 27.485 1.00 0.00 C ATOM 652 CD2 TYR A 42 18.877 43.949 26.327 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.574 44.697 28.441 1.00 0.00 C ATOM 654 CE2 TYR A 42 18.439 44.892 27.280 1.00 0.00 C ATOM 655 CZ TYR A 42 19.288 45.267 28.340 1.00 0.00 C ATOM 656 OH TYR A 42 18.856 46.116 29.309 1.00 0.00 O ATOM 0 H TYR A 42 21.344 40.971 23.529 1.00 0.00 H new ATOM 0 HA TYR A 42 20.807 43.690 23.708 1.00 0.00 H new ATOM 0 HB2 TYR A 42 19.747 41.846 24.995 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.235 41.613 25.890 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.992 43.323 27.567 1.00 0.00 H new ATOM 0 HD2 TYR A 42 18.222 43.660 25.519 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.228 44.981 29.253 1.00 0.00 H new ATOM 0 HE2 TYR A 42 17.454 45.326 27.197 1.00 0.00 H new ATOM 0 HH TYR A 42 17.951 46.424 29.094 1.00 0.00 H new ATOM 666 N ALA A 43 22.796 44.961 24.450 1.00 0.00 N ATOM 667 CA ALA A 43 23.979 45.769 24.769 1.00 0.00 C ATOM 668 C ALA A 43 25.305 45.160 24.236 1.00 0.00 C ATOM 669 O ALA A 43 26.331 45.205 24.919 1.00 0.00 O ATOM 670 CB ALA A 43 23.990 46.095 26.270 1.00 0.00 C ATOM 0 H ALA A 43 22.044 45.500 24.020 1.00 0.00 H new ATOM 0 HA ALA A 43 23.908 46.714 24.230 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.869 46.695 26.506 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.090 46.653 26.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.019 45.168 26.843 1.00 0.00 H new ATOM 676 N PHE A 44 25.288 44.587 23.023 1.00 0.00 N ATOM 677 CA PHE A 44 26.417 43.912 22.358 1.00 0.00 C ATOM 678 C PHE A 44 26.902 42.616 23.050 1.00 0.00 C ATOM 679 O PHE A 44 28.022 42.163 22.793 1.00 0.00 O ATOM 680 CB PHE A 44 27.570 44.892 22.031 1.00 0.00 C ATOM 681 CG PHE A 44 27.217 46.105 21.180 1.00 0.00 C ATOM 682 CD1 PHE A 44 26.772 47.296 21.791 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.387 46.058 19.782 1.00 0.00 C ATOM 684 CE1 PHE A 44 26.466 48.422 21.006 1.00 0.00 C ATOM 685 CE2 PHE A 44 27.102 47.192 18.996 1.00 0.00 C ATOM 686 CZ PHE A 44 26.627 48.366 19.608 1.00 0.00 C ATOM 0 H PHE A 44 24.445 44.581 22.449 1.00 0.00 H new ATOM 0 HA PHE A 44 26.013 43.562 21.408 1.00 0.00 H new ATOM 0 HB2 PHE A 44 27.991 45.247 22.971 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.355 44.335 21.520 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.666 47.343 22.865 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.737 45.151 19.312 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.108 49.327 21.474 1.00 0.00 H new ATOM 0 HE2 PHE A 44 27.248 47.160 17.926 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.385 49.228 19.004 1.00 0.00 H new ATOM 696 N ALA A 45 26.060 41.956 23.859 1.00 0.00 N ATOM 697 CA ALA A 45 26.308 40.607 24.378 1.00 0.00 C ATOM 698 C ALA A 45 25.078 39.688 24.301 1.00 0.00 C ATOM 699 O ALA A 45 23.935 40.136 24.359 1.00 0.00 O ATOM 700 CB ALA A 45 26.929 40.718 25.765 1.00 0.00 C ATOM 0 H ALA A 45 25.175 42.352 24.175 1.00 0.00 H new ATOM 0 HA ALA A 45 27.026 40.102 23.731 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.117 39.720 26.160 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.869 41.266 25.700 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.245 41.248 26.428 1.00 0.00 H new ATOM 706 N CYS A 46 25.313 38.384 24.133 1.00 0.00 N ATOM 707 CA CYS A 46 24.246 37.410 23.915 1.00 0.00 C ATOM 708 C CYS A 46 23.384 37.093 25.170 1.00 0.00 C ATOM 709 O CYS A 46 23.867 36.623 26.209 1.00 0.00 O ATOM 710 CB CYS A 46 24.883 36.156 23.309 1.00 0.00 C ATOM 711 SG CYS A 46 23.726 34.865 22.782 1.00 0.00 S ATOM 0 H CYS A 46 26.248 37.976 24.145 1.00 0.00 H new ATOM 0 HA CYS A 46 23.521 37.846 23.228 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.482 36.454 22.449 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.567 35.728 24.041 1.00 0.00 H new ATOM 716 N TRP A 47 22.079 37.329 25.057 1.00 0.00 N ATOM 717 CA TRP A 47 21.061 37.163 26.100 1.00 0.00 C ATOM 718 C TRP A 47 19.924 36.281 25.554 1.00 0.00 C ATOM 719 O TRP A 47 19.316 36.604 24.530 1.00 0.00 O ATOM 720 CB TRP A 47 20.561 38.558 26.519 1.00 0.00 C ATOM 721 CG TRP A 47 19.572 38.611 27.643 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.225 38.662 27.505 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.821 38.633 29.083 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.629 38.713 28.750 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.565 38.660 29.761 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.982 38.682 29.890 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.464 38.679 31.158 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.892 38.730 31.293 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.638 38.698 31.932 1.00 0.00 C ATOM 0 H TRP A 47 21.676 37.662 24.181 1.00 0.00 H new ATOM 0 HA TRP A 47 21.471 36.668 26.981 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.426 39.159 26.799 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.111 39.034 25.648 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.697 38.663 26.563 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.623 38.781 28.902 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.955 38.683 29.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.495 38.679 31.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.793 38.792 31.885 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.578 38.688 33.010 1.00 0.00 H new ATOM 740 N CYS A 48 19.657 35.150 26.203 1.00 0.00 N ATOM 741 CA CYS A 48 18.751 34.106 25.713 1.00 0.00 C ATOM 742 C CYS A 48 17.447 34.001 26.517 1.00 0.00 C ATOM 743 O CYS A 48 17.380 34.354 27.696 1.00 0.00 O ATOM 744 CB CYS A 48 19.474 32.757 25.673 1.00 0.00 C ATOM 745 SG CYS A 48 21.030 32.725 24.758 1.00 0.00 S ATOM 0 H CYS A 48 20.073 34.926 27.107 1.00 0.00 H new ATOM 0 HA CYS A 48 18.459 34.394 24.703 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.670 32.441 26.698 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.802 32.019 25.235 1.00 0.00 H new ATOM 750 N THR A 49 16.413 33.461 25.874 1.00 0.00 N ATOM 751 CA THR A 49 15.019 33.469 26.353 1.00 0.00 C ATOM 752 C THR A 49 14.445 32.070 26.609 1.00 0.00 C ATOM 753 O THR A 49 14.922 31.058 26.084 1.00 0.00 O ATOM 754 CB THR A 49 14.127 34.207 25.329 1.00 0.00 C ATOM 755 OG1 THR A 49 14.196 33.537 24.085 1.00 0.00 O ATOM 756 CG2 THR A 49 14.570 35.654 25.092 1.00 0.00 C ATOM 0 H THR A 49 16.519 32.989 24.976 1.00 0.00 H new ATOM 0 HA THR A 49 15.026 33.984 27.314 1.00 0.00 H new ATOM 0 HB THR A 49 13.117 34.214 25.739 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.631 34.000 23.432 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.908 36.123 24.364 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.526 36.206 26.031 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.592 35.664 24.712 1.00 0.00 H new ATOM 764 N HIS A 50 13.363 32.015 27.391 1.00 0.00 N ATOM 765 CA HIS A 50 12.518 30.821 27.588 1.00 0.00 C ATOM 766 C HIS A 50 13.279 29.570 28.085 1.00 0.00 C ATOM 767 O HIS A 50 12.856 28.433 27.842 1.00 0.00 O ATOM 768 CB HIS A 50 11.658 30.566 26.337 1.00 0.00 C ATOM 769 CG HIS A 50 10.922 31.774 25.789 1.00 0.00 C ATOM 770 ND1 HIS A 50 9.793 32.374 26.357 1.00 0.00 N ATOM 771 CD2 HIS A 50 11.201 32.410 24.611 1.00 0.00 C ATOM 772 CE1 HIS A 50 9.383 33.301 25.473 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.236 33.379 24.439 1.00 0.00 N ATOM 0 H HIS A 50 13.036 32.822 27.923 1.00 0.00 H new ATOM 0 HA HIS A 50 11.846 31.041 28.418 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.300 30.168 25.552 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.926 29.793 26.573 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.021 32.194 23.943 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.491 33.900 25.580 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.180 34.039 23.663 1.00 0.00 H new ATOM 781 N LEU A 51 14.417 29.774 28.761 1.00 0.00 N ATOM 782 CA LEU A 51 15.273 28.739 29.337 1.00 0.00 C ATOM 783 C LEU A 51 14.628 28.070 30.566 1.00 0.00 C ATOM 784 O LEU A 51 13.874 28.705 31.308 1.00 0.00 O ATOM 785 CB LEU A 51 16.644 29.327 29.759 1.00 0.00 C ATOM 786 CG LEU A 51 17.343 30.308 28.792 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.611 30.849 29.445 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.729 29.644 27.471 1.00 0.00 C ATOM 0 H LEU A 51 14.780 30.713 28.927 1.00 0.00 H new ATOM 0 HA LEU A 51 15.411 27.987 28.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.509 29.838 30.712 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.324 28.494 29.938 1.00 0.00 H new ATOM 0 HG LEU A 51 16.635 31.109 28.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.105 31.541 28.763 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.352 31.370 30.366 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.284 30.022 29.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.217 30.374 26.826 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.413 28.817 27.665 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.833 29.266 26.978 1.00 0.00 H new ATOM 800 N TYR A 52 14.975 26.805 30.812 1.00 0.00 N ATOM 801 CA TYR A 52 14.639 26.099 32.049 1.00 0.00 C ATOM 802 C TYR A 52 15.427 26.634 33.253 1.00 0.00 C ATOM 803 O TYR A 52 16.518 27.189 33.109 1.00 0.00 O ATOM 804 CB TYR A 52 14.865 24.586 31.883 1.00 0.00 C ATOM 805 CG TYR A 52 16.061 24.165 31.044 1.00 0.00 C ATOM 806 CD1 TYR A 52 15.875 23.678 29.737 1.00 0.00 C ATOM 807 CD2 TYR A 52 17.357 24.234 31.587 1.00 0.00 C ATOM 808 CE1 TYR A 52 16.978 23.217 28.993 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.464 23.790 30.843 1.00 0.00 C ATOM 810 CZ TYR A 52 18.275 23.267 29.549 1.00 0.00 C ATOM 811 OH TYR A 52 19.336 22.786 28.857 1.00 0.00 O ATOM 0 H TYR A 52 15.503 26.236 30.150 1.00 0.00 H new ATOM 0 HA TYR A 52 13.583 26.280 32.249 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.973 24.147 32.875 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.968 24.154 31.439 1.00 0.00 H new ATOM 0 HD1 TYR A 52 14.886 23.658 29.304 1.00 0.00 H new ATOM 0 HD2 TYR A 52 17.502 24.630 32.581 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.832 22.825 27.997 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.457 23.850 31.263 1.00 0.00 H new ATOM 0 HH TYR A 52 19.128 22.782 27.899 1.00 0.00 H new ATOM 821 N GLU A 53 14.910 26.397 34.460 1.00 0.00 N ATOM 822 CA GLU A 53 15.566 26.773 35.723 1.00 0.00 C ATOM 823 C GLU A 53 16.970 26.144 35.879 1.00 0.00 C ATOM 824 O GLU A 53 17.853 26.743 36.491 1.00 0.00 O ATOM 825 CB GLU A 53 14.675 26.357 36.911 1.00 0.00 C ATOM 826 CG GLU A 53 13.229 26.890 36.895 1.00 0.00 C ATOM 827 CD GLU A 53 13.096 28.414 36.816 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.890 29.133 37.473 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.124 28.903 36.190 1.00 0.00 O1- ATOM 0 H GLU A 53 14.012 25.932 34.594 1.00 0.00 H new ATOM 0 HA GLU A 53 15.700 27.855 35.708 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.639 25.268 36.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.153 26.691 37.832 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.707 26.451 36.045 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.721 26.543 37.795 1.00 0.00 H new ATOM 836 N GLN A 54 17.212 24.967 35.284 1.00 0.00 N ATOM 837 CA GLN A 54 18.488 24.232 35.381 1.00 0.00 C ATOM 838 C GLN A 54 19.617 24.730 34.442 1.00 0.00 C ATOM 839 O GLN A 54 20.624 24.038 34.278 1.00 0.00 O ATOM 840 CB GLN A 54 18.233 22.716 35.223 1.00 0.00 C ATOM 841 CG GLN A 54 17.595 22.051 36.457 1.00 0.00 C ATOM 842 CD GLN A 54 18.584 21.827 37.605 1.00 0.00 C ATOM 843 OE1 GLN A 54 19.247 22.737 38.091 1.00 0.00 O ATOM 844 NE2 GLN A 54 18.711 20.628 38.124 1.00 0.00 N ATOM 0 H GLN A 54 16.517 24.488 34.711 1.00 0.00 H new ATOM 0 HA GLN A 54 18.877 24.440 36.378 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.584 22.556 34.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.179 22.221 35.006 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.773 22.673 36.811 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.167 21.093 36.164 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.174 19.848 37.744 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.346 20.476 38.907 1.00 0.00 H new ATOM 853 N ALA A 55 19.476 25.894 33.799 1.00 0.00 N ATOM 854 CA ALA A 55 20.492 26.443 32.891 1.00 0.00 C ATOM 855 C ALA A 55 21.786 26.868 33.622 1.00 0.00 C ATOM 856 O ALA A 55 21.731 27.385 34.743 1.00 0.00 O ATOM 857 CB ALA A 55 19.863 27.617 32.128 1.00 0.00 C ATOM 0 H ALA A 55 18.650 26.486 33.893 1.00 0.00 H new ATOM 0 HA ALA A 55 20.801 25.663 32.195 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.598 28.043 31.446 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.003 27.263 31.560 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.540 28.380 32.836 1.00 0.00 H new ATOM 863 N VAL A 56 22.956 26.669 32.998 1.00 0.00 N ATOM 864 CA VAL A 56 24.249 27.207 33.479 1.00 0.00 C ATOM 865 C VAL A 56 24.416 28.704 33.165 1.00 0.00 C ATOM 866 O VAL A 56 24.179 29.144 32.037 1.00 0.00 O ATOM 867 CB VAL A 56 25.442 26.352 32.993 1.00 0.00 C ATOM 868 CG1 VAL A 56 25.687 26.407 31.480 1.00 0.00 C ATOM 869 CG2 VAL A 56 26.746 26.760 33.690 1.00 0.00 C ATOM 0 H VAL A 56 23.038 26.127 32.138 1.00 0.00 H new ATOM 0 HA VAL A 56 24.240 27.134 34.567 1.00 0.00 H new ATOM 0 HB VAL A 56 25.158 25.332 33.253 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.541 25.779 31.227 1.00 0.00 H new ATOM 0 HG12 VAL A 56 24.803 26.046 30.955 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.891 27.435 31.182 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.564 26.139 33.325 1.00 0.00 H new ATOM 0 HG22 VAL A 56 26.961 27.807 33.475 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.641 26.625 34.766 1.00 0.00 H new ATOM 879 N VAL A 57 24.840 29.484 34.168 1.00 0.00 N ATOM 880 CA VAL A 57 25.136 30.929 34.081 1.00 0.00 C ATOM 881 C VAL A 57 26.101 31.310 35.223 1.00 0.00 C ATOM 882 O VAL A 57 25.693 31.533 36.364 1.00 0.00 O ATOM 883 CB VAL A 57 23.823 31.755 34.021 1.00 0.00 C ATOM 884 CG1 VAL A 57 22.793 31.453 35.118 1.00 0.00 C ATOM 885 CG2 VAL A 57 24.084 33.264 33.985 1.00 0.00 C ATOM 0 H VAL A 57 24.994 29.113 35.106 1.00 0.00 H new ATOM 0 HA VAL A 57 25.650 31.172 33.151 1.00 0.00 H new ATOM 0 HB VAL A 57 23.379 31.425 33.082 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.917 32.086 34.979 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.496 30.406 35.060 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.233 31.652 36.095 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.134 33.797 33.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.627 33.561 34.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.677 33.510 33.104 1.00 0.00 H new ATOM 895 N TRP A 58 27.409 31.343 34.926 1.00 0.00 N ATOM 896 CA TRP A 58 28.509 31.429 35.909 1.00 0.00 C ATOM 897 C TRP A 58 28.418 30.369 37.043 1.00 0.00 C ATOM 898 O TRP A 58 28.040 29.238 36.724 1.00 0.00 O ATOM 899 CB TRP A 58 28.837 32.893 36.268 1.00 0.00 C ATOM 900 CG TRP A 58 29.542 33.595 35.152 1.00 0.00 C ATOM 901 CD1 TRP A 58 30.881 33.760 35.063 1.00 0.00 C ATOM 902 CD2 TRP A 58 28.992 34.081 33.889 1.00 0.00 C ATOM 903 NE1 TRP A 58 31.201 34.276 33.823 1.00 0.00 N ATOM 904 CE2 TRP A 58 30.078 34.456 33.049 1.00 0.00 C ATOM 905 CE3 TRP A 58 27.694 34.181 33.347 1.00 0.00 C ATOM 906 CZ2 TRP A 58 29.888 34.852 31.720 1.00 0.00 C ATOM 907 CZ3 TRP A 58 27.491 34.581 32.011 1.00 0.00 C ATOM 908 CH2 TRP A 58 28.590 34.903 31.195 1.00 0.00 C ATOM 0 H TRP A 58 27.745 31.310 33.964 1.00 0.00 H new ATOM 0 HA TRP A 58 29.437 31.100 35.442 1.00 0.00 H new ATOM 0 HB2 TRP A 58 27.915 33.424 36.506 1.00 0.00 H new ATOM 0 HB3 TRP A 58 29.459 32.917 37.163 1.00 0.00 H new ATOM 0 HD1 TRP A 58 31.591 33.524 35.842 1.00 0.00 H new ATOM 0 HE1 TRP A 58 32.150 34.496 33.519 1.00 0.00 H new ATOM 0 HE3 TRP A 58 26.841 33.947 33.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 30.735 35.116 31.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 26.489 34.640 31.613 1.00 0.00 H new ATOM 0 HH2 TRP A 58 28.434 35.189 30.165 1.00 0.00 H new ATOM 919 N PRO A 59 28.789 30.658 38.313 1.00 0.00 N ATOM 920 CA PRO A 59 29.020 29.650 39.360 1.00 0.00 C ATOM 921 C PRO A 59 29.618 28.304 38.902 1.00 0.00 C ATOM 922 O PRO A 59 29.133 27.238 39.288 1.00 0.00 O ATOM 923 CB PRO A 59 27.700 29.575 40.120 1.00 0.00 C ATOM 924 CG PRO A 59 27.338 31.058 40.204 1.00 0.00 C ATOM 925 CD PRO A 59 28.068 31.716 39.023 1.00 0.00 C ATOM 0 HA PRO A 59 29.836 29.954 40.016 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.947 28.995 39.586 1.00 0.00 H new ATOM 0 HB3 PRO A 59 27.814 29.120 41.104 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.260 31.205 40.133 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.656 31.488 41.153 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.358 32.209 38.359 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.759 32.481 39.377 1.00 0.00 H new ATOM 933 N LEU A 60 30.655 28.350 38.056 1.00 0.00 N ATOM 934 CA LEU A 60 31.198 27.184 37.346 1.00 0.00 C ATOM 935 C LEU A 60 31.977 26.210 38.257 1.00 0.00 C ATOM 936 O LEU A 60 32.768 26.654 39.091 1.00 0.00 O ATOM 937 CB LEU A 60 32.116 27.649 36.185 1.00 0.00 C ATOM 938 CG LEU A 60 31.420 28.366 35.021 1.00 0.00 C ATOM 939 CD1 LEU A 60 32.441 28.667 33.922 1.00 0.00 C ATOM 940 CD2 LEU A 60 30.288 27.553 34.389 1.00 0.00 C ATOM 0 H LEU A 60 31.150 29.216 37.841 1.00 0.00 H new ATOM 0 HA LEU A 60 30.338 26.636 36.961 1.00 0.00 H new ATOM 0 HB2 LEU A 60 32.875 28.316 36.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.637 26.777 35.789 1.00 0.00 H new ATOM 0 HG LEU A 60 30.988 29.274 35.443 1.00 0.00 H new ATOM 0 HD11 LEU A 60 31.946 29.176 33.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 33.229 29.305 34.322 1.00 0.00 H new ATOM 0 HD13 LEU A 60 32.877 27.734 33.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.842 28.123 33.573 1.00 0.00 H new ATOM 0 HD22 LEU A 60 30.686 26.615 34.002 1.00 0.00 H new ATOM 0 HD23 LEU A 60 29.528 27.341 35.141 1.00 0.00 H new ATOM 952 N PRO A 61 31.872 24.882 38.034 1.00 0.00 N ATOM 953 CA PRO A 61 32.758 23.886 38.657 1.00 0.00 C ATOM 954 C PRO A 61 34.177 23.919 38.046 1.00 0.00 C ATOM 955 O PRO A 61 35.109 23.293 38.556 1.00 0.00 O ATOM 956 CB PRO A 61 32.076 22.540 38.380 1.00 0.00 C ATOM 957 CG PRO A 61 31.366 22.758 37.047 1.00 0.00 C ATOM 958 CD PRO A 61 30.945 24.226 37.117 1.00 0.00 C ATOM 0 HA PRO A 61 32.895 24.077 39.721 1.00 0.00 H new ATOM 0 HB2 PRO A 61 32.802 21.729 38.319 1.00 0.00 H new ATOM 0 HB3 PRO A 61 31.372 22.278 39.170 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.027 22.568 36.202 1.00 0.00 H new ATOM 0 HG3 PRO A 61 30.507 22.097 36.935 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.984 24.688 36.130 1.00 0.00 H new ATOM 0 HD3 PRO A 61 29.919 24.318 37.472 1.00 0.00 H new ATOM 966 N ASN A 62 34.321 24.624 36.917 1.00 0.00 N ATOM 967 CA ASN A 62 35.482 24.637 36.043 1.00 0.00 C ATOM 968 C ASN A 62 36.328 25.925 36.196 1.00 0.00 C ATOM 969 O ASN A 62 36.857 26.151 37.287 1.00 0.00 O ATOM 970 CB ASN A 62 35.002 24.266 34.625 1.00 0.00 C ATOM 971 CG ASN A 62 34.415 22.855 34.555 1.00 0.00 C ATOM 972 OD1 ASN A 62 34.842 21.927 35.231 1.00 0.00 O ATOM 973 ND2 ASN A 62 33.390 22.650 33.765 1.00 0.00 N ATOM 0 H ASN A 62 33.579 25.236 36.576 1.00 0.00 H new ATOM 0 HA ASN A 62 36.214 23.881 36.328 1.00 0.00 H new ATOM 0 HB2 ASN A 62 34.250 24.985 34.300 1.00 0.00 H new ATOM 0 HB3 ASN A 62 35.838 24.343 33.930 1.00 0.00 H new ATOM 0 HD21 ASN A 62 32.958 21.727 33.719 1.00 0.00 H new ATOM 0 HD22 ASN A 62 33.024 23.413 33.196 1.00 0.00 H new ATOM 980 N LYS A 63 36.462 26.769 35.159 1.00 0.00 N ATOM 981 CA LYS A 63 37.488 27.844 35.122 1.00 0.00 C ATOM 982 C LYS A 63 37.016 29.303 35.218 1.00 0.00 C ATOM 983 O LYS A 63 36.018 29.713 34.613 1.00 0.00 O ATOM 984 CB LYS A 63 38.400 27.615 33.904 1.00 0.00 C ATOM 985 CG LYS A 63 39.639 28.531 33.838 1.00 0.00 C ATOM 986 CD LYS A 63 40.688 28.018 32.841 1.00 0.00 C ATOM 987 CE LYS A 63 40.190 28.111 31.395 1.00 0.00 C ATOM 988 NZ LYS A 63 41.018 27.310 30.465 1.00 0.00 N1+ ATOM 0 H LYS A 63 35.873 26.733 34.327 1.00 0.00 H new ATOM 0 HA LYS A 63 38.029 27.740 36.063 1.00 0.00 H new ATOM 0 HB2 LYS A 63 38.733 26.577 33.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 37.813 27.757 32.997 1.00 0.00 H new ATOM 0 HG2 LYS A 63 39.330 29.537 33.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 40.087 28.604 34.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 41.605 28.597 32.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 40.936 26.983 33.074 1.00 0.00 H new ATOM 0 HE2 LYS A 63 39.157 27.768 31.346 1.00 0.00 H new ATOM 0 HE3 LYS A 63 40.195 29.154 31.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 40.644 27.403 29.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 41.999 27.653 30.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 40.993 26.310 30.751 1.00 0.00 H new ATOM 1002 N ARG A 64 37.798 30.104 35.951 1.00 0.00 N ATOM 1003 CA ARG A 64 37.758 31.576 36.007 1.00 0.00 C ATOM 1004 C ARG A 64 38.549 32.107 34.806 1.00 0.00 C ATOM 1005 O ARG A 64 39.769 31.964 34.776 1.00 0.00 O ATOM 1006 CB ARG A 64 38.381 32.055 37.339 1.00 0.00 C ATOM 1007 CG ARG A 64 37.568 31.652 38.583 1.00 0.00 C ATOM 1008 CD ARG A 64 36.284 32.484 38.731 1.00 0.00 C ATOM 1009 NE ARG A 64 35.142 31.683 39.202 1.00 0.00 N ATOM 1010 CZ ARG A 64 34.893 31.262 40.429 1.00 0.00 C ATOM 1011 NH1 ARG A 64 35.655 31.531 41.450 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 33.829 30.556 40.651 1.00 0.00 N ATOM 0 H ARG A 64 38.521 29.721 36.560 1.00 0.00 H new ATOM 0 HA ARG A 64 36.734 31.947 35.964 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.388 31.647 37.426 1.00 0.00 H new ATOM 0 HB3 ARG A 64 38.478 33.140 37.315 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.309 30.595 38.519 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.184 31.776 39.474 1.00 0.00 H new ATOM 0 HD2 ARG A 64 36.463 33.301 39.430 1.00 0.00 H new ATOM 0 HD3 ARG A 64 36.035 32.935 37.771 1.00 0.00 H new ATOM 0 HE ARG A 64 34.458 31.420 38.492 1.00 0.00 H new ATOM 0 HH11 ARG A 64 36.496 32.095 41.324 1.00 0.00 H new ATOM 0 HH12 ARG A 64 35.411 31.178 42.375 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.196 30.332 39.883 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.624 30.224 41.594 1.00 0.00 H new ATOM 1026 N CYS A 65 37.881 32.643 33.785 1.00 0.00 N ATOM 1027 CA CYS A 65 38.531 32.953 32.503 1.00 0.00 C ATOM 1028 C CYS A 65 39.588 34.069 32.597 1.00 0.00 C ATOM 1029 O CYS A 65 39.433 35.000 33.396 1.00 0.00 O ATOM 1030 CB CYS A 65 37.481 33.284 31.438 1.00 0.00 C ATOM 1031 SG CYS A 65 38.138 33.115 29.760 1.00 0.00 S ATOM 0 H CYS A 65 36.888 32.874 33.817 1.00 0.00 H new ATOM 0 HA CYS A 65 39.074 32.054 32.210 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.622 32.624 31.559 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.123 34.303 31.586 1.00 0.00 H new ATOM 1036 N LYS A 66 40.632 33.988 31.756 1.00 0.00 N ATOM 1037 CA LYS A 66 41.696 34.999 31.601 1.00 0.00 C ATOM 1038 C LYS A 66 41.164 36.412 31.294 1.00 0.00 C ATOM 1039 O LYS A 66 40.086 36.591 30.730 1.00 0.00 O ATOM 1040 CB LYS A 66 42.713 34.533 30.533 1.00 0.00 C ATOM 1041 CG LYS A 66 42.137 34.425 29.104 1.00 0.00 C ATOM 1042 CD LYS A 66 43.191 34.051 28.046 1.00 0.00 C ATOM 1043 CE LYS A 66 44.136 35.221 27.732 1.00 0.00 C ATOM 1044 NZ LYS A 66 45.153 34.865 26.712 1.00 0.00 N1+ ATOM 0 H LYS A 66 40.765 33.186 31.140 1.00 0.00 H new ATOM 0 HA LYS A 66 42.198 35.084 32.565 1.00 0.00 H new ATOM 0 HB2 LYS A 66 43.552 35.228 30.521 1.00 0.00 H new ATOM 0 HB3 LYS A 66 43.109 33.561 30.826 1.00 0.00 H new ATOM 0 HG2 LYS A 66 41.344 33.678 29.096 1.00 0.00 H new ATOM 0 HG3 LYS A 66 41.681 35.377 28.831 1.00 0.00 H new ATOM 0 HD2 LYS A 66 43.773 33.200 28.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 42.689 33.735 27.131 1.00 0.00 H new ATOM 0 HE2 LYS A 66 43.553 36.072 27.379 1.00 0.00 H new ATOM 0 HE3 LYS A 66 44.637 35.536 28.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 45.767 35.685 26.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 45.728 34.071 27.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 44.677 34.590 25.829 1.00 0.00 H new HETATM 1058 N NH2 A 67 41.928 37.431 31.642 1.00 0.00 N TER 1061 NH2 A 67