USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0.256 USER MOD Set 1.2: A 50 HIS : no HD1:sc=-0.00166 X(o=0.25,f=0.26) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc=-0.00835 USER MOD Single : A 1 LYS N :NH3+ -156:sc= 0.966 (180deg=0.588) USER MOD Single : A 1 LYS NZ :NH3+ -168:sc= 2.16 (180deg=1.89) USER MOD Single : A 4 TYR OH : rot 90:sc= -0.17 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00103) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.928) USER MOD Single : A 14 TYR OH : 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= 1.16 K(o=1.2,f=-4.6!) USER MOD Single : A 24 TYR OH : rot 86:sc= 1.56 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.022) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 37 SER OG : rot -60:sc= 1.26 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 110:sc= 0.0888 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00291 USER MOD Single : A 66 ASN : amide:sc= 0.16 K(o=0.16,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.622 32.733 38.146 1.00 0.00 N ATOM 2 CA LYS A 1 26.009 32.270 37.920 1.00 0.00 C ATOM 3 C LYS A 1 26.221 31.943 36.438 1.00 0.00 C ATOM 4 O LYS A 1 25.269 31.536 35.779 1.00 0.00 O ATOM 5 CB LYS A 1 26.284 31.055 38.827 1.00 0.00 C ATOM 6 CG LYS A 1 27.763 30.689 39.016 1.00 0.00 C ATOM 7 CD LYS A 1 27.886 29.423 39.875 1.00 0.00 C ATOM 8 CE LYS A 1 29.310 29.226 40.397 1.00 0.00 C ATOM 9 NZ LYS A 1 29.365 28.120 41.381 1.00 0.00 N ATOM 0 H1 LYS A 1 24.587 33.319 39.005 1.00 0.00 H new ATOM 0 H2 LYS A 1 24.307 33.296 37.330 1.00 0.00 H new ATOM 0 H3 LYS A 1 23.996 31.911 38.262 1.00 0.00 H new ATOM 0 HA LYS A 1 26.718 33.057 38.178 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.848 31.250 39.807 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.764 30.191 38.413 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.233 30.527 38.046 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.292 31.514 39.492 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.196 29.486 40.716 1.00 0.00 H new ATOM 0 HD3 LYS A 1 27.591 28.554 39.286 1.00 0.00 H new ATOM 0 HE2 LYS A 1 29.980 29.011 39.565 1.00 0.00 H new ATOM 0 HE3 LYS A 1 29.662 30.148 40.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.283 28.135 41.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 28.601 28.236 42.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.249 27.211 40.889 1.00 0.00 H new ATOM 25 N GLU A 2 27.438 32.058 35.908 1.00 0.00 N ATOM 26 CA GLU A 2 27.826 31.563 34.570 1.00 0.00 C ATOM 27 C GLU A 2 29.160 30.796 34.601 1.00 0.00 C ATOM 28 O GLU A 2 30.007 31.053 35.458 1.00 0.00 O ATOM 29 CB GLU A 2 27.883 32.705 33.537 1.00 0.00 C ATOM 30 CG GLU A 2 28.897 33.807 33.876 1.00 0.00 C ATOM 31 CD GLU A 2 29.026 34.864 32.775 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.106 34.516 31.569 1.00 0.00 O ATOM 33 OE2 GLU A 2 29.160 36.065 33.124 1.00 0.00 O ATOM 0 H GLU A 2 28.208 32.508 36.403 1.00 0.00 H new ATOM 0 HA GLU A 2 27.049 30.863 34.261 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.130 32.286 32.562 1.00 0.00 H new ATOM 0 HB3 GLU A 2 26.893 33.152 33.450 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.599 34.293 34.805 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.872 33.353 34.052 1.00 0.00 H new ATOM 40 N GLY A 3 29.363 29.866 33.663 1.00 0.00 N ATOM 41 CA GLY A 3 30.608 29.097 33.561 1.00 0.00 C ATOM 42 C GLY A 3 30.546 27.908 32.598 1.00 0.00 C ATOM 43 O GLY A 3 29.560 27.707 31.884 1.00 0.00 O ATOM 0 H GLY A 3 28.671 29.625 32.954 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.407 29.765 33.241 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.876 28.731 34.552 1.00 0.00 H new ATOM 47 N TYR A 4 31.617 27.114 32.588 1.00 0.00 N ATOM 48 CA TYR A 4 31.784 25.933 31.733 1.00 0.00 C ATOM 49 C TYR A 4 30.819 24.780 32.080 1.00 0.00 C ATOM 50 O TYR A 4 30.546 24.515 33.257 1.00 0.00 O ATOM 51 CB TYR A 4 33.244 25.472 31.817 1.00 0.00 C ATOM 52 CG TYR A 4 33.543 24.248 30.975 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.755 24.378 29.589 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.525 22.970 31.566 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.946 23.227 28.799 1.00 0.00 C ATOM 56 CE2 TYR A 4 33.744 21.823 30.783 1.00 0.00 C ATOM 57 CZ TYR A 4 33.941 21.952 29.396 1.00 0.00 C ATOM 58 OH TYR A 4 34.108 20.847 28.629 1.00 0.00 O ATOM 0 H TYR A 4 32.420 27.279 33.194 1.00 0.00 H new ATOM 0 HA TYR A 4 31.532 26.221 30.712 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.893 26.288 31.500 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.489 25.256 32.857 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.771 25.357 29.133 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.342 22.870 32.626 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.096 23.323 27.734 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.761 20.847 31.244 1.00 0.00 H new ATOM 0 HH TYR A 4 35.063 20.634 28.565 1.00 0.00 H new ATOM 68 N LEU A 5 30.340 24.060 31.057 1.00 0.00 N ATOM 69 CA LEU A 5 29.381 22.956 31.183 1.00 0.00 C ATOM 70 C LEU A 5 30.054 21.611 31.536 1.00 0.00 C ATOM 71 O LEU A 5 30.742 21.005 30.716 1.00 0.00 O ATOM 72 CB LEU A 5 28.534 22.889 29.894 1.00 0.00 C ATOM 73 CG LEU A 5 27.420 21.820 29.901 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.520 21.924 31.129 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.553 21.942 28.644 1.00 0.00 C ATOM 0 H LEU A 5 30.617 24.235 30.091 1.00 0.00 H new ATOM 0 HA LEU A 5 28.721 23.154 32.028 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.079 23.865 29.725 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.197 22.696 29.051 1.00 0.00 H new ATOM 0 HG LEU A 5 27.920 20.852 29.925 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.754 21.150 31.085 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.118 21.792 32.031 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.045 22.905 31.150 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.773 21.181 28.665 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.095 22.931 28.612 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.173 21.801 27.759 1.00 0.00 H new ATOM 87 N VAL A 6 29.811 21.126 32.758 1.00 0.00 N ATOM 88 CA VAL A 6 30.352 19.864 33.304 1.00 0.00 C ATOM 89 C VAL A 6 29.280 19.086 34.093 1.00 0.00 C ATOM 90 O VAL A 6 28.317 19.680 34.593 1.00 0.00 O ATOM 91 CB VAL A 6 31.624 20.172 34.131 1.00 0.00 C ATOM 92 CG1 VAL A 6 31.348 20.920 35.440 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.455 18.925 34.442 1.00 0.00 C ATOM 0 H VAL A 6 29.211 21.615 33.423 1.00 0.00 H new ATOM 0 HA VAL A 6 30.641 19.202 32.488 1.00 0.00 H new ATOM 0 HB VAL A 6 32.197 20.829 33.477 1.00 0.00 H new ATOM 0 HG11 VAL A 6 32.288 21.099 35.962 1.00 0.00 H new ATOM 0 HG12 VAL A 6 30.868 21.874 35.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 30.691 20.320 36.070 1.00 0.00 H new ATOM 0 HG21 VAL A 6 33.332 19.208 35.024 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.852 18.220 35.014 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.773 18.458 33.510 1.00 0.00 H new ATOM 103 N SER A 7 29.413 17.758 34.201 1.00 0.00 N ATOM 104 CA SER A 7 28.532 16.883 34.997 1.00 0.00 C ATOM 105 C SER A 7 29.324 15.898 35.858 1.00 0.00 C ATOM 106 O SER A 7 30.241 15.225 35.377 1.00 0.00 O ATOM 107 CB SER A 7 27.565 16.104 34.099 1.00 0.00 C ATOM 108 OG SER A 7 26.862 15.142 34.868 1.00 0.00 O ATOM 0 H SER A 7 30.155 17.245 33.726 1.00 0.00 H new ATOM 0 HA SER A 7 27.964 17.539 35.657 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.861 16.789 33.626 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.116 15.610 33.298 1.00 0.00 H new ATOM 0 HG SER A 7 26.244 14.648 34.289 1.00 0.00 H new ATOM 114 N LYS A 8 28.921 15.754 37.125 1.00 0.00 N ATOM 115 CA LYS A 8 29.585 14.912 38.136 1.00 0.00 C ATOM 116 C LYS A 8 29.562 13.409 37.814 1.00 0.00 C ATOM 117 O LYS A 8 30.400 12.664 38.324 1.00 0.00 O ATOM 118 CB LYS A 8 28.937 15.221 39.499 1.00 0.00 C ATOM 119 CG LYS A 8 29.950 15.150 40.649 1.00 0.00 C ATOM 120 CD LYS A 8 29.318 15.514 42.002 1.00 0.00 C ATOM 121 CE LYS A 8 28.351 14.446 42.536 1.00 0.00 C ATOM 122 NZ LYS A 8 29.065 13.241 43.020 1.00 0.00 N ATOM 0 H LYS A 8 28.098 16.234 37.490 1.00 0.00 H new ATOM 0 HA LYS A 8 30.647 15.159 38.149 1.00 0.00 H new ATOM 0 HB2 LYS A 8 28.491 16.215 39.471 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.129 14.514 39.684 1.00 0.00 H new ATOM 0 HG2 LYS A 8 30.366 14.144 40.703 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.779 15.827 40.443 1.00 0.00 H new ATOM 0 HD2 LYS A 8 30.111 15.673 42.733 1.00 0.00 H new ATOM 0 HD3 LYS A 8 28.783 16.459 41.902 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.759 14.867 43.349 1.00 0.00 H new ATOM 0 HE3 LYS A 8 27.654 14.162 41.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 28.376 12.553 43.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 29.596 12.814 42.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 29.724 13.509 43.778 1.00 0.00 H new ATOM 136 N SER A 9 28.650 12.978 36.931 1.00 0.00 N ATOM 137 CA SER A 9 28.472 11.576 36.511 1.00 0.00 C ATOM 138 C SER A 9 29.091 11.229 35.144 1.00 0.00 C ATOM 139 O SER A 9 29.284 10.047 34.846 1.00 0.00 O ATOM 140 CB SER A 9 26.976 11.229 36.463 1.00 0.00 C ATOM 141 OG SER A 9 26.319 11.504 37.690 1.00 0.00 O ATOM 0 H SER A 9 27.995 13.613 36.474 1.00 0.00 H new ATOM 0 HA SER A 9 29.004 10.987 37.258 1.00 0.00 H new ATOM 0 HB2 SER A 9 26.499 11.796 35.663 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.858 10.173 36.219 1.00 0.00 H new ATOM 0 HG SER A 9 25.371 11.270 37.613 1.00 0.00 H new ATOM 147 N THR A 10 29.368 12.219 34.285 1.00 0.00 N ATOM 148 CA THR A 10 29.732 11.999 32.861 1.00 0.00 C ATOM 149 C THR A 10 30.853 12.914 32.330 1.00 0.00 C ATOM 150 O THR A 10 31.213 12.846 31.147 1.00 0.00 O ATOM 151 CB THR A 10 28.493 12.112 31.958 1.00 0.00 C ATOM 152 OG1 THR A 10 27.877 13.360 32.147 1.00 0.00 O ATOM 153 CG2 THR A 10 27.408 11.076 32.253 1.00 0.00 C ATOM 0 H THR A 10 29.348 13.204 34.551 1.00 0.00 H new ATOM 0 HA THR A 10 30.134 10.986 32.828 1.00 0.00 H new ATOM 0 HB THR A 10 28.871 11.960 30.947 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.089 13.427 31.568 1.00 0.00 H new ATOM 0 HG21 THR A 10 26.569 11.224 31.573 1.00 0.00 H new ATOM 0 HG22 THR A 10 27.814 10.074 32.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 27.066 11.190 33.282 1.00 0.00 H new ATOM 161 N GLY A 11 31.446 13.741 33.195 1.00 0.00 N ATOM 162 CA GLY A 11 32.639 14.540 32.915 1.00 0.00 C ATOM 163 C GLY A 11 32.379 15.871 32.201 1.00 0.00 C ATOM 164 O GLY A 11 31.290 16.449 32.264 1.00 0.00 O ATOM 0 H GLY A 11 31.095 13.876 34.143 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.149 14.744 33.856 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.320 13.946 32.306 1.00 0.00 H new ATOM 168 N CYS A 12 33.411 16.358 31.513 1.00 0.00 N ATOM 169 CA CYS A 12 33.381 17.561 30.679 1.00 0.00 C ATOM 170 C CYS A 12 32.606 17.341 29.366 1.00 0.00 C ATOM 171 O CYS A 12 32.453 16.200 28.912 1.00 0.00 O ATOM 172 CB CYS A 12 34.833 17.967 30.386 1.00 0.00 C ATOM 173 SG CYS A 12 35.771 18.582 31.809 1.00 0.00 S ATOM 0 H CYS A 12 34.327 15.909 31.521 1.00 0.00 H new ATOM 0 HA CYS A 12 32.858 18.353 31.215 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.357 17.105 29.972 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.828 18.738 29.615 1.00 0.00 H new ATOM 178 N LYS A 13 32.183 18.436 28.726 1.00 0.00 N ATOM 179 CA LYS A 13 31.737 18.474 27.320 1.00 0.00 C ATOM 180 C LYS A 13 32.936 18.475 26.359 1.00 0.00 C ATOM 181 O LYS A 13 34.084 18.470 26.802 1.00 0.00 O ATOM 182 CB LYS A 13 30.838 19.712 27.133 1.00 0.00 C ATOM 183 CG LYS A 13 29.503 19.611 27.887 1.00 0.00 C ATOM 184 CD LYS A 13 28.510 18.616 27.269 1.00 0.00 C ATOM 185 CE LYS A 13 27.302 18.416 28.183 1.00 0.00 C ATOM 186 NZ LYS A 13 26.380 17.394 27.640 1.00 0.00 N ATOM 0 H LYS A 13 32.138 19.348 29.180 1.00 0.00 H new ATOM 0 HA LYS A 13 31.162 17.579 27.083 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.374 20.597 27.474 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.638 19.850 26.070 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.701 19.318 28.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.040 20.597 27.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.179 18.982 26.297 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.005 17.660 27.099 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.640 18.114 29.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.772 19.361 28.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.694 17.121 28.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.873 17.784 26.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.923 16.558 27.345 1.00 0.00 H new ATOM 200 N TYR A 14 32.690 18.479 25.048 1.00 0.00 N ATOM 201 CA TYR A 14 33.736 18.543 24.014 1.00 0.00 C ATOM 202 C TYR A 14 33.661 19.841 23.195 1.00 0.00 C ATOM 203 O TYR A 14 32.717 20.622 23.335 1.00 0.00 O ATOM 204 CB TYR A 14 33.759 17.247 23.183 1.00 0.00 C ATOM 205 CG TYR A 14 32.699 17.079 22.110 1.00 0.00 C ATOM 206 CD1 TYR A 14 32.952 17.541 20.804 1.00 0.00 C ATOM 207 CD2 TYR A 14 31.514 16.365 22.379 1.00 0.00 C ATOM 208 CE1 TYR A 14 32.040 17.274 19.766 1.00 0.00 C ATOM 209 CE2 TYR A 14 30.591 16.107 21.344 1.00 0.00 C ATOM 210 CZ TYR A 14 30.860 16.545 20.029 1.00 0.00 C ATOM 211 OH TYR A 14 29.997 16.249 19.018 1.00 0.00 O ATOM 0 H TYR A 14 31.746 18.437 24.664 1.00 0.00 H new ATOM 0 HA TYR A 14 34.711 18.596 24.499 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.736 17.173 22.705 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.676 16.406 23.871 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.851 18.103 20.598 1.00 0.00 H new ATOM 0 HD2 TYR A 14 31.312 16.014 23.380 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.243 17.628 18.766 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.677 15.573 21.558 1.00 0.00 H new ATOM 0 HH TYR A 14 29.238 15.742 19.374 1.00 0.00 H new ATOM 221 N GLU A 15 34.700 20.137 22.416 1.00 0.00 N ATOM 222 CA GLU A 15 34.879 21.450 21.777 1.00 0.00 C ATOM 223 C GLU A 15 33.838 21.800 20.689 1.00 0.00 C ATOM 224 O GLU A 15 33.261 20.931 20.023 1.00 0.00 O ATOM 225 CB GLU A 15 36.319 21.584 21.249 1.00 0.00 C ATOM 226 CG GLU A 15 36.574 20.771 19.972 1.00 0.00 C ATOM 227 CD GLU A 15 38.052 20.782 19.571 1.00 0.00 C ATOM 228 OE1 GLU A 15 38.586 21.851 19.182 1.00 0.00 O ATOM 229 OE2 GLU A 15 38.711 19.715 19.651 1.00 0.00 O ATOM 0 H GLU A 15 35.447 19.474 22.206 1.00 0.00 H new ATOM 0 HA GLU A 15 34.700 22.189 22.558 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.530 22.635 21.051 1.00 0.00 H new ATOM 0 HB3 GLU A 15 37.014 21.260 22.023 1.00 0.00 H new ATOM 0 HG2 GLU A 15 36.248 19.742 20.126 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.974 21.177 19.158 1.00 0.00 H new ATOM 236 N CYS A 16 33.647 23.100 20.470 1.00 0.00 N ATOM 237 CA CYS A 16 32.930 23.675 19.333 1.00 0.00 C ATOM 238 C CYS A 16 33.802 23.734 18.065 1.00 0.00 C ATOM 239 O CYS A 16 35.033 23.811 18.133 1.00 0.00 O ATOM 240 CB CYS A 16 32.485 25.106 19.670 1.00 0.00 C ATOM 241 SG CYS A 16 31.411 25.340 21.108 1.00 0.00 S ATOM 0 H CYS A 16 34.003 23.812 21.108 1.00 0.00 H new ATOM 0 HA CYS A 16 32.073 23.030 19.139 1.00 0.00 H new ATOM 0 HB2 CYS A 16 33.381 25.709 19.820 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.970 25.511 18.798 1.00 0.00 H new ATOM 246 N LEU A 17 33.156 23.823 16.901 1.00 0.00 N ATOM 247 CA LEU A 17 33.740 24.315 15.647 1.00 0.00 C ATOM 248 C LEU A 17 33.132 25.675 15.234 1.00 0.00 C ATOM 249 O LEU A 17 33.840 26.511 14.666 1.00 0.00 O ATOM 250 CB LEU A 17 33.590 23.227 14.567 1.00 0.00 C ATOM 251 CG LEU A 17 34.407 23.490 13.287 1.00 0.00 C ATOM 252 CD1 LEU A 17 35.921 23.484 13.520 1.00 0.00 C ATOM 253 CD2 LEU A 17 34.095 22.431 12.235 1.00 0.00 C ATOM 0 H LEU A 17 32.180 23.546 16.799 1.00 0.00 H new ATOM 0 HA LEU A 17 34.804 24.509 15.784 1.00 0.00 H new ATOM 0 HB2 LEU A 17 33.894 22.269 14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 17 32.537 23.138 14.300 1.00 0.00 H new ATOM 0 HG LEU A 17 34.116 24.486 12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 17 36.435 23.675 12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 17 36.181 24.260 14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 36.225 22.512 13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 17 34.679 22.628 11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 17 34.350 21.445 12.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.033 22.461 11.992 1.00 0.00 H new ATOM 265 N LYS A 18 31.867 25.948 15.586 1.00 0.00 N ATOM 266 CA LYS A 18 31.235 27.279 15.453 1.00 0.00 C ATOM 267 C LYS A 18 31.626 28.246 16.586 1.00 0.00 C ATOM 268 O LYS A 18 32.264 27.848 17.566 1.00 0.00 O ATOM 269 CB LYS A 18 29.709 27.117 15.288 1.00 0.00 C ATOM 270 CG LYS A 18 28.960 26.719 16.577 1.00 0.00 C ATOM 271 CD LYS A 18 27.512 26.284 16.297 1.00 0.00 C ATOM 272 CE LYS A 18 26.642 27.456 15.828 1.00 0.00 C ATOM 273 NZ LYS A 18 25.296 27.009 15.405 1.00 0.00 N ATOM 0 H LYS A 18 31.241 25.244 15.977 1.00 0.00 H new ATOM 0 HA LYS A 18 31.621 27.752 14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.295 28.055 14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.518 26.362 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.493 25.905 17.068 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.957 27.562 17.268 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.508 25.503 15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.082 25.852 17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.546 28.183 16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.133 27.964 14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.739 27.831 15.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.385 26.335 14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.817 26.547 16.204 1.00 0.00 H new ATOM 287 N LEU A 19 31.226 29.514 16.456 1.00 0.00 N ATOM 288 CA LEU A 19 31.359 30.561 17.481 1.00 0.00 C ATOM 289 C LEU A 19 29.988 31.179 17.838 1.00 0.00 C ATOM 290 O LEU A 19 29.053 31.167 17.026 1.00 0.00 O ATOM 291 CB LEU A 19 32.396 31.594 16.984 1.00 0.00 C ATOM 292 CG LEU A 19 32.790 32.708 17.977 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.416 32.160 19.262 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.805 33.644 17.320 1.00 0.00 C ATOM 0 H LEU A 19 30.784 29.856 15.603 1.00 0.00 H new ATOM 0 HA LEU A 19 31.723 30.137 18.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.300 31.058 16.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.004 32.064 16.082 1.00 0.00 H new ATOM 0 HG LEU A 19 31.872 33.233 18.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.673 32.988 19.923 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.704 31.504 19.762 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.317 31.598 19.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.082 34.430 18.022 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.693 33.078 17.039 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.364 34.092 16.430 1.00 0.00 H new ATOM 306 N GLY A 20 29.868 31.723 19.052 1.00 0.00 N ATOM 307 CA GLY A 20 28.627 32.299 19.583 1.00 0.00 C ATOM 308 C GLY A 20 27.650 31.251 20.130 1.00 0.00 C ATOM 309 O GLY A 20 28.064 30.175 20.568 1.00 0.00 O ATOM 0 H GLY A 20 30.647 31.777 19.708 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.874 33.003 20.377 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.133 32.868 18.795 1.00 0.00 H new ATOM 313 N ASP A 21 26.356 31.585 20.125 1.00 0.00 N ATOM 314 CA ASP A 21 25.231 30.722 20.533 1.00 0.00 C ATOM 315 C ASP A 21 25.328 29.310 19.910 1.00 0.00 C ATOM 316 O ASP A 21 25.554 29.182 18.701 1.00 0.00 O ATOM 317 CB ASP A 21 23.923 31.436 20.130 1.00 0.00 C ATOM 318 CG ASP A 21 22.649 30.696 20.546 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.350 30.615 21.760 1.00 0.00 O ATOM 320 OD2 ASP A 21 21.920 30.175 19.669 1.00 0.00 O ATOM 0 H ASP A 21 26.044 32.508 19.823 1.00 0.00 H new ATOM 0 HA ASP A 21 25.256 30.568 21.612 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.913 32.431 20.575 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.914 31.571 19.048 1.00 0.00 H new ATOM 325 N ASN A 22 25.187 28.260 20.730 1.00 0.00 N ATOM 326 CA ASN A 22 25.340 26.861 20.310 1.00 0.00 C ATOM 327 C ASN A 22 24.335 25.920 21.003 1.00 0.00 C ATOM 328 O ASN A 22 24.364 25.724 22.223 1.00 0.00 O ATOM 329 CB ASN A 22 26.798 26.421 20.556 1.00 0.00 C ATOM 330 CG ASN A 22 27.113 25.023 20.042 1.00 0.00 C ATOM 331 OD1 ASN A 22 26.284 24.300 19.509 1.00 0.00 O ATOM 332 ND2 ASN A 22 28.338 24.584 20.173 1.00 0.00 N ATOM 0 H ASN A 22 24.960 28.361 21.719 1.00 0.00 H new ATOM 0 HA ASN A 22 25.115 26.793 19.246 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.469 27.134 20.076 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.004 26.460 21.626 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.586 23.655 19.833 1.00 0.00 H new ATOM 0 HD22 ASN A 22 29.046 25.171 20.615 1.00 0.00 H new ATOM 339 N ASP A 23 23.511 25.270 20.181 1.00 0.00 N ATOM 340 CA ASP A 23 22.508 24.261 20.540 1.00 0.00 C ATOM 341 C ASP A 23 23.053 23.148 21.450 1.00 0.00 C ATOM 342 O ASP A 23 22.388 22.774 22.414 1.00 0.00 O ATOM 343 CB ASP A 23 22.012 23.690 19.206 1.00 0.00 C ATOM 344 CG ASP A 23 21.091 22.481 19.310 1.00 0.00 C ATOM 345 OD1 ASP A 23 19.870 22.673 19.493 1.00 0.00 O ATOM 346 OD2 ASP A 23 21.586 21.343 19.120 1.00 0.00 O ATOM 0 H ASP A 23 23.526 25.445 19.176 1.00 0.00 H new ATOM 0 HA ASP A 23 21.709 24.718 21.124 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.488 24.478 18.666 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.878 23.414 18.605 1.00 0.00 H new ATOM 351 N TYR A 24 24.284 22.680 21.205 1.00 0.00 N ATOM 352 CA TYR A 24 24.958 21.639 21.995 1.00 0.00 C ATOM 353 C TYR A 24 25.073 21.988 23.491 1.00 0.00 C ATOM 354 O TYR A 24 24.990 21.099 24.340 1.00 0.00 O ATOM 355 CB TYR A 24 26.346 21.399 21.376 1.00 0.00 C ATOM 356 CG TYR A 24 27.259 20.463 22.152 1.00 0.00 C ATOM 357 CD1 TYR A 24 26.897 19.116 22.339 1.00 0.00 C ATOM 358 CD2 TYR A 24 28.467 20.945 22.696 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.723 18.254 23.085 1.00 0.00 C ATOM 360 CE2 TYR A 24 29.306 20.082 23.426 1.00 0.00 C ATOM 361 CZ TYR A 24 28.930 18.738 23.633 1.00 0.00 C ATOM 362 OH TYR A 24 29.712 17.919 24.383 1.00 0.00 O ATOM 0 H TYR A 24 24.854 23.023 20.432 1.00 0.00 H new ATOM 0 HA TYR A 24 24.354 20.732 21.958 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.212 20.996 20.372 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.848 22.361 21.269 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.980 18.741 21.908 1.00 0.00 H new ATOM 0 HD2 TYR A 24 28.749 21.978 22.553 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.434 17.225 23.238 1.00 0.00 H new ATOM 0 HE2 TYR A 24 30.239 20.449 23.828 1.00 0.00 H new ATOM 0 HH TYR A 24 30.313 17.414 23.797 1.00 0.00 H new ATOM 372 N CYS A 25 25.206 23.276 23.820 1.00 0.00 N ATOM 373 CA CYS A 25 25.254 23.766 25.198 1.00 0.00 C ATOM 374 C CYS A 25 23.843 24.018 25.755 1.00 0.00 C ATOM 375 O CYS A 25 23.491 23.545 26.839 1.00 0.00 O ATOM 376 CB CYS A 25 26.113 25.040 25.224 1.00 0.00 C ATOM 377 SG CYS A 25 27.825 24.805 24.676 1.00 0.00 S ATOM 0 H CYS A 25 25.284 24.018 23.125 1.00 0.00 H new ATOM 0 HA CYS A 25 25.703 23.011 25.843 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.643 25.793 24.591 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.121 25.437 26.239 1.00 0.00 H new ATOM 382 N LEU A 26 23.006 24.738 24.999 1.00 0.00 N ATOM 383 CA LEU A 26 21.675 25.157 25.450 1.00 0.00 C ATOM 384 C LEU A 26 20.739 23.968 25.705 1.00 0.00 C ATOM 385 O LEU A 26 20.030 23.979 26.711 1.00 0.00 O ATOM 386 CB LEU A 26 21.127 26.179 24.439 1.00 0.00 C ATOM 387 CG LEU A 26 19.699 26.707 24.700 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.539 28.098 24.086 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.619 25.817 24.072 1.00 0.00 C ATOM 0 H LEU A 26 23.234 25.047 24.054 1.00 0.00 H new ATOM 0 HA LEU A 26 21.746 25.640 26.424 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.806 27.031 24.412 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.147 25.724 23.449 1.00 0.00 H new ATOM 0 HG LEU A 26 19.571 26.720 25.782 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.530 28.465 24.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.262 28.779 24.535 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.711 28.043 23.011 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.635 26.234 24.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.767 25.771 22.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.687 24.813 24.490 1.00 0.00 H new ATOM 401 N ARG A 27 20.771 22.926 24.862 1.00 0.00 N ATOM 402 CA ARG A 27 19.861 21.766 24.959 1.00 0.00 C ATOM 403 C ARG A 27 20.065 20.893 26.205 1.00 0.00 C ATOM 404 O ARG A 27 19.201 20.079 26.529 1.00 0.00 O ATOM 405 CB ARG A 27 19.888 20.968 23.643 1.00 0.00 C ATOM 406 CG ARG A 27 21.113 20.055 23.473 1.00 0.00 C ATOM 407 CD ARG A 27 21.262 19.595 22.016 1.00 0.00 C ATOM 408 NE ARG A 27 22.306 18.561 21.879 1.00 0.00 N ATOM 409 CZ ARG A 27 23.139 18.377 20.870 1.00 0.00 C ATOM 410 NH1 ARG A 27 23.220 19.185 19.855 1.00 0.00 N ATOM 411 NH2 ARG A 27 23.948 17.359 20.863 1.00 0.00 N ATOM 0 H ARG A 27 21.432 22.860 24.088 1.00 0.00 H new ATOM 0 HA ARG A 27 18.856 22.162 25.102 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.986 20.359 23.584 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.854 21.668 22.808 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.012 20.587 23.783 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.016 19.186 24.124 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.310 19.202 21.658 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.510 20.450 21.387 1.00 0.00 H new ATOM 0 HE ARG A 27 22.395 17.909 22.658 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.622 20.010 19.811 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.882 18.994 19.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.942 16.697 21.639 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.589 17.222 20.081 1.00 0.00 H new ATOM 425 N GLU A 28 21.158 21.090 26.943 1.00 0.00 N ATOM 426 CA GLU A 28 21.320 20.569 28.306 1.00 0.00 C ATOM 427 C GLU A 28 21.087 21.662 29.360 1.00 0.00 C ATOM 428 O GLU A 28 20.270 21.471 30.259 1.00 0.00 O ATOM 429 CB GLU A 28 22.690 19.892 28.447 1.00 0.00 C ATOM 430 CG GLU A 28 22.853 19.225 29.821 1.00 0.00 C ATOM 431 CD GLU A 28 24.101 18.342 29.864 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.103 17.268 29.211 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.090 18.722 30.531 1.00 0.00 O ATOM 0 H GLU A 28 21.964 21.620 26.611 1.00 0.00 H new ATOM 0 HA GLU A 28 20.557 19.812 28.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.809 19.145 27.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.478 20.631 28.305 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.920 19.991 30.594 1.00 0.00 H new ATOM 0 HG3 GLU A 28 21.971 18.624 30.043 1.00 0.00 H new ATOM 440 N CYS A 29 21.730 22.831 29.247 1.00 0.00 N ATOM 441 CA CYS A 29 21.670 23.872 30.283 1.00 0.00 C ATOM 442 C CYS A 29 20.247 24.384 30.565 1.00 0.00 C ATOM 443 O CYS A 29 19.851 24.486 31.728 1.00 0.00 O ATOM 444 CB CYS A 29 22.609 25.013 29.885 1.00 0.00 C ATOM 445 SG CYS A 29 24.339 24.506 29.963 1.00 0.00 S ATOM 0 H CYS A 29 22.303 23.082 28.441 1.00 0.00 H new ATOM 0 HA CYS A 29 21.996 23.427 31.223 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.372 25.345 28.874 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.449 25.865 30.546 1.00 0.00 H new ATOM 450 N LYS A 30 19.443 24.605 29.516 1.00 0.00 N ATOM 451 CA LYS A 30 18.025 25.002 29.605 1.00 0.00 C ATOM 452 C LYS A 30 17.155 23.954 30.319 1.00 0.00 C ATOM 453 O LYS A 30 16.107 24.291 30.866 1.00 0.00 O ATOM 454 CB LYS A 30 17.547 25.252 28.163 1.00 0.00 C ATOM 455 CG LYS A 30 16.142 25.852 28.034 1.00 0.00 C ATOM 456 CD LYS A 30 15.789 26.014 26.549 1.00 0.00 C ATOM 457 CE LYS A 30 14.339 26.466 26.368 1.00 0.00 C ATOM 458 NZ LYS A 30 13.977 26.516 24.933 1.00 0.00 N ATOM 0 H LYS A 30 19.767 24.511 28.554 1.00 0.00 H new ATOM 0 HA LYS A 30 17.928 25.902 30.213 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.256 25.920 27.673 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.572 24.307 27.620 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.413 25.206 28.524 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.100 26.818 28.536 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.459 26.742 26.091 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.944 25.068 26.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.672 25.781 26.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.202 27.450 26.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.989 26.825 24.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.600 27.187 24.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.087 25.571 24.514 1.00 0.00 H new ATOM 472 N GLN A 31 17.597 22.694 30.342 1.00 0.00 N ATOM 473 CA GLN A 31 16.899 21.548 30.941 1.00 0.00 C ATOM 474 C GLN A 31 17.569 21.034 32.234 1.00 0.00 C ATOM 475 O GLN A 31 17.128 20.032 32.803 1.00 0.00 O ATOM 476 CB GLN A 31 16.735 20.439 29.883 1.00 0.00 C ATOM 477 CG GLN A 31 16.004 20.933 28.622 1.00 0.00 C ATOM 478 CD GLN A 31 15.595 19.786 27.706 1.00 0.00 C ATOM 479 OE1 GLN A 31 14.440 19.377 27.667 1.00 0.00 O ATOM 480 NE2 GLN A 31 16.506 19.221 26.949 1.00 0.00 N ATOM 0 H GLN A 31 18.490 22.431 29.926 1.00 0.00 H new ATOM 0 HA GLN A 31 15.911 21.883 31.257 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.718 20.059 29.604 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.182 19.606 30.317 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.117 21.495 28.915 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.650 21.619 28.075 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.469 19.555 26.975 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.251 18.448 26.335 1.00 0.00 H new ATOM 489 N GLN A 32 18.629 21.695 32.709 1.00 0.00 N ATOM 490 CA GLN A 32 19.294 21.418 33.991 1.00 0.00 C ATOM 491 C GLN A 32 19.173 22.579 34.992 1.00 0.00 C ATOM 492 O GLN A 32 19.190 22.319 36.197 1.00 0.00 O ATOM 493 CB GLN A 32 20.770 21.062 33.734 1.00 0.00 C ATOM 494 CG GLN A 32 20.962 19.650 33.155 1.00 0.00 C ATOM 495 CD GLN A 32 20.684 18.545 34.174 1.00 0.00 C ATOM 496 OE1 GLN A 32 21.235 18.510 35.267 1.00 0.00 O ATOM 497 NE2 GLN A 32 19.851 17.580 33.875 1.00 0.00 N ATOM 0 H GLN A 32 19.064 22.463 32.197 1.00 0.00 H new ATOM 0 HA GLN A 32 18.786 20.571 34.452 1.00 0.00 H new ATOM 0 HB2 GLN A 32 21.198 21.791 33.046 1.00 0.00 H new ATOM 0 HB3 GLN A 32 21.324 21.143 34.669 1.00 0.00 H new ATOM 0 HG2 GLN A 32 20.301 19.521 32.298 1.00 0.00 H new ATOM 0 HG3 GLN A 32 21.983 19.550 32.787 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.375 17.578 32.973 1.00 0.00 H new ATOM 0 HE22 GLN A 32 19.678 16.830 34.544 1.00 0.00 H new ATOM 506 N TYR A 33 19.036 23.825 34.511 1.00 0.00 N ATOM 507 CA TYR A 33 19.035 25.055 35.323 1.00 0.00 C ATOM 508 C TYR A 33 17.862 26.017 35.025 1.00 0.00 C ATOM 509 O TYR A 33 17.792 27.108 35.605 1.00 0.00 O ATOM 510 CB TYR A 33 20.393 25.751 35.150 1.00 0.00 C ATOM 511 CG TYR A 33 21.578 24.865 35.492 1.00 0.00 C ATOM 512 CD1 TYR A 33 21.893 24.616 36.840 1.00 0.00 C ATOM 513 CD2 TYR A 33 22.338 24.262 34.469 1.00 0.00 C ATOM 514 CE1 TYR A 33 22.972 23.775 37.171 1.00 0.00 C ATOM 515 CE2 TYR A 33 23.435 23.440 34.795 1.00 0.00 C ATOM 516 CZ TYR A 33 23.752 23.197 36.148 1.00 0.00 C ATOM 517 OH TYR A 33 24.811 22.413 36.478 1.00 0.00 O ATOM 0 H TYR A 33 18.919 24.011 33.515 1.00 0.00 H new ATOM 0 HA TYR A 33 18.882 24.763 36.362 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.489 26.090 34.119 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.420 26.639 35.781 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.305 25.071 37.623 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.079 24.430 33.434 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.202 23.573 38.207 1.00 0.00 H new ATOM 0 HE2 TYR A 33 24.032 22.997 34.011 1.00 0.00 H new ATOM 0 HH TYR A 33 25.246 22.090 35.661 1.00 0.00 H new ATOM 527 N GLY A 34 16.923 25.606 34.167 1.00 0.00 N ATOM 528 CA GLY A 34 15.687 26.319 33.828 1.00 0.00 C ATOM 529 C GLY A 34 15.712 27.138 32.529 1.00 0.00 C ATOM 530 O GLY A 34 16.762 27.504 31.996 1.00 0.00 O ATOM 0 H GLY A 34 17.009 24.722 33.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.879 25.591 33.758 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.441 26.990 34.651 1.00 0.00 H new ATOM 534 N LYS A 35 14.506 27.458 32.038 1.00 0.00 N ATOM 535 CA LYS A 35 14.197 28.111 30.747 1.00 0.00 C ATOM 536 C LYS A 35 14.912 29.439 30.464 1.00 0.00 C ATOM 537 O LYS A 35 14.974 29.847 29.307 1.00 0.00 O ATOM 538 CB LYS A 35 12.665 28.289 30.635 1.00 0.00 C ATOM 539 CG LYS A 35 12.064 29.191 31.733 1.00 0.00 C ATOM 540 CD LYS A 35 10.532 29.254 31.673 1.00 0.00 C ATOM 541 CE LYS A 35 10.018 30.100 32.847 1.00 0.00 C ATOM 542 NZ LYS A 35 8.542 30.061 32.963 1.00 0.00 N ATOM 0 H LYS A 35 13.657 27.255 32.566 1.00 0.00 H new ATOM 0 HA LYS A 35 14.590 27.441 29.982 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.428 28.712 29.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.190 27.309 30.682 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.370 28.820 32.711 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.469 30.198 31.633 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.210 29.689 30.727 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.112 28.249 31.721 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.463 29.739 33.774 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.343 31.132 32.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.242 30.646 33.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.115 30.430 32.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.231 29.080 33.113 1.00 0.00 H new ATOM 556 N SER A 36 15.435 30.117 31.485 1.00 0.00 N ATOM 557 CA SER A 36 16.157 31.395 31.373 1.00 0.00 C ATOM 558 C SER A 36 17.647 31.258 31.015 1.00 0.00 C ATOM 559 O SER A 36 18.290 32.261 30.697 1.00 0.00 O ATOM 560 CB SER A 36 15.966 32.218 32.658 1.00 0.00 C ATOM 561 OG SER A 36 16.005 31.413 33.832 1.00 0.00 O ATOM 0 H SER A 36 15.368 29.785 32.447 1.00 0.00 H new ATOM 0 HA SER A 36 15.716 31.921 30.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.744 32.979 32.717 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.011 32.741 32.612 1.00 0.00 H new ATOM 0 HG SER A 36 15.881 31.980 34.622 1.00 0.00 H new ATOM 567 N SER A 37 18.205 30.043 31.041 1.00 0.00 N ATOM 568 CA SER A 37 19.619 29.793 30.732 1.00 0.00 C ATOM 569 C SER A 37 19.893 29.753 29.228 1.00 0.00 C ATOM 570 O SER A 37 19.160 29.122 28.463 1.00 0.00 O ATOM 571 CB SER A 37 20.093 28.494 31.390 1.00 0.00 C ATOM 572 OG SER A 37 20.284 28.725 32.772 1.00 0.00 O ATOM 0 H SER A 37 17.685 29.198 31.279 1.00 0.00 H new ATOM 0 HA SER A 37 20.183 30.631 31.141 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.358 27.704 31.238 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.023 28.157 30.932 1.00 0.00 H new ATOM 0 HG SER A 37 20.962 29.421 32.897 1.00 0.00 H new ATOM 578 N GLY A 38 20.977 30.404 28.807 1.00 0.00 N ATOM 579 CA GLY A 38 21.559 30.262 27.472 1.00 0.00 C ATOM 580 C GLY A 38 22.744 29.292 27.456 1.00 0.00 C ATOM 581 O GLY A 38 23.146 28.751 28.491 1.00 0.00 O ATOM 0 H GLY A 38 21.487 31.060 29.398 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.794 29.909 26.780 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.886 31.238 27.115 1.00 0.00 H new ATOM 585 N GLY A 39 23.306 29.079 26.266 1.00 0.00 N ATOM 586 CA GLY A 39 24.466 28.212 26.050 1.00 0.00 C ATOM 587 C GLY A 39 25.218 28.577 24.769 1.00 0.00 C ATOM 588 O GLY A 39 24.620 28.634 23.691 1.00 0.00 O ATOM 0 H GLY A 39 22.962 29.512 25.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.141 28.289 26.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.139 27.174 25.996 1.00 0.00 H new ATOM 592 N TYR A 40 26.520 28.839 24.882 1.00 0.00 N ATOM 593 CA TYR A 40 27.355 29.364 23.800 1.00 0.00 C ATOM 594 C TYR A 40 28.818 28.897 23.908 1.00 0.00 C ATOM 595 O TYR A 40 29.254 28.391 24.941 1.00 0.00 O ATOM 596 CB TYR A 40 27.224 30.901 23.765 1.00 0.00 C ATOM 597 CG TYR A 40 28.008 31.697 24.792 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.498 31.902 26.087 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.216 32.315 24.412 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.193 32.726 26.995 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.919 33.129 25.318 1.00 0.00 C ATOM 602 CZ TYR A 40 29.407 33.342 26.615 1.00 0.00 C ATOM 603 OH TYR A 40 30.055 34.173 27.476 1.00 0.00 O ATOM 0 H TYR A 40 27.036 28.689 25.749 1.00 0.00 H new ATOM 0 HA TYR A 40 26.999 28.961 22.852 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.526 31.241 22.774 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.169 31.151 23.880 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.574 31.428 26.385 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.605 32.162 23.416 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.796 32.888 27.986 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.849 33.590 25.021 1.00 0.00 H new ATOM 0 HH TYR A 40 30.873 34.508 27.054 1.00 0.00 H new ATOM 613 N CYS A 41 29.590 29.049 22.832 1.00 0.00 N ATOM 614 CA CYS A 41 31.023 28.744 22.826 1.00 0.00 C ATOM 615 C CYS A 41 31.816 29.938 23.386 1.00 0.00 C ATOM 616 O CYS A 41 31.788 31.013 22.779 1.00 0.00 O ATOM 617 CB CYS A 41 31.449 28.402 21.392 1.00 0.00 C ATOM 618 SG CYS A 41 30.471 27.083 20.624 1.00 0.00 S ATOM 0 H CYS A 41 29.239 29.388 21.936 1.00 0.00 H new ATOM 0 HA CYS A 41 31.232 27.886 23.465 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.374 29.300 20.778 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.498 28.106 21.397 1.00 0.00 H new ATOM 623 N TYR A 42 32.536 29.768 24.504 1.00 0.00 N ATOM 624 CA TYR A 42 33.317 30.840 25.151 1.00 0.00 C ATOM 625 C TYR A 42 34.352 31.433 24.179 1.00 0.00 C ATOM 626 O TYR A 42 34.305 32.623 23.861 1.00 0.00 O ATOM 627 CB TYR A 42 33.966 30.278 26.425 1.00 0.00 C ATOM 628 CG TYR A 42 34.657 31.298 27.312 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.898 32.090 28.197 1.00 0.00 C ATOM 630 CD2 TYR A 42 36.062 31.408 27.304 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.539 32.961 29.100 1.00 0.00 C ATOM 632 CE2 TYR A 42 36.705 32.284 28.200 1.00 0.00 C ATOM 633 CZ TYR A 42 35.947 33.047 29.115 1.00 0.00 C ATOM 634 OH TYR A 42 36.584 33.821 30.035 1.00 0.00 O ATOM 0 H TYR A 42 32.595 28.874 24.992 1.00 0.00 H new ATOM 0 HA TYR A 42 32.659 31.662 25.431 1.00 0.00 H new ATOM 0 HB2 TYR A 42 33.197 29.774 27.011 1.00 0.00 H new ATOM 0 HB3 TYR A 42 34.695 29.520 26.137 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.820 32.029 28.183 1.00 0.00 H new ATOM 0 HD2 TYR A 42 36.646 30.821 26.611 1.00 0.00 H new ATOM 0 HE1 TYR A 42 33.953 33.562 29.780 1.00 0.00 H new ATOM 0 HE2 TYR A 42 37.781 32.372 28.187 1.00 0.00 H new ATOM 0 HH TYR A 42 37.553 33.761 29.899 1.00 0.00 H new ATOM 644 N ALA A 43 35.176 30.559 23.597 1.00 0.00 N ATOM 645 CA ALA A 43 35.746 30.709 22.255 1.00 0.00 C ATOM 646 C ALA A 43 35.633 29.374 21.491 1.00 0.00 C ATOM 647 O ALA A 43 35.114 29.318 20.374 1.00 0.00 O ATOM 648 CB ALA A 43 37.194 31.200 22.373 1.00 0.00 C ATOM 0 H ALA A 43 35.475 29.701 24.060 1.00 0.00 H new ATOM 0 HA ALA A 43 35.192 31.454 21.684 1.00 0.00 H new ATOM 0 HB1 ALA A 43 37.622 31.313 21.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.212 32.161 22.887 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.779 30.475 22.939 1.00 0.00 H new ATOM 654 N PHE A 44 36.026 28.273 22.138 1.00 0.00 N ATOM 655 CA PHE A 44 35.877 26.901 21.634 1.00 0.00 C ATOM 656 C PHE A 44 35.359 25.901 22.686 1.00 0.00 C ATOM 657 O PHE A 44 34.902 24.826 22.306 1.00 0.00 O ATOM 658 CB PHE A 44 37.202 26.452 20.997 1.00 0.00 C ATOM 659 CG PHE A 44 38.429 26.615 21.876 1.00 0.00 C ATOM 660 CD1 PHE A 44 38.806 25.589 22.761 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.198 27.794 21.807 1.00 0.00 C ATOM 662 CE1 PHE A 44 39.948 25.740 23.567 1.00 0.00 C ATOM 663 CE2 PHE A 44 40.329 27.951 22.628 1.00 0.00 C ATOM 664 CZ PHE A 44 40.706 26.922 23.506 1.00 0.00 C ATOM 0 H PHE A 44 36.470 28.311 23.055 1.00 0.00 H new ATOM 0 HA PHE A 44 35.096 26.910 20.873 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.114 25.403 20.714 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.355 27.018 20.078 1.00 0.00 H new ATOM 0 HD1 PHE A 44 38.218 24.685 22.821 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.918 28.580 21.121 1.00 0.00 H new ATOM 0 HE1 PHE A 44 40.244 24.945 24.235 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.907 28.862 22.583 1.00 0.00 H new ATOM 0 HZ PHE A 44 41.577 27.039 24.134 1.00 0.00 H new ATOM 674 N ALA A 45 35.351 26.248 23.976 1.00 0.00 N ATOM 675 CA ALA A 45 34.732 25.457 25.043 1.00 0.00 C ATOM 676 C ALA A 45 33.263 25.850 25.312 1.00 0.00 C ATOM 677 O ALA A 45 32.880 27.010 25.145 1.00 0.00 O ATOM 678 CB ALA A 45 35.602 25.592 26.293 1.00 0.00 C ATOM 0 H ALA A 45 35.785 27.107 24.315 1.00 0.00 H new ATOM 0 HA ALA A 45 34.684 24.414 24.731 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.164 25.012 27.105 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.604 25.220 26.081 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.659 26.641 26.585 1.00 0.00 H new ATOM 684 N CYS A 46 32.440 24.890 25.748 1.00 0.00 N ATOM 685 CA CYS A 46 31.006 25.076 26.008 1.00 0.00 C ATOM 686 C CYS A 46 30.705 25.787 27.350 1.00 0.00 C ATOM 687 O CYS A 46 31.093 25.305 28.414 1.00 0.00 O ATOM 688 CB CYS A 46 30.373 23.682 25.939 1.00 0.00 C ATOM 689 SG CYS A 46 28.578 23.602 26.132 1.00 0.00 S ATOM 0 H CYS A 46 32.759 23.939 25.935 1.00 0.00 H new ATOM 0 HA CYS A 46 30.579 25.745 25.261 1.00 0.00 H new ATOM 0 HB2 CYS A 46 30.633 23.236 24.979 1.00 0.00 H new ATOM 0 HB3 CYS A 46 30.827 23.062 26.712 1.00 0.00 H new ATOM 694 N TRP A 47 29.980 26.912 27.314 1.00 0.00 N ATOM 695 CA TRP A 47 29.686 27.793 28.459 1.00 0.00 C ATOM 696 C TRP A 47 28.185 28.114 28.554 1.00 0.00 C ATOM 697 O TRP A 47 27.512 28.259 27.532 1.00 0.00 O ATOM 698 CB TRP A 47 30.533 29.066 28.301 1.00 0.00 C ATOM 699 CG TRP A 47 30.520 30.099 29.397 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.527 30.985 29.645 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.585 30.435 30.342 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.910 31.861 30.646 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.181 31.579 31.097 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.865 29.907 30.620 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.010 32.181 32.055 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.698 30.492 31.596 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.277 31.629 32.308 1.00 0.00 C ATOM 0 H TRP A 47 29.562 27.251 26.448 1.00 0.00 H new ATOM 0 HA TRP A 47 29.943 27.292 29.392 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.568 28.755 28.155 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.216 29.559 27.382 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.575 31.005 29.136 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.327 32.618 31.004 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.212 29.041 30.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.679 33.058 32.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.668 30.063 31.798 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.925 32.076 33.047 1.00 0.00 H new ATOM 718 N CYS A 48 27.655 28.248 29.772 1.00 0.00 N ATOM 719 CA CYS A 48 26.236 28.509 30.040 1.00 0.00 C ATOM 720 C CYS A 48 26.006 29.587 31.113 1.00 0.00 C ATOM 721 O CYS A 48 26.901 29.926 31.890 1.00 0.00 O ATOM 722 CB CYS A 48 25.534 27.203 30.419 1.00 0.00 C ATOM 723 SG CYS A 48 25.374 26.006 29.076 1.00 0.00 S ATOM 0 H CYS A 48 28.214 28.176 30.622 1.00 0.00 H new ATOM 0 HA CYS A 48 25.804 28.907 29.122 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.083 26.737 31.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.539 27.439 30.796 1.00 0.00 H new ATOM 728 N THR A 49 24.788 30.134 31.135 1.00 0.00 N ATOM 729 CA THR A 49 24.438 31.412 31.787 1.00 0.00 C ATOM 730 C THR A 49 23.171 31.318 32.648 1.00 0.00 C ATOM 731 O THR A 49 22.403 30.358 32.539 1.00 0.00 O ATOM 732 CB THR A 49 24.266 32.492 30.703 1.00 0.00 C ATOM 733 OG1 THR A 49 23.316 32.064 29.750 1.00 0.00 O ATOM 734 CG2 THR A 49 25.576 32.765 29.966 1.00 0.00 C ATOM 0 H THR A 49 23.987 29.690 30.686 1.00 0.00 H new ATOM 0 HA THR A 49 25.250 31.673 32.465 1.00 0.00 H new ATOM 0 HB THR A 49 23.939 33.403 31.203 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.208 32.754 29.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.415 33.532 29.209 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.328 33.108 30.676 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.921 31.849 29.486 1.00 0.00 H new ATOM 742 N HIS A 50 22.936 32.308 33.522 1.00 0.00 N ATOM 743 CA HIS A 50 21.779 32.380 34.443 1.00 0.00 C ATOM 744 C HIS A 50 21.578 31.110 35.313 1.00 0.00 C ATOM 745 O HIS A 50 20.452 30.675 35.564 1.00 0.00 O ATOM 746 CB HIS A 50 20.506 32.837 33.688 1.00 0.00 C ATOM 747 CG HIS A 50 20.633 34.154 32.948 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.221 35.405 33.427 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.168 34.321 31.703 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.550 36.292 32.469 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.124 35.669 31.425 1.00 0.00 N ATOM 0 H HIS A 50 23.562 33.108 33.615 1.00 0.00 H new ATOM 0 HA HIS A 50 22.007 33.149 35.181 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.229 32.062 32.973 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.688 32.918 34.404 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.552 33.544 31.059 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.377 37.356 32.531 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.467 36.117 30.575 1.00 0.00 H new ATOM 759 N LEU A 51 22.676 30.479 35.741 1.00 0.00 N ATOM 760 CA LEU A 51 22.735 29.228 36.521 1.00 0.00 C ATOM 761 C LEU A 51 22.562 29.470 38.040 1.00 0.00 C ATOM 762 O LEU A 51 22.691 30.607 38.507 1.00 0.00 O ATOM 763 CB LEU A 51 24.081 28.514 36.246 1.00 0.00 C ATOM 764 CG LEU A 51 24.539 28.405 34.775 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.945 27.808 34.711 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.604 27.526 33.955 1.00 0.00 C ATOM 0 H LEU A 51 23.607 30.846 35.543 1.00 0.00 H new ATOM 0 HA LEU A 51 21.904 28.599 36.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.859 29.035 36.804 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.017 27.506 36.655 1.00 0.00 H new ATOM 0 HG LEU A 51 24.529 29.412 34.357 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.262 27.734 33.671 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.638 28.449 35.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.939 26.815 35.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.961 27.475 32.926 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.581 26.523 34.381 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.600 27.950 33.970 1.00 0.00 H new ATOM 778 N TYR A 52 22.329 28.405 38.820 1.00 0.00 N ATOM 779 CA TYR A 52 22.311 28.444 40.298 1.00 0.00 C ATOM 780 C TYR A 52 23.680 28.854 40.885 1.00 0.00 C ATOM 781 O TYR A 52 24.711 28.630 40.250 1.00 0.00 O ATOM 782 CB TYR A 52 21.952 27.063 40.888 1.00 0.00 C ATOM 783 CG TYR A 52 20.857 26.212 40.254 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.711 26.770 39.648 1.00 0.00 C ATOM 785 CD2 TYR A 52 20.980 24.811 40.336 1.00 0.00 C ATOM 786 CE1 TYR A 52 18.701 25.930 39.125 1.00 0.00 C ATOM 787 CE2 TYR A 52 19.980 23.974 39.810 1.00 0.00 C ATOM 788 CZ TYR A 52 18.832 24.524 39.211 1.00 0.00 C ATOM 789 OH TYR A 52 17.859 23.686 38.771 1.00 0.00 O ATOM 0 H TYR A 52 22.144 27.476 38.441 1.00 0.00 H new ATOM 0 HA TYR A 52 21.558 29.185 40.567 1.00 0.00 H new ATOM 0 HB2 TYR A 52 22.864 26.466 40.888 1.00 0.00 H new ATOM 0 HB3 TYR A 52 21.674 27.221 41.930 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.605 27.843 39.583 1.00 0.00 H new ATOM 0 HD2 TYR A 52 21.849 24.376 40.807 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.828 26.363 38.659 1.00 0.00 H new ATOM 0 HE2 TYR A 52 20.094 22.902 39.866 1.00 0.00 H new ATOM 0 HH TYR A 52 18.166 23.224 37.963 1.00 0.00 H new ATOM 799 N GLU A 53 23.733 29.360 42.122 1.00 0.00 N ATOM 800 CA GLU A 53 25.012 29.617 42.817 1.00 0.00 C ATOM 801 C GLU A 53 25.751 28.309 43.168 1.00 0.00 C ATOM 802 O GLU A 53 26.950 28.192 42.906 1.00 0.00 O ATOM 803 CB GLU A 53 24.815 30.481 44.074 1.00 0.00 C ATOM 804 CG GLU A 53 24.323 31.901 43.774 1.00 0.00 C ATOM 805 CD GLU A 53 24.099 32.683 45.075 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.105 33.111 45.695 1.00 0.00 O ATOM 807 OE2 GLU A 53 22.920 32.887 45.463 1.00 0.00 O ATOM 0 H GLU A 53 22.906 29.602 42.668 1.00 0.00 H new ATOM 0 HA GLU A 53 25.636 30.175 42.119 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.099 29.990 44.733 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.759 30.540 44.615 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.053 32.420 43.153 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.394 31.857 43.206 1.00 0.00 H new ATOM 814 N GLN A 54 25.035 27.292 43.666 1.00 0.00 N ATOM 815 CA GLN A 54 25.577 25.963 44.004 1.00 0.00 C ATOM 816 C GLN A 54 25.909 25.058 42.793 1.00 0.00 C ATOM 817 O GLN A 54 26.257 23.888 42.977 1.00 0.00 O ATOM 818 CB GLN A 54 24.641 25.266 45.015 1.00 0.00 C ATOM 819 CG GLN A 54 23.274 24.855 44.435 1.00 0.00 C ATOM 820 CD GLN A 54 22.386 24.196 45.487 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.589 24.828 46.171 1.00 0.00 O ATOM 822 NE2 GLN A 54 22.460 22.897 45.648 1.00 0.00 N ATOM 0 H GLN A 54 24.035 27.370 43.851 1.00 0.00 H new ATOM 0 HA GLN A 54 26.551 26.136 44.462 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.140 24.378 45.402 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.478 25.934 45.861 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.770 25.734 44.034 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.424 24.167 43.603 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.116 22.350 45.090 1.00 0.00 H new ATOM 0 HE22 GLN A 54 21.862 22.433 46.331 1.00 0.00 H new ATOM 831 N ALA A 55 25.794 25.568 41.559 1.00 0.00 N ATOM 832 CA ALA A 55 26.147 24.834 40.343 1.00 0.00 C ATOM 833 C ALA A 55 27.673 24.731 40.167 1.00 0.00 C ATOM 834 O ALA A 55 28.395 25.714 40.360 1.00 0.00 O ATOM 835 CB ALA A 55 25.482 25.505 39.135 1.00 0.00 C ATOM 0 H ALA A 55 25.450 26.511 41.379 1.00 0.00 H new ATOM 0 HA ALA A 55 25.776 23.812 40.426 1.00 0.00 H new ATOM 0 HB1 ALA A 55 25.743 24.961 38.227 1.00 0.00 H new ATOM 0 HB2 ALA A 55 24.400 25.497 39.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.830 26.535 39.053 1.00 0.00 H new ATOM 841 N VAL A 56 28.163 23.557 39.763 1.00 0.00 N ATOM 842 CA VAL A 56 29.593 23.288 39.543 1.00 0.00 C ATOM 843 C VAL A 56 30.020 23.790 38.164 1.00 0.00 C ATOM 844 O VAL A 56 29.412 23.439 37.149 1.00 0.00 O ATOM 845 CB VAL A 56 29.915 21.787 39.700 1.00 0.00 C ATOM 846 CG1 VAL A 56 31.413 21.503 39.517 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.508 21.264 41.086 1.00 0.00 C ATOM 0 H VAL A 56 27.569 22.749 39.575 1.00 0.00 H new ATOM 0 HA VAL A 56 30.158 23.827 40.303 1.00 0.00 H new ATOM 0 HB VAL A 56 29.343 21.278 38.924 1.00 0.00 H new ATOM 0 HG11 VAL A 56 31.598 20.435 39.635 1.00 0.00 H new ATOM 0 HG12 VAL A 56 31.724 21.817 38.521 1.00 0.00 H new ATOM 0 HG13 VAL A 56 31.982 22.055 40.265 1.00 0.00 H new ATOM 0 HG21 VAL A 56 29.750 20.204 41.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.049 21.814 41.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 28.436 21.402 41.227 1.00 0.00 H new ATOM 857 N VAL A 57 31.091 24.584 38.114 1.00 0.00 N ATOM 858 CA VAL A 57 31.712 25.079 36.877 1.00 0.00 C ATOM 859 C VAL A 57 33.238 24.926 36.929 1.00 0.00 C ATOM 860 O VAL A 57 33.871 25.050 37.984 1.00 0.00 O ATOM 861 CB VAL A 57 31.272 26.520 36.541 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.760 26.617 36.287 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.636 27.538 37.625 1.00 0.00 C ATOM 0 H VAL A 57 31.566 24.912 38.955 1.00 0.00 H new ATOM 0 HA VAL A 57 31.354 24.458 36.056 1.00 0.00 H new ATOM 0 HB VAL A 57 31.823 26.765 35.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.496 27.649 36.054 1.00 0.00 H new ATOM 0 HG12 VAL A 57 29.490 25.975 35.448 1.00 0.00 H new ATOM 0 HG13 VAL A 57 29.220 26.296 37.178 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.297 28.529 37.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 31.154 27.260 38.562 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.717 27.551 37.763 1.00 0.00 H new ATOM 873 N TRP A 58 33.838 24.597 35.785 1.00 0.00 N ATOM 874 CA TRP A 58 35.252 24.215 35.677 1.00 0.00 C ATOM 875 C TRP A 58 36.145 25.460 35.492 1.00 0.00 C ATOM 876 O TRP A 58 35.836 26.281 34.624 1.00 0.00 O ATOM 877 CB TRP A 58 35.392 23.218 34.518 1.00 0.00 C ATOM 878 CG TRP A 58 36.626 22.371 34.482 1.00 0.00 C ATOM 879 CD1 TRP A 58 36.723 21.123 34.993 1.00 0.00 C ATOM 880 CD2 TRP A 58 37.901 22.625 33.815 1.00 0.00 C ATOM 881 NE1 TRP A 58 37.972 20.599 34.723 1.00 0.00 N ATOM 882 CE2 TRP A 58 38.731 21.475 33.978 1.00 0.00 C ATOM 883 CE3 TRP A 58 38.433 23.697 33.063 1.00 0.00 C ATOM 884 CZ2 TRP A 58 40.017 21.394 33.424 1.00 0.00 C ATOM 885 CZ3 TRP A 58 39.720 23.619 32.493 1.00 0.00 C ATOM 886 CH2 TRP A 58 40.509 22.467 32.662 1.00 0.00 C ATOM 0 H TRP A 58 33.349 24.587 34.890 1.00 0.00 H new ATOM 0 HA TRP A 58 35.588 23.736 36.597 1.00 0.00 H new ATOM 0 HB2 TRP A 58 34.528 22.554 34.539 1.00 0.00 H new ATOM 0 HB3 TRP A 58 35.341 23.778 33.584 1.00 0.00 H new ATOM 0 HD1 TRP A 58 35.940 20.612 35.533 1.00 0.00 H new ATOM 0 HE1 TRP A 58 38.291 19.682 35.035 1.00 0.00 H new ATOM 0 HE3 TRP A 58 37.844 24.591 32.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 40.624 20.515 33.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 40.104 24.451 31.921 1.00 0.00 H new ATOM 0 HH2 TRP A 58 41.487 22.408 32.209 1.00 0.00 H new ATOM 897 N PRO A 59 37.236 25.645 36.262 1.00 0.00 N ATOM 898 CA PRO A 59 38.048 26.860 36.193 1.00 0.00 C ATOM 899 C PRO A 59 38.888 26.890 34.905 1.00 0.00 C ATOM 900 O PRO A 59 39.863 26.145 34.753 1.00 0.00 O ATOM 901 CB PRO A 59 38.872 26.884 37.484 1.00 0.00 C ATOM 902 CG PRO A 59 38.955 25.420 37.909 1.00 0.00 C ATOM 903 CD PRO A 59 37.674 24.794 37.358 1.00 0.00 C ATOM 0 HA PRO A 59 37.445 27.766 36.133 1.00 0.00 H new ATOM 0 HB2 PRO A 59 39.863 27.305 37.315 1.00 0.00 H new ATOM 0 HB3 PRO A 59 38.393 27.494 38.250 1.00 0.00 H new ATOM 0 HG2 PRO A 59 39.842 24.937 37.500 1.00 0.00 H new ATOM 0 HG3 PRO A 59 39.011 25.323 38.993 1.00 0.00 H new ATOM 0 HD2 PRO A 59 37.858 23.777 37.010 1.00 0.00 H new ATOM 0 HD3 PRO A 59 36.908 24.733 38.131 1.00 0.00 H new ATOM 911 N LEU A 60 38.487 27.755 33.970 1.00 0.00 N ATOM 912 CA LEU A 60 38.873 27.746 32.553 1.00 0.00 C ATOM 913 C LEU A 60 39.960 28.768 32.095 1.00 0.00 C ATOM 914 O LEU A 60 40.307 28.729 30.912 1.00 0.00 O ATOM 915 CB LEU A 60 37.537 27.909 31.777 1.00 0.00 C ATOM 916 CG LEU A 60 37.507 27.540 30.279 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.675 26.036 30.060 1.00 0.00 C ATOM 918 CD2 LEU A 60 36.171 27.964 29.666 1.00 0.00 C ATOM 0 H LEU A 60 37.851 28.521 34.191 1.00 0.00 H new ATOM 0 HA LEU A 60 39.393 26.811 32.343 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.784 27.305 32.283 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.225 28.949 31.869 1.00 0.00 H new ATOM 0 HG LEU A 60 38.337 28.061 29.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.648 25.819 28.992 1.00 0.00 H new ATOM 0 HD12 LEU A 60 38.631 25.713 30.472 1.00 0.00 H new ATOM 0 HD13 LEU A 60 36.866 25.503 30.559 1.00 0.00 H new ATOM 0 HD21 LEU A 60 36.156 27.701 28.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 35.357 27.452 30.179 1.00 0.00 H new ATOM 0 HD23 LEU A 60 36.047 29.042 29.773 1.00 0.00 H new ATOM 930 N PRO A 61 40.528 29.701 32.896 1.00 0.00 N ATOM 931 CA PRO A 61 41.279 30.829 32.322 1.00 0.00 C ATOM 932 C PRO A 61 42.661 30.479 31.734 1.00 0.00 C ATOM 933 O PRO A 61 43.166 31.237 30.899 1.00 0.00 O ATOM 934 CB PRO A 61 41.378 31.862 33.448 1.00 0.00 C ATOM 935 CG PRO A 61 41.363 31.010 34.715 1.00 0.00 C ATOM 936 CD PRO A 61 40.421 29.872 34.342 1.00 0.00 C ATOM 0 HA PRO A 61 40.749 31.204 31.447 1.00 0.00 H new ATOM 0 HB2 PRO A 61 42.291 32.452 33.372 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.543 32.562 33.425 1.00 0.00 H new ATOM 0 HG2 PRO A 61 42.358 30.645 34.969 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.999 31.571 35.576 1.00 0.00 H new ATOM 0 HD2 PRO A 61 40.696 28.955 34.862 1.00 0.00 H new ATOM 0 HD3 PRO A 61 39.396 30.107 34.630 1.00 0.00 H new ATOM 944 N ASN A 62 43.287 29.359 32.117 1.00 0.00 N ATOM 945 CA ASN A 62 44.665 29.007 31.721 1.00 0.00 C ATOM 946 C ASN A 62 44.802 27.605 31.077 1.00 0.00 C ATOM 947 O ASN A 62 45.866 27.289 30.535 1.00 0.00 O ATOM 948 CB ASN A 62 45.586 29.192 32.946 1.00 0.00 C ATOM 949 CG ASN A 62 45.568 30.615 33.487 1.00 0.00 C ATOM 950 OD1 ASN A 62 44.849 30.947 34.416 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.319 31.530 32.921 1.00 0.00 N ATOM 0 H ASN A 62 42.849 28.661 32.718 1.00 0.00 H new ATOM 0 HA ASN A 62 44.972 29.683 30.923 1.00 0.00 H new ATOM 0 HB2 ASN A 62 45.278 28.505 33.734 1.00 0.00 H new ATOM 0 HB3 ASN A 62 46.607 28.925 32.671 1.00 0.00 H new ATOM 0 HD21 ASN A 62 46.293 32.492 33.259 1.00 0.00 H new ATOM 0 HD22 ASN A 62 46.929 31.279 32.143 1.00 0.00 H new ATOM 958 N LYS A 63 43.743 26.782 31.112 1.00 0.00 N ATOM 959 CA LYS A 63 43.642 25.410 30.566 1.00 0.00 C ATOM 960 C LYS A 63 42.241 25.156 29.976 1.00 0.00 C ATOM 961 O LYS A 63 41.332 25.957 30.190 1.00 0.00 O ATOM 962 CB LYS A 63 43.943 24.403 31.695 1.00 0.00 C ATOM 963 CG LYS A 63 45.416 24.412 32.139 1.00 0.00 C ATOM 964 CD LYS A 63 45.651 23.434 33.293 1.00 0.00 C ATOM 965 CE LYS A 63 47.136 23.397 33.663 1.00 0.00 C ATOM 966 NZ LYS A 63 47.364 22.493 34.810 1.00 0.00 N ATOM 0 H LYS A 63 42.870 27.073 31.553 1.00 0.00 H new ATOM 0 HA LYS A 63 44.366 25.287 29.761 1.00 0.00 H new ATOM 0 HB2 LYS A 63 43.310 24.630 32.553 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.678 23.401 31.359 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.054 24.145 31.297 1.00 0.00 H new ATOM 0 HG3 LYS A 63 45.700 25.418 32.448 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.061 23.734 34.159 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.315 22.437 33.008 1.00 0.00 H new ATOM 0 HE2 LYS A 63 47.721 23.062 32.807 1.00 0.00 H new ATOM 0 HE3 LYS A 63 47.480 24.401 33.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.377 22.481 35.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 46.821 22.830 35.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 47.055 21.532 34.561 1.00 0.00 H new ATOM 980 N THR A 64 42.038 24.037 29.271 1.00 0.00 N ATOM 981 CA THR A 64 40.728 23.617 28.721 1.00 0.00 C ATOM 982 C THR A 64 40.368 22.165 29.094 1.00 0.00 C ATOM 983 O THR A 64 41.187 21.424 29.644 1.00 0.00 O ATOM 984 CB THR A 64 40.669 23.884 27.201 1.00 0.00 C ATOM 985 OG1 THR A 64 39.335 23.816 26.739 1.00 0.00 O ATOM 986 CG2 THR A 64 41.518 22.931 26.362 1.00 0.00 C ATOM 0 H THR A 64 42.789 23.380 29.059 1.00 0.00 H new ATOM 0 HA THR A 64 39.956 24.229 29.188 1.00 0.00 H new ATOM 0 HB THR A 64 41.083 24.884 27.073 1.00 0.00 H new ATOM 0 HG1 THR A 64 39.314 23.989 25.775 1.00 0.00 H new ATOM 0 HG21 THR A 64 41.419 23.188 25.307 1.00 0.00 H new ATOM 0 HG22 THR A 64 42.563 23.016 26.660 1.00 0.00 H new ATOM 0 HG23 THR A 64 41.178 21.907 26.519 1.00 0.00 H new ATOM 994 N CYS A 65 39.131 21.745 28.811 1.00 0.00 N ATOM 995 CA CYS A 65 38.635 20.383 29.040 1.00 0.00 C ATOM 996 C CYS A 65 37.864 19.861 27.814 1.00 0.00 C ATOM 997 O CYS A 65 37.147 20.627 27.165 1.00 0.00 O ATOM 998 CB CYS A 65 37.764 20.359 30.303 1.00 0.00 C ATOM 999 SG CYS A 65 37.657 18.717 31.058 1.00 0.00 S ATOM 0 H CYS A 65 38.426 22.360 28.405 1.00 0.00 H new ATOM 0 HA CYS A 65 39.484 19.716 29.190 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.170 21.062 31.031 1.00 0.00 H new ATOM 0 HB3 CYS A 65 36.761 20.704 30.052 1.00 0.00 H new ATOM 1004 N ASN A 66 38.010 18.573 27.481 1.00 0.00 N ATOM 1005 CA ASN A 66 37.396 17.952 26.300 1.00 0.00 C ATOM 1006 C ASN A 66 36.989 16.489 26.594 1.00 0.00 C ATOM 1007 O ASN A 66 37.691 15.533 26.270 1.00 0.00 O ATOM 1008 CB ASN A 66 38.370 18.114 25.115 1.00 0.00 C ATOM 1009 CG ASN A 66 37.793 17.617 23.801 1.00 0.00 C ATOM 1010 OD1 ASN A 66 37.037 18.301 23.122 1.00 0.00 O ATOM 1011 ND2 ASN A 66 38.127 16.420 23.382 1.00 0.00 N ATOM 0 H ASN A 66 38.567 17.922 28.034 1.00 0.00 H new ATOM 0 HA ASN A 66 36.463 18.448 26.032 1.00 0.00 H new ATOM 0 HB2 ASN A 66 38.638 19.166 25.013 1.00 0.00 H new ATOM 0 HB3 ASN A 66 39.290 17.570 25.331 1.00 0.00 H new ATOM 0 HD21 ASN A 66 37.758 16.067 22.499 1.00 0.00 H new ATOM 0 HD22 ASN A 66 38.756 15.842 23.939 1.00 0.00 H new