USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 573 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 28 TYR OH : rot 165:sc= 1.03 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -112:sc= 0.934 (180deg=-1.63!) USER MOD Set 2.1: A 29 SER OG : rot -86:sc= -0.242 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -1.2 X(o=-1.4,f=-0.96) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc=-0.00415 (180deg=-0.126) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= -0.493 (180deg=-1.26) USER MOD Single : A 14 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -0.0001 (180deg=-0.125) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.913 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.37) USER MOD Single : A 59 ASN : amide:sc=-0.00677 K(o=-0.0068,f=-0.72) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -124:sc= 0.868 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 0.803 (180deg=-0.973) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= -0.49 (180deg=-4.02!) USER MOD Single : A 73 TYR OH : rot -140:sc= -1.6! USER MOD Single : A 76 LYS NZ :NH3+ -121:sc= 1.13 (180deg=0.0467) USER MOD Single : A 81 LYS NZ :NH3+ -113:sc= -0.621 (180deg=-5.45!) USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= 0.86 (180deg=0.664) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0846) USER MOD Single : A 84 TYR OH : rot 174:sc= -0.282 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.497 7.122 11.014 1.00 0.24 N ATOM 32 CA ALA A 3 2.858 7.561 12.290 1.00 0.34 C ATOM 33 C ALA A 3 3.808 8.275 13.265 1.00 0.35 C ATOM 34 O ALA A 3 3.482 9.304 13.818 1.00 0.43 O ATOM 35 CB ALA A 3 2.253 6.309 12.954 1.00 0.59 C ATOM 0 HA ALA A 3 2.100 8.306 12.046 1.00 0.34 H new ATOM 0 HB1 ALA A 3 1.775 6.590 13.893 1.00 0.59 H new ATOM 0 HB2 ALA A 3 1.512 5.866 12.288 1.00 0.59 H new ATOM 0 HB3 ALA A 3 3.043 5.584 13.152 1.00 0.59 H new ATOM 41 N GLU A 4 4.976 7.715 13.442 1.00 0.33 N ATOM 42 CA GLU A 4 5.954 8.345 14.396 1.00 0.47 C ATOM 43 C GLU A 4 6.379 9.759 14.022 1.00 0.31 C ATOM 44 O GLU A 4 6.696 10.544 14.893 1.00 0.33 O ATOM 45 CB GLU A 4 7.281 7.551 14.531 1.00 0.67 C ATOM 46 CG GLU A 4 7.060 6.016 14.539 1.00 0.82 C ATOM 47 CD GLU A 4 6.621 5.554 13.165 1.00 2.31 C ATOM 48 OE1 GLU A 4 7.226 6.006 12.209 1.00 2.20 O ATOM 49 OE2 GLU A 4 5.690 4.773 13.124 1.00 4.28 O ATOM 0 H GLU A 4 5.297 6.864 12.980 1.00 0.33 H new ATOM 0 HA GLU A 4 5.386 8.347 15.326 1.00 0.47 H new ATOM 0 HB2 GLU A 4 7.943 7.815 13.706 1.00 0.67 H new ATOM 0 HB3 GLU A 4 7.785 7.847 15.451 1.00 0.67 H new ATOM 0 HG2 GLU A 4 7.981 5.508 14.827 1.00 0.82 H new ATOM 0 HG3 GLU A 4 6.305 5.752 15.280 1.00 0.82 H new ATOM 56 N PHE A 5 6.369 10.041 12.758 1.00 0.28 N ATOM 57 CA PHE A 5 6.765 11.390 12.256 1.00 0.21 C ATOM 58 C PHE A 5 5.597 12.329 12.523 1.00 0.25 C ATOM 59 O PHE A 5 5.819 13.368 13.112 1.00 0.28 O ATOM 60 CB PHE A 5 7.075 11.266 10.780 1.00 0.19 C ATOM 61 CG PHE A 5 7.402 12.650 10.228 1.00 0.12 C ATOM 62 CD1 PHE A 5 8.688 13.167 10.240 1.00 0.09 C ATOM 63 CD2 PHE A 5 6.375 13.402 9.709 1.00 0.17 C ATOM 64 CE1 PHE A 5 8.927 14.429 9.729 1.00 0.12 C ATOM 65 CE2 PHE A 5 6.607 14.651 9.204 1.00 0.19 C ATOM 66 CZ PHE A 5 7.879 15.169 9.210 1.00 0.16 C ATOM 0 H PHE A 5 6.097 9.382 12.029 1.00 0.28 H new ATOM 0 HA PHE A 5 7.651 11.785 12.753 1.00 0.21 H new ATOM 0 HB2 PHE A 5 7.916 10.590 10.627 1.00 0.19 H new ATOM 0 HB3 PHE A 5 6.223 10.840 10.250 1.00 0.19 H new ATOM 0 HD1 PHE A 5 9.501 12.585 10.648 1.00 0.09 H new ATOM 0 HD2 PHE A 5 5.372 13.001 9.700 1.00 0.17 H new ATOM 0 HE1 PHE A 5 9.927 14.836 9.735 1.00 0.12 H new ATOM 0 HE2 PHE A 5 5.790 15.230 8.800 1.00 0.19 H new ATOM 0 HZ PHE A 5 8.062 16.155 8.809 1.00 0.16 H new ATOM 76 N ASP A 6 4.397 12.001 12.107 1.00 0.28 N ATOM 77 CA ASP A 6 3.260 12.909 12.389 1.00 0.35 C ATOM 78 C ASP A 6 3.298 13.031 13.929 1.00 0.34 C ATOM 79 O ASP A 6 3.248 14.121 14.451 1.00 0.46 O ATOM 80 CB ASP A 6 2.038 12.214 11.828 1.00 0.43 C ATOM 81 CG ASP A 6 2.325 11.861 10.389 1.00 0.17 C ATOM 82 OD1 ASP A 6 2.115 12.669 9.504 1.00 0.54 O ATOM 83 OD2 ASP A 6 2.774 10.743 10.265 1.00 0.59 O ATOM 0 H ASP A 6 4.165 11.152 11.591 1.00 0.28 H new ATOM 0 HA ASP A 6 3.276 13.907 11.951 1.00 0.35 H new ATOM 0 HB2 ASP A 6 1.812 11.316 12.403 1.00 0.43 H new ATOM 0 HB3 ASP A 6 1.165 12.864 11.895 1.00 0.43 H new ATOM 88 N LYS A 7 3.391 11.908 14.607 1.00 0.29 N ATOM 89 CA LYS A 7 3.460 11.905 16.102 1.00 0.30 C ATOM 90 C LYS A 7 4.506 12.964 16.474 1.00 0.32 C ATOM 91 O LYS A 7 4.230 13.766 17.330 1.00 0.26 O ATOM 92 CB LYS A 7 3.904 10.516 16.621 1.00 0.40 C ATOM 93 CG LYS A 7 3.931 10.484 18.183 1.00 0.70 C ATOM 94 CD LYS A 7 4.337 9.056 18.709 1.00 0.74 C ATOM 95 CE LYS A 7 5.748 8.610 18.243 1.00 2.85 C ATOM 96 NZ LYS A 7 6.770 9.604 18.711 1.00 3.96 N ATOM 0 H LYS A 7 3.422 10.983 14.179 1.00 0.29 H new ATOM 0 HA LYS A 7 2.488 12.121 16.546 1.00 0.30 H new ATOM 0 HB2 LYS A 7 3.223 9.750 16.250 1.00 0.40 H new ATOM 0 HB3 LYS A 7 4.894 10.278 16.232 1.00 0.40 H new ATOM 0 HG2 LYS A 7 4.637 11.227 18.554 1.00 0.70 H new ATOM 0 HG3 LYS A 7 2.950 10.754 18.573 1.00 0.70 H new ATOM 0 HD2 LYS A 7 4.304 9.055 19.799 1.00 0.74 H new ATOM 0 HD3 LYS A 7 3.602 8.328 18.367 1.00 0.74 H new ATOM 0 HE2 LYS A 7 5.978 7.622 18.641 1.00 2.85 H new ATOM 0 HE3 LYS A 7 5.775 8.530 17.156 1.00 2.85 H new ATOM 0 HZ1 LYS A 7 7.724 9.238 18.518 1.00 3.96 H new ATOM 0 HZ2 LYS A 7 6.635 10.504 18.207 1.00 3.96 H new ATOM 0 HZ3 LYS A 7 6.660 9.760 19.733 1.00 3.96 H new ATOM 110 N ALA A 8 5.658 12.963 15.845 1.00 0.43 N ATOM 111 CA ALA A 8 6.679 13.996 16.202 1.00 0.47 C ATOM 112 C ALA A 8 6.225 15.456 15.905 1.00 0.53 C ATOM 113 O ALA A 8 6.265 16.345 16.729 1.00 0.62 O ATOM 114 CB ALA A 8 7.962 13.616 15.424 1.00 0.37 C ATOM 0 H ALA A 8 5.931 12.305 15.115 1.00 0.43 H new ATOM 0 HA ALA A 8 6.847 13.995 17.279 1.00 0.47 H new ATOM 0 HB1 ALA A 8 8.749 14.338 15.645 1.00 0.37 H new ATOM 0 HB2 ALA A 8 8.288 12.620 15.724 1.00 0.37 H new ATOM 0 HB3 ALA A 8 7.754 13.622 14.354 1.00 0.37 H new ATOM 120 N ALA A 9 5.778 15.658 14.714 1.00 0.50 N ATOM 121 CA ALA A 9 5.307 17.026 14.290 1.00 0.53 C ATOM 122 C ALA A 9 4.132 17.533 15.157 1.00 0.47 C ATOM 123 O ALA A 9 4.045 18.691 15.539 1.00 0.50 O ATOM 124 CB ALA A 9 4.916 16.935 12.801 1.00 0.66 C ATOM 0 H ALA A 9 5.710 14.939 13.994 1.00 0.50 H new ATOM 0 HA ALA A 9 6.106 17.754 14.431 1.00 0.53 H new ATOM 0 HB1 ALA A 9 4.569 17.909 12.456 1.00 0.66 H new ATOM 0 HB2 ALA A 9 5.783 16.630 12.215 1.00 0.66 H new ATOM 0 HB3 ALA A 9 4.119 16.201 12.678 1.00 0.66 H new ATOM 130 N GLU A 10 3.259 16.624 15.463 1.00 0.43 N ATOM 131 CA GLU A 10 2.054 16.897 16.281 1.00 0.29 C ATOM 132 C GLU A 10 2.522 17.103 17.715 1.00 0.32 C ATOM 133 O GLU A 10 2.101 18.033 18.374 1.00 0.30 O ATOM 134 CB GLU A 10 1.152 15.691 16.175 1.00 0.41 C ATOM 135 CG GLU A 10 -0.203 16.038 16.822 1.00 0.44 C ATOM 136 CD GLU A 10 -1.096 14.793 16.841 1.00 0.58 C ATOM 137 OE1 GLU A 10 -1.547 14.426 15.768 1.00 1.41 O ATOM 138 OE2 GLU A 10 -1.255 14.300 17.942 1.00 0.38 O ATOM 0 H GLU A 10 3.338 15.652 15.163 1.00 0.43 H new ATOM 0 HA GLU A 10 1.509 17.780 15.948 1.00 0.29 H new ATOM 0 HB2 GLU A 10 1.013 15.412 15.130 1.00 0.41 H new ATOM 0 HB3 GLU A 10 1.603 14.835 16.676 1.00 0.41 H new ATOM 0 HG2 GLU A 10 -0.050 16.404 17.837 1.00 0.44 H new ATOM 0 HG3 GLU A 10 -0.689 16.839 16.265 1.00 0.44 H new ATOM 145 N GLU A 11 3.384 16.234 18.164 1.00 0.37 N ATOM 146 CA GLU A 11 3.900 16.360 19.553 1.00 0.40 C ATOM 147 C GLU A 11 4.595 17.707 19.694 1.00 0.35 C ATOM 148 O GLU A 11 4.312 18.426 20.630 1.00 0.38 O ATOM 149 CB GLU A 11 4.863 15.207 19.799 1.00 0.52 C ATOM 150 CG GLU A 11 4.190 14.176 20.773 1.00 0.95 C ATOM 151 CD GLU A 11 4.473 14.613 22.208 1.00 2.45 C ATOM 152 OE1 GLU A 11 5.641 14.840 22.455 1.00 2.96 O ATOM 153 OE2 GLU A 11 3.589 14.694 23.042 1.00 4.27 O ATOM 0 H GLU A 11 3.751 15.446 17.631 1.00 0.37 H new ATOM 0 HA GLU A 11 3.097 16.314 20.289 1.00 0.40 H new ATOM 0 HB2 GLU A 11 5.119 14.723 18.857 1.00 0.52 H new ATOM 0 HB3 GLU A 11 5.793 15.579 20.229 1.00 0.52 H new ATOM 0 HG2 GLU A 11 3.116 14.132 20.595 1.00 0.95 H new ATOM 0 HG3 GLU A 11 4.584 13.175 20.597 1.00 0.95 H new ATOM 160 N VAL A 12 5.478 18.038 18.782 1.00 0.42 N ATOM 161 CA VAL A 12 6.177 19.357 18.885 1.00 0.44 C ATOM 162 C VAL A 12 5.065 20.410 19.004 1.00 0.34 C ATOM 163 O VAL A 12 5.102 21.231 19.901 1.00 0.44 O ATOM 164 CB VAL A 12 7.086 19.509 17.611 1.00 0.55 C ATOM 165 CG1 VAL A 12 6.563 20.486 16.537 1.00 0.63 C ATOM 166 CG2 VAL A 12 8.478 19.991 18.043 1.00 0.46 C ATOM 0 H VAL A 12 5.742 17.462 17.983 1.00 0.42 H new ATOM 0 HA VAL A 12 6.836 19.464 19.747 1.00 0.44 H new ATOM 0 HB VAL A 12 7.098 18.521 17.151 1.00 0.55 H new ATOM 0 HG11 VAL A 12 7.263 20.517 15.702 1.00 0.63 H new ATOM 0 HG12 VAL A 12 5.589 20.149 16.182 1.00 0.63 H new ATOM 0 HG13 VAL A 12 6.467 21.483 16.968 1.00 0.63 H new ATOM 0 HG21 VAL A 12 9.114 20.099 17.165 1.00 0.46 H new ATOM 0 HG22 VAL A 12 8.390 20.953 18.547 1.00 0.46 H new ATOM 0 HG23 VAL A 12 8.920 19.264 18.724 1.00 0.46 H new ATOM 176 N LYS A 13 4.095 20.367 18.112 1.00 0.28 N ATOM 177 CA LYS A 13 2.965 21.371 18.192 1.00 0.58 C ATOM 178 C LYS A 13 2.253 21.416 19.583 1.00 0.50 C ATOM 179 O LYS A 13 1.496 22.329 19.847 1.00 0.54 O ATOM 180 CB LYS A 13 1.899 21.039 17.120 1.00 0.94 C ATOM 181 CG LYS A 13 2.426 21.260 15.688 1.00 1.67 C ATOM 182 CD LYS A 13 1.301 20.762 14.730 1.00 1.90 C ATOM 183 CE LYS A 13 1.759 20.624 13.271 1.00 4.56 C ATOM 184 NZ LYS A 13 2.859 19.607 13.216 1.00 6.60 N ATOM 0 H LYS A 13 4.032 19.697 17.346 1.00 0.28 H new ATOM 0 HA LYS A 13 3.422 22.347 18.026 1.00 0.58 H new ATOM 0 HB2 LYS A 13 1.583 20.002 17.233 1.00 0.94 H new ATOM 0 HB3 LYS A 13 1.018 21.660 17.281 1.00 0.94 H new ATOM 0 HG2 LYS A 13 2.649 22.313 15.513 1.00 1.67 H new ATOM 0 HG3 LYS A 13 3.351 20.707 15.524 1.00 1.67 H new ATOM 0 HD2 LYS A 13 0.936 19.797 15.081 1.00 1.90 H new ATOM 0 HD3 LYS A 13 0.462 21.456 14.775 1.00 1.90 H new ATOM 0 HE2 LYS A 13 0.926 20.316 12.639 1.00 4.56 H new ATOM 0 HE3 LYS A 13 2.110 21.583 12.891 1.00 4.56 H new ATOM 0 HZ1 LYS A 13 3.551 19.883 12.490 1.00 6.60 H new ATOM 0 HZ2 LYS A 13 3.331 19.555 14.142 1.00 6.60 H new ATOM 0 HZ3 LYS A 13 2.460 18.676 12.978 1.00 6.60 H new ATOM 198 N HIS A 14 2.523 20.448 20.416 1.00 0.45 N ATOM 199 CA HIS A 14 1.908 20.354 21.787 1.00 0.46 C ATOM 200 C HIS A 14 2.967 20.271 22.892 1.00 0.13 C ATOM 201 O HIS A 14 2.627 19.910 24.001 1.00 0.20 O ATOM 202 CB HIS A 14 1.016 19.091 21.921 1.00 0.65 C ATOM 203 CG HIS A 14 -0.169 19.173 20.989 1.00 0.68 C ATOM 204 ND1 HIS A 14 -0.105 18.853 19.754 1.00 0.40 N ATOM 205 CD2 HIS A 14 -1.477 19.568 21.183 1.00 0.96 C ATOM 206 CE1 HIS A 14 -1.262 19.023 19.194 1.00 0.48 C ATOM 207 NE2 HIS A 14 -2.147 19.467 20.051 1.00 0.83 N ATOM 0 H HIS A 14 3.168 19.687 20.201 1.00 0.45 H new ATOM 0 HA HIS A 14 1.317 21.262 21.904 1.00 0.46 H new ATOM 0 HB2 HIS A 14 1.602 18.200 21.695 1.00 0.65 H new ATOM 0 HB3 HIS A 14 0.670 18.992 22.950 1.00 0.65 H new ATOM 0 HD1 HIS A 14 0.732 18.514 19.279 1.00 0.40 H new ATOM 0 HD2 HIS A 14 -1.890 19.909 22.121 1.00 0.96 H new ATOM 0 HE1 HIS A 14 -1.469 18.824 18.153 1.00 0.48 H new ATOM 215 N LEU A 15 4.206 20.590 22.622 1.00 0.27 N ATOM 216 CA LEU A 15 5.209 20.488 23.734 1.00 0.56 C ATOM 217 C LEU A 15 4.905 21.437 24.890 1.00 0.63 C ATOM 218 O LEU A 15 4.279 22.466 24.714 1.00 0.69 O ATOM 219 CB LEU A 15 6.591 20.803 23.170 1.00 1.04 C ATOM 220 CG LEU A 15 7.090 19.612 22.366 1.00 1.04 C ATOM 221 CD1 LEU A 15 8.342 20.062 21.631 1.00 1.49 C ATOM 222 CD2 LEU A 15 7.509 18.473 23.293 1.00 1.58 C ATOM 0 H LEU A 15 4.562 20.905 21.719 1.00 0.27 H new ATOM 0 HA LEU A 15 5.165 19.475 24.133 1.00 0.56 H new ATOM 0 HB2 LEU A 15 6.545 21.690 22.537 1.00 1.04 H new ATOM 0 HB3 LEU A 15 7.285 21.026 23.981 1.00 1.04 H new ATOM 0 HG LEU A 15 6.300 19.270 21.697 1.00 1.04 H new ATOM 0 HD11 LEU A 15 8.734 19.234 21.040 1.00 1.49 H new ATOM 0 HD12 LEU A 15 8.097 20.895 20.972 1.00 1.49 H new ATOM 0 HD13 LEU A 15 9.094 20.380 22.354 1.00 1.49 H new ATOM 0 HD21 LEU A 15 7.863 17.631 22.698 1.00 1.58 H new ATOM 0 HD22 LEU A 15 8.309 18.814 23.950 1.00 1.58 H new ATOM 0 HD23 LEU A 15 6.655 18.160 23.893 1.00 1.58 H new ATOM 234 N LYS A 16 5.367 21.070 26.058 1.00 0.73 N ATOM 235 CA LYS A 16 5.125 21.940 27.253 1.00 0.87 C ATOM 236 C LYS A 16 6.020 23.182 27.277 1.00 0.52 C ATOM 237 O LYS A 16 5.785 24.135 27.987 1.00 0.70 O ATOM 238 CB LYS A 16 5.355 21.053 28.447 1.00 1.21 C ATOM 239 CG LYS A 16 5.135 21.793 29.789 1.00 1.35 C ATOM 240 CD LYS A 16 4.992 20.621 30.745 1.00 0.77 C ATOM 241 CE LYS A 16 4.580 20.916 32.151 1.00 1.78 C ATOM 242 NZ LYS A 16 4.318 19.550 32.701 1.00 4.71 N ATOM 0 H LYS A 16 5.896 20.216 26.237 1.00 0.73 H new ATOM 0 HA LYS A 16 4.113 22.344 27.240 1.00 0.87 H new ATOM 0 HB2 LYS A 16 4.683 20.197 28.394 1.00 1.21 H new ATOM 0 HB3 LYS A 16 6.372 20.662 28.414 1.00 1.21 H new ATOM 0 HG2 LYS A 16 5.976 22.436 30.048 1.00 1.35 H new ATOM 0 HG3 LYS A 16 4.245 22.422 29.772 1.00 1.35 H new ATOM 0 HD2 LYS A 16 4.264 19.929 30.321 1.00 0.77 H new ATOM 0 HD3 LYS A 16 5.947 20.097 30.779 1.00 0.77 H new ATOM 0 HE2 LYS A 16 5.364 21.433 32.704 1.00 1.78 H new ATOM 0 HE3 LYS A 16 3.692 21.547 32.190 1.00 1.78 H new ATOM 0 HZ1 LYS A 16 4.018 19.627 33.694 1.00 4.71 H new ATOM 0 HZ2 LYS A 16 3.567 19.091 32.147 1.00 4.71 H new ATOM 0 HZ3 LYS A 16 5.187 18.981 32.645 1.00 4.71 H new ATOM 256 N THR A 17 7.057 23.154 26.494 1.00 0.38 N ATOM 257 CA THR A 17 8.007 24.316 26.431 1.00 0.51 C ATOM 258 C THR A 17 8.340 24.578 24.971 1.00 0.94 C ATOM 259 O THR A 17 8.116 23.744 24.116 1.00 0.96 O ATOM 260 CB THR A 17 9.319 24.005 27.173 1.00 0.67 C ATOM 261 OG1 THR A 17 8.961 23.433 28.418 1.00 0.83 O ATOM 262 CG2 THR A 17 10.026 25.265 27.644 1.00 1.38 C ATOM 0 H THR A 17 7.297 22.372 25.885 1.00 0.38 H new ATOM 0 HA THR A 17 7.535 25.179 26.900 1.00 0.51 H new ATOM 0 HB THR A 17 9.930 23.406 26.498 1.00 0.67 H new ATOM 0 HG1 THR A 17 9.772 23.217 28.924 1.00 0.83 H new ATOM 0 HG21 THR A 17 10.946 24.994 28.162 1.00 1.38 H new ATOM 0 HG22 THR A 17 10.264 25.891 26.784 1.00 1.38 H new ATOM 0 HG23 THR A 17 9.375 25.815 28.324 1.00 1.38 H new ATOM 270 N LYS A 18 8.865 25.735 24.710 1.00 1.25 N ATOM 271 CA LYS A 18 9.240 26.091 23.320 1.00 1.66 C ATOM 272 C LYS A 18 10.766 25.869 23.186 1.00 1.81 C ATOM 273 O LYS A 18 11.488 26.381 24.020 1.00 1.84 O ATOM 274 CB LYS A 18 8.812 27.562 23.089 1.00 1.70 C ATOM 275 CG LYS A 18 9.404 28.577 24.125 1.00 3.83 C ATOM 276 CD LYS A 18 8.299 29.043 25.126 1.00 3.74 C ATOM 277 CE LYS A 18 7.174 29.849 24.431 1.00 1.47 C ATOM 278 NZ LYS A 18 7.736 31.155 23.945 1.00 1.95 N ATOM 0 H LYS A 18 9.053 26.457 25.406 1.00 1.25 H new ATOM 0 HA LYS A 18 8.747 25.481 22.563 1.00 1.66 H new ATOM 0 HB2 LYS A 18 9.118 27.864 22.087 1.00 1.70 H new ATOM 0 HB3 LYS A 18 7.724 27.621 23.122 1.00 1.70 H new ATOM 0 HG2 LYS A 18 10.225 28.112 24.671 1.00 3.83 H new ATOM 0 HG3 LYS A 18 9.817 29.440 23.603 1.00 3.83 H new ATOM 0 HD2 LYS A 18 7.867 28.171 25.618 1.00 3.74 H new ATOM 0 HD3 LYS A 18 8.753 29.656 25.905 1.00 3.74 H new ATOM 0 HE2 LYS A 18 6.765 29.281 23.595 1.00 1.47 H new ATOM 0 HE3 LYS A 18 6.354 30.028 25.127 1.00 1.47 H new ATOM 0 HZ1 LYS A 18 6.958 31.784 23.663 1.00 1.95 H new ATOM 0 HZ2 LYS A 18 8.284 31.602 24.707 1.00 1.95 H new ATOM 0 HZ3 LYS A 18 8.356 30.983 23.128 1.00 1.95 H new ATOM 292 N PRO A 19 11.243 25.141 22.208 1.00 1.97 N ATOM 293 CA PRO A 19 12.707 24.936 22.078 1.00 2.16 C ATOM 294 C PRO A 19 13.280 26.177 21.351 1.00 1.75 C ATOM 295 O PRO A 19 12.539 27.016 20.871 1.00 1.55 O ATOM 296 CB PRO A 19 12.780 23.635 21.316 1.00 2.57 C ATOM 297 CG PRO A 19 11.635 23.832 20.293 1.00 2.57 C ATOM 298 CD PRO A 19 10.477 24.425 21.154 1.00 2.09 C ATOM 0 HA PRO A 19 13.293 24.856 22.993 1.00 2.16 H new ATOM 0 HB2 PRO A 19 13.746 23.493 20.832 1.00 2.57 H new ATOM 0 HB3 PRO A 19 12.616 22.770 21.959 1.00 2.57 H new ATOM 0 HG2 PRO A 19 11.926 24.509 19.490 1.00 2.57 H new ATOM 0 HG3 PRO A 19 11.347 22.890 19.826 1.00 2.57 H new ATOM 0 HD2 PRO A 19 9.839 25.097 20.580 1.00 2.09 H new ATOM 0 HD3 PRO A 19 9.832 23.650 21.568 1.00 2.09 H new ATOM 306 N ALA A 20 14.574 26.249 21.295 1.00 1.69 N ATOM 307 CA ALA A 20 15.246 27.402 20.627 1.00 1.46 C ATOM 308 C ALA A 20 14.884 27.593 19.130 1.00 0.93 C ATOM 309 O ALA A 20 14.482 26.675 18.437 1.00 0.71 O ATOM 310 CB ALA A 20 16.750 27.174 20.805 1.00 1.73 C ATOM 0 H ALA A 20 15.208 25.552 21.687 1.00 1.69 H new ATOM 0 HA ALA A 20 14.901 28.326 21.091 1.00 1.46 H new ATOM 0 HB1 ALA A 20 17.300 27.989 20.335 1.00 1.73 H new ATOM 0 HB2 ALA A 20 16.990 27.140 21.868 1.00 1.73 H new ATOM 0 HB3 ALA A 20 17.032 26.230 20.339 1.00 1.73 H new ATOM 316 N ASP A 21 15.019 28.816 18.658 1.00 0.78 N ATOM 317 CA ASP A 21 14.716 29.143 17.223 1.00 0.39 C ATOM 318 C ASP A 21 15.403 28.024 16.424 1.00 0.45 C ATOM 319 O ASP A 21 14.790 27.383 15.600 1.00 0.43 O ATOM 320 CB ASP A 21 15.304 30.553 16.930 1.00 0.76 C ATOM 321 CG ASP A 21 14.294 31.467 16.228 1.00 1.79 C ATOM 322 OD1 ASP A 21 13.895 31.220 15.096 1.00 3.00 O ATOM 323 OD2 ASP A 21 13.903 32.448 16.841 1.00 3.29 O ATOM 0 H ASP A 21 15.331 29.611 19.215 1.00 0.78 H new ATOM 0 HA ASP A 21 13.657 29.183 16.968 1.00 0.39 H new ATOM 0 HB2 ASP A 21 15.620 31.015 17.866 1.00 0.76 H new ATOM 0 HB3 ASP A 21 16.193 30.452 16.308 1.00 0.76 H new ATOM 328 N GLU A 22 16.667 27.815 16.691 1.00 0.54 N ATOM 329 CA GLU A 22 17.439 26.743 15.998 1.00 0.59 C ATOM 330 C GLU A 22 16.642 25.426 16.012 1.00 0.57 C ATOM 331 O GLU A 22 16.540 24.762 15.006 1.00 0.53 O ATOM 332 CB GLU A 22 18.822 26.543 16.720 1.00 0.75 C ATOM 333 CG GLU A 22 19.637 27.880 16.879 1.00 0.83 C ATOM 334 CD GLU A 22 19.131 28.715 18.062 1.00 2.81 C ATOM 335 OE1 GLU A 22 19.371 28.259 19.165 1.00 2.49 O ATOM 336 OE2 GLU A 22 18.530 29.743 17.794 1.00 4.78 O ATOM 0 H GLU A 22 17.204 28.352 17.372 1.00 0.54 H new ATOM 0 HA GLU A 22 17.612 27.036 14.963 1.00 0.59 H new ATOM 0 HB2 GLU A 22 18.651 26.110 17.706 1.00 0.75 H new ATOM 0 HB3 GLU A 22 19.419 25.826 16.156 1.00 0.75 H new ATOM 0 HG2 GLU A 22 20.692 27.648 17.022 1.00 0.83 H new ATOM 0 HG3 GLU A 22 19.561 28.464 15.962 1.00 0.83 H new ATOM 343 N GLU A 23 16.070 25.060 17.123 1.00 0.70 N ATOM 344 CA GLU A 23 15.285 23.779 17.172 1.00 0.73 C ATOM 345 C GLU A 23 14.081 23.892 16.247 1.00 0.68 C ATOM 346 O GLU A 23 13.842 23.027 15.427 1.00 0.74 O ATOM 347 CB GLU A 23 14.861 23.548 18.634 1.00 0.70 C ATOM 348 CG GLU A 23 16.134 23.312 19.498 1.00 0.58 C ATOM 349 CD GLU A 23 16.705 21.913 19.253 1.00 1.87 C ATOM 350 OE1 GLU A 23 17.058 21.610 18.133 1.00 4.24 O ATOM 351 OE2 GLU A 23 16.781 21.151 20.201 1.00 0.81 O ATOM 0 H GLU A 23 16.107 25.583 17.998 1.00 0.70 H new ATOM 0 HA GLU A 23 15.880 22.930 16.834 1.00 0.73 H new ATOM 0 HB2 GLU A 23 14.307 24.410 19.006 1.00 0.70 H new ATOM 0 HB3 GLU A 23 14.195 22.688 18.702 1.00 0.70 H new ATOM 0 HG2 GLU A 23 16.886 24.064 19.259 1.00 0.58 H new ATOM 0 HG3 GLU A 23 15.890 23.430 20.554 1.00 0.58 H new ATOM 358 N MET A 24 13.383 24.977 16.438 1.00 0.61 N ATOM 359 CA MET A 24 12.169 25.270 15.621 1.00 0.59 C ATOM 360 C MET A 24 12.574 25.140 14.138 1.00 0.49 C ATOM 361 O MET A 24 11.811 24.634 13.337 1.00 0.44 O ATOM 362 CB MET A 24 11.687 26.688 15.972 1.00 0.61 C ATOM 363 CG MET A 24 11.218 26.748 17.440 1.00 0.72 C ATOM 364 SD MET A 24 10.283 28.233 17.875 1.00 0.85 S ATOM 365 CE MET A 24 8.658 27.662 17.316 1.00 1.26 C ATOM 0 H MET A 24 13.606 25.685 17.137 1.00 0.61 H new ATOM 0 HA MET A 24 11.349 24.580 15.821 1.00 0.59 H new ATOM 0 HB2 MET A 24 12.494 27.403 15.812 1.00 0.61 H new ATOM 0 HB3 MET A 24 10.870 26.975 15.310 1.00 0.61 H new ATOM 0 HG2 MET A 24 10.601 25.873 17.646 1.00 0.72 H new ATOM 0 HG3 MET A 24 12.091 26.682 18.089 1.00 0.72 H new ATOM 0 HE1 MET A 24 7.917 28.441 17.495 1.00 1.26 H new ATOM 0 HE2 MET A 24 8.698 27.437 16.250 1.00 1.26 H new ATOM 0 HE3 MET A 24 8.379 26.763 17.866 1.00 1.26 H new ATOM 375 N LEU A 25 13.762 25.616 13.849 1.00 0.47 N ATOM 376 CA LEU A 25 14.355 25.589 12.496 1.00 0.38 C ATOM 377 C LEU A 25 14.703 24.152 12.101 1.00 0.34 C ATOM 378 O LEU A 25 14.295 23.756 11.028 1.00 0.20 O ATOM 379 CB LEU A 25 15.560 26.558 12.591 1.00 0.39 C ATOM 380 CG LEU A 25 15.009 27.987 12.435 1.00 0.33 C ATOM 381 CD1 LEU A 25 16.053 29.047 12.774 1.00 0.41 C ATOM 382 CD2 LEU A 25 14.611 28.173 10.957 1.00 0.31 C ATOM 0 H LEU A 25 14.369 26.045 14.547 1.00 0.47 H new ATOM 0 HA LEU A 25 13.686 25.916 11.700 1.00 0.38 H new ATOM 0 HB2 LEU A 25 16.070 26.445 13.548 1.00 0.39 H new ATOM 0 HB3 LEU A 25 16.291 26.340 11.812 1.00 0.39 H new ATOM 0 HG LEU A 25 14.167 28.108 13.117 1.00 0.33 H new ATOM 0 HD11 LEU A 25 15.618 30.039 12.649 1.00 0.41 H new ATOM 0 HD12 LEU A 25 16.378 28.920 13.807 1.00 0.41 H new ATOM 0 HD13 LEU A 25 16.910 28.940 12.108 1.00 0.41 H new ATOM 0 HD21 LEU A 25 14.215 29.178 10.810 1.00 0.31 H new ATOM 0 HD22 LEU A 25 15.487 28.032 10.324 1.00 0.31 H new ATOM 0 HD23 LEU A 25 13.849 27.441 10.690 1.00 0.31 H new ATOM 394 N PHE A 26 15.409 23.421 12.927 1.00 0.48 N ATOM 395 CA PHE A 26 15.753 22.013 12.576 1.00 0.44 C ATOM 396 C PHE A 26 14.420 21.338 12.249 1.00 0.39 C ATOM 397 O PHE A 26 14.286 20.701 11.229 1.00 0.29 O ATOM 398 CB PHE A 26 16.444 21.328 13.783 1.00 0.54 C ATOM 399 CG PHE A 26 16.320 19.808 13.582 1.00 0.23 C ATOM 400 CD1 PHE A 26 15.162 19.163 13.970 1.00 0.89 C ATOM 401 CD2 PHE A 26 17.319 19.077 12.986 1.00 0.95 C ATOM 402 CE1 PHE A 26 15.004 17.811 13.760 1.00 1.47 C ATOM 403 CE2 PHE A 26 17.168 17.725 12.775 1.00 1.50 C ATOM 404 CZ PHE A 26 16.009 17.089 13.159 1.00 1.66 C ATOM 0 H PHE A 26 15.761 23.741 13.829 1.00 0.48 H new ATOM 0 HA PHE A 26 16.443 21.949 11.735 1.00 0.44 H new ATOM 0 HB2 PHE A 26 17.492 21.623 13.844 1.00 0.54 H new ATOM 0 HB3 PHE A 26 15.973 21.631 14.718 1.00 0.54 H new ATOM 0 HD1 PHE A 26 14.371 19.725 14.444 1.00 0.89 H new ATOM 0 HD2 PHE A 26 18.231 19.568 12.680 1.00 0.95 H new ATOM 0 HE1 PHE A 26 14.093 17.319 14.067 1.00 1.47 H new ATOM 0 HE2 PHE A 26 17.961 17.161 12.307 1.00 1.50 H new ATOM 0 HZ PHE A 26 15.889 16.029 12.989 1.00 1.66 H new ATOM 414 N ILE A 27 13.473 21.513 13.136 1.00 0.48 N ATOM 415 CA ILE A 27 12.119 20.912 12.942 1.00 0.49 C ATOM 416 C ILE A 27 11.621 21.507 11.612 1.00 0.39 C ATOM 417 O ILE A 27 11.709 20.815 10.628 1.00 0.28 O ATOM 418 CB ILE A 27 11.277 21.323 14.179 1.00 0.67 C ATOM 419 CG1 ILE A 27 11.881 20.692 15.497 1.00 1.30 C ATOM 420 CG2 ILE A 27 9.795 20.912 14.007 1.00 0.95 C ATOM 421 CD1 ILE A 27 11.885 19.152 15.457 1.00 0.79 C ATOM 0 H ILE A 27 13.582 22.052 13.995 1.00 0.48 H new ATOM 0 HA ILE A 27 12.077 19.825 12.877 1.00 0.49 H new ATOM 0 HB ILE A 27 11.316 22.409 14.266 1.00 0.67 H new ATOM 0 HG12 ILE A 27 12.900 21.053 15.636 1.00 1.30 H new ATOM 0 HG13 ILE A 27 11.303 21.030 16.357 1.00 1.30 H new ATOM 0 HG21 ILE A 27 9.229 21.213 14.889 1.00 0.95 H new ATOM 0 HG22 ILE A 27 9.381 21.403 13.126 1.00 0.95 H new ATOM 0 HG23 ILE A 27 9.729 19.831 13.885 1.00 0.95 H new ATOM 0 HD11 ILE A 27 12.309 18.765 16.384 1.00 0.79 H new ATOM 0 HD12 ILE A 27 10.864 18.788 15.346 1.00 0.79 H new ATOM 0 HD13 ILE A 27 12.485 18.812 14.613 1.00 0.79 H new ATOM 433 N TYR A 28 11.109 22.713 11.603 1.00 0.45 N ATOM 434 CA TYR A 28 10.626 23.354 10.323 1.00 0.42 C ATOM 435 C TYR A 28 11.269 22.745 9.055 1.00 0.29 C ATOM 436 O TYR A 28 10.598 22.258 8.166 1.00 0.39 O ATOM 437 CB TYR A 28 10.935 24.869 10.291 1.00 0.42 C ATOM 438 CG TYR A 28 10.181 25.400 9.050 1.00 0.42 C ATOM 439 CD1 TYR A 28 8.813 25.575 9.118 1.00 2.47 C ATOM 440 CD2 TYR A 28 10.821 25.675 7.852 1.00 2.33 C ATOM 441 CE1 TYR A 28 8.097 26.006 8.021 1.00 2.58 C ATOM 442 CE2 TYR A 28 10.094 26.111 6.752 1.00 2.21 C ATOM 443 CZ TYR A 28 8.726 26.276 6.837 1.00 0.48 C ATOM 444 OH TYR A 28 7.954 26.700 5.774 1.00 0.60 O ATOM 0 H TYR A 28 11.001 23.294 12.434 1.00 0.45 H new ATOM 0 HA TYR A 28 9.552 23.168 10.315 1.00 0.42 H new ATOM 0 HB2 TYR A 28 10.594 25.362 11.202 1.00 0.42 H new ATOM 0 HB3 TYR A 28 12.006 25.053 10.211 1.00 0.42 H new ATOM 0 HD1 TYR A 28 8.296 25.371 10.044 1.00 2.47 H new ATOM 0 HD2 TYR A 28 11.891 25.550 7.773 1.00 2.33 H new ATOM 0 HE1 TYR A 28 7.027 26.132 8.098 1.00 2.58 H new ATOM 0 HE2 TYR A 28 10.603 26.323 5.823 1.00 2.21 H new ATOM 0 HH TYR A 28 8.533 27.079 5.080 1.00 0.60 H new ATOM 454 N SER A 29 12.575 22.780 8.998 1.00 0.14 N ATOM 455 CA SER A 29 13.379 22.243 7.851 1.00 0.14 C ATOM 456 C SER A 29 13.207 20.728 7.681 1.00 0.26 C ATOM 457 O SER A 29 12.666 20.276 6.690 1.00 0.46 O ATOM 458 CB SER A 29 14.862 22.633 8.145 1.00 0.14 C ATOM 459 OG SER A 29 15.183 21.899 9.319 1.00 0.16 O ATOM 0 H SER A 29 13.149 23.181 9.740 1.00 0.14 H new ATOM 0 HA SER A 29 13.041 22.669 6.906 1.00 0.14 H new ATOM 0 HB2 SER A 29 15.517 22.366 7.316 1.00 0.14 H new ATOM 0 HB3 SER A 29 14.969 23.706 8.303 1.00 0.14 H new ATOM 0 HG SER A 29 14.915 22.413 10.109 1.00 0.16 H new ATOM 465 N HIS A 30 13.656 19.955 8.626 1.00 0.26 N ATOM 466 CA HIS A 30 13.521 18.470 8.546 1.00 0.30 C ATOM 467 C HIS A 30 12.056 18.088 8.298 1.00 0.31 C ATOM 468 O HIS A 30 11.807 17.075 7.684 1.00 0.49 O ATOM 469 CB HIS A 30 14.068 17.891 9.860 1.00 0.32 C ATOM 470 CG HIS A 30 15.590 17.864 9.768 1.00 0.35 C ATOM 471 ND1 HIS A 30 16.288 16.785 9.645 1.00 2.49 N ATOM 472 CD2 HIS A 30 16.522 18.882 9.780 1.00 1.71 C ATOM 473 CE1 HIS A 30 17.552 17.087 9.579 1.00 2.01 C ATOM 474 NE2 HIS A 30 17.736 18.382 9.660 1.00 0.64 N ATOM 0 H HIS A 30 14.121 20.293 9.469 1.00 0.26 H new ATOM 0 HA HIS A 30 14.089 18.058 7.712 1.00 0.30 H new ATOM 0 HB2 HIS A 30 13.748 18.499 10.706 1.00 0.32 H new ATOM 0 HB3 HIS A 30 13.679 16.886 10.025 1.00 0.32 H new ATOM 0 HD2 HIS A 30 16.291 19.933 9.874 1.00 1.71 H new ATOM 0 HE1 HIS A 30 18.347 16.364 9.471 1.00 2.01 H new ATOM 0 HE2 HIS A 30 18.620 18.889 9.636 1.00 0.64 H new ATOM 482 N TYR A 31 11.136 18.888 8.771 1.00 0.25 N ATOM 483 CA TYR A 31 9.684 18.592 8.560 1.00 0.24 C ATOM 484 C TYR A 31 9.387 18.824 7.071 1.00 0.19 C ATOM 485 O TYR A 31 8.744 18.009 6.423 1.00 0.19 O ATOM 486 CB TYR A 31 8.797 19.546 9.396 1.00 0.22 C ATOM 487 CG TYR A 31 7.315 19.211 9.123 1.00 0.25 C ATOM 488 CD1 TYR A 31 6.689 18.135 9.722 1.00 0.27 C ATOM 489 CD2 TYR A 31 6.597 19.981 8.238 1.00 0.36 C ATOM 490 CE1 TYR A 31 5.364 17.842 9.431 1.00 0.41 C ATOM 491 CE2 TYR A 31 5.280 19.690 7.947 1.00 0.44 C ATOM 492 CZ TYR A 31 4.660 18.619 8.541 1.00 0.47 C ATOM 493 OH TYR A 31 3.347 18.328 8.240 1.00 0.56 O ATOM 0 H TYR A 31 11.328 19.740 9.298 1.00 0.25 H new ATOM 0 HA TYR A 31 9.468 17.568 8.866 1.00 0.24 H new ATOM 0 HB2 TYR A 31 9.020 19.436 10.457 1.00 0.22 H new ATOM 0 HB3 TYR A 31 9.005 20.583 9.132 1.00 0.22 H new ATOM 0 HD1 TYR A 31 7.234 17.518 10.421 1.00 0.27 H new ATOM 0 HD2 TYR A 31 7.072 20.827 7.763 1.00 0.36 H new ATOM 0 HE1 TYR A 31 4.883 17.000 9.906 1.00 0.41 H new ATOM 0 HE2 TYR A 31 4.735 20.308 7.249 1.00 0.44 H new ATOM 0 HH TYR A 31 3.007 18.982 7.594 1.00 0.56 H new ATOM 503 N LYS A 32 9.859 19.930 6.548 1.00 0.14 N ATOM 504 CA LYS A 32 9.561 20.142 5.095 1.00 0.08 C ATOM 505 C LYS A 32 10.279 19.106 4.227 1.00 0.09 C ATOM 506 O LYS A 32 9.661 18.612 3.309 1.00 0.29 O ATOM 507 CB LYS A 32 9.989 21.535 4.600 1.00 0.25 C ATOM 508 CG LYS A 32 9.208 22.694 5.212 1.00 0.13 C ATOM 509 CD LYS A 32 7.681 22.361 5.091 1.00 0.44 C ATOM 510 CE LYS A 32 6.825 23.574 5.313 1.00 0.40 C ATOM 511 NZ LYS A 32 7.218 24.521 4.231 1.00 2.16 N ATOM 0 H LYS A 32 10.401 20.651 7.023 1.00 0.14 H new ATOM 0 HA LYS A 32 8.479 20.043 5.002 1.00 0.08 H new ATOM 0 HB2 LYS A 32 11.048 21.673 4.816 1.00 0.25 H new ATOM 0 HB3 LYS A 32 9.878 21.571 3.516 1.00 0.25 H new ATOM 0 HG2 LYS A 32 9.487 22.833 6.257 1.00 0.13 H new ATOM 0 HG3 LYS A 32 9.438 23.625 4.694 1.00 0.13 H new ATOM 0 HD2 LYS A 32 7.477 21.948 4.103 1.00 0.44 H new ATOM 0 HD3 LYS A 32 7.418 21.593 5.818 1.00 0.44 H new ATOM 0 HE2 LYS A 32 5.765 23.326 5.256 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.999 24.006 6.299 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 7.707 25.339 4.647 1.00 2.16 H new ATOM 0 HZ2 LYS A 32 7.854 24.040 3.563 1.00 2.16 H new ATOM 0 HZ3 LYS A 32 6.368 24.845 3.728 1.00 2.16 H new ATOM 525 N GLN A 33 11.524 18.796 4.489 1.00 0.16 N ATOM 526 CA GLN A 33 12.172 17.754 3.603 1.00 0.14 C ATOM 527 C GLN A 33 11.443 16.411 3.874 1.00 0.22 C ATOM 528 O GLN A 33 11.129 15.670 2.966 1.00 0.29 O ATOM 529 CB GLN A 33 13.695 17.628 3.927 1.00 0.15 C ATOM 530 CG GLN A 33 14.343 16.520 3.026 1.00 1.37 C ATOM 531 CD GLN A 33 14.126 16.766 1.528 1.00 0.33 C ATOM 532 OE1 GLN A 33 13.224 16.274 0.891 1.00 1.76 O ATOM 533 NE2 GLN A 33 14.927 17.534 0.881 1.00 1.28 N ATOM 0 H GLN A 33 12.102 19.188 5.233 1.00 0.16 H new ATOM 0 HA GLN A 33 12.088 18.034 2.553 1.00 0.14 H new ATOM 0 HB2 GLN A 33 14.192 18.583 3.758 1.00 0.15 H new ATOM 0 HB3 GLN A 33 13.832 17.379 4.979 1.00 0.15 H new ATOM 0 HG2 GLN A 33 15.413 16.473 3.230 1.00 1.37 H new ATOM 0 HG3 GLN A 33 13.924 15.550 3.294 1.00 1.37 H new ATOM 0 HE21 GLN A 33 15.708 17.979 1.363 1.00 1.28 H new ATOM 0 HE22 GLN A 33 14.782 17.699 -0.115 1.00 1.28 H new ATOM 542 N ALA A 34 11.180 16.109 5.123 1.00 0.30 N ATOM 543 CA ALA A 34 10.480 14.845 5.475 1.00 0.32 C ATOM 544 C ALA A 34 9.089 14.711 4.796 1.00 0.32 C ATOM 545 O ALA A 34 8.709 13.608 4.455 1.00 0.52 O ATOM 546 CB ALA A 34 10.358 14.830 7.000 1.00 0.32 C ATOM 0 H ALA A 34 11.426 16.696 5.920 1.00 0.30 H new ATOM 0 HA ALA A 34 11.051 13.992 5.109 1.00 0.32 H new ATOM 0 HB1 ALA A 34 9.849 13.919 7.315 1.00 0.32 H new ATOM 0 HB2 ALA A 34 11.353 14.862 7.445 1.00 0.32 H new ATOM 0 HB3 ALA A 34 9.785 15.698 7.328 1.00 0.32 H new ATOM 552 N THR A 35 8.390 15.812 4.634 1.00 0.25 N ATOM 553 CA THR A 35 7.016 15.741 3.980 1.00 0.26 C ATOM 554 C THR A 35 6.734 16.437 2.651 1.00 0.22 C ATOM 555 O THR A 35 5.906 15.970 1.898 1.00 0.32 O ATOM 556 CB THR A 35 5.947 16.251 4.949 1.00 0.25 C ATOM 557 OG1 THR A 35 6.252 17.620 5.136 1.00 0.15 O ATOM 558 CG2 THR A 35 6.150 15.705 6.337 1.00 0.32 C ATOM 0 H THR A 35 8.693 16.744 4.916 1.00 0.25 H new ATOM 0 HA THR A 35 6.992 14.679 3.736 1.00 0.26 H new ATOM 0 HB THR A 35 4.963 15.996 4.554 1.00 0.25 H new ATOM 0 HG1 THR A 35 7.096 17.703 5.627 1.00 0.15 H new ATOM 0 HG21 THR A 35 5.372 16.089 6.997 1.00 0.32 H new ATOM 0 HG22 THR A 35 6.099 14.617 6.311 1.00 0.32 H new ATOM 0 HG23 THR A 35 7.127 16.013 6.710 1.00 0.32 H new ATOM 566 N VAL A 36 7.399 17.518 2.380 1.00 0.13 N ATOM 567 CA VAL A 36 7.193 18.284 1.091 1.00 0.13 C ATOM 568 C VAL A 36 8.275 17.873 0.086 1.00 0.22 C ATOM 569 O VAL A 36 8.002 17.595 -1.068 1.00 0.39 O ATOM 570 CB VAL A 36 7.284 19.829 1.386 1.00 0.19 C ATOM 571 CG1 VAL A 36 7.226 20.676 0.070 1.00 0.24 C ATOM 572 CG2 VAL A 36 6.093 20.244 2.274 1.00 0.15 C ATOM 0 H VAL A 36 8.097 17.925 3.002 1.00 0.13 H new ATOM 0 HA VAL A 36 6.212 18.059 0.673 1.00 0.13 H new ATOM 0 HB VAL A 36 8.236 20.017 1.882 1.00 0.19 H new ATOM 0 HG11 VAL A 36 7.292 21.736 0.316 1.00 0.24 H new ATOM 0 HG12 VAL A 36 8.060 20.401 -0.576 1.00 0.24 H new ATOM 0 HG13 VAL A 36 6.286 20.481 -0.447 1.00 0.24 H new ATOM 0 HG21 VAL A 36 6.149 21.312 2.482 1.00 0.15 H new ATOM 0 HG22 VAL A 36 5.159 20.024 1.756 1.00 0.15 H new ATOM 0 HG23 VAL A 36 6.128 19.689 3.212 1.00 0.15 H new ATOM 582 N GLY A 37 9.473 17.849 0.596 1.00 0.23 N ATOM 583 CA GLY A 37 10.696 17.480 -0.186 1.00 0.26 C ATOM 584 C GLY A 37 11.711 18.627 -0.153 1.00 0.13 C ATOM 585 O GLY A 37 11.783 19.400 0.798 1.00 0.13 O ATOM 0 H GLY A 37 9.667 18.081 1.570 1.00 0.23 H new ATOM 0 HA2 GLY A 37 11.143 16.577 0.229 1.00 0.26 H new ATOM 0 HA3 GLY A 37 10.423 17.256 -1.217 1.00 0.26 H new ATOM 589 N ASP A 38 12.483 18.694 -1.203 1.00 0.18 N ATOM 590 CA ASP A 38 13.492 19.757 -1.294 1.00 0.34 C ATOM 591 C ASP A 38 12.738 21.076 -1.519 1.00 0.26 C ATOM 592 O ASP A 38 11.686 21.148 -2.127 1.00 0.60 O ATOM 593 CB ASP A 38 14.392 19.411 -2.474 1.00 0.70 C ATOM 594 CG ASP A 38 14.768 17.944 -2.424 1.00 0.74 C ATOM 595 OD1 ASP A 38 15.757 17.637 -1.790 1.00 2.30 O ATOM 596 OD2 ASP A 38 14.009 17.215 -3.027 1.00 1.60 O ATOM 0 H ASP A 38 12.450 18.053 -1.996 1.00 0.18 H new ATOM 0 HA ASP A 38 14.105 19.853 -0.398 1.00 0.34 H new ATOM 0 HB2 ASP A 38 13.880 19.632 -3.410 1.00 0.70 H new ATOM 0 HB3 ASP A 38 15.291 20.027 -2.449 1.00 0.70 H new ATOM 601 N ILE A 39 13.322 22.095 -0.981 1.00 0.35 N ATOM 602 CA ILE A 39 12.729 23.437 -1.120 1.00 0.36 C ATOM 603 C ILE A 39 12.517 23.802 -2.609 1.00 0.74 C ATOM 604 O ILE A 39 13.379 24.239 -3.343 1.00 1.11 O ATOM 605 CB ILE A 39 13.686 24.325 -0.338 1.00 0.18 C ATOM 606 CG1 ILE A 39 12.856 25.569 -0.040 1.00 0.32 C ATOM 607 CG2 ILE A 39 15.044 24.549 -1.091 1.00 0.53 C ATOM 608 CD1 ILE A 39 13.457 26.260 1.180 1.00 0.69 C ATOM 0 H ILE A 39 14.190 22.055 -0.447 1.00 0.35 H new ATOM 0 HA ILE A 39 11.720 23.540 -0.721 1.00 0.36 H new ATOM 0 HB ILE A 39 14.045 23.887 0.594 1.00 0.18 H new ATOM 0 HG12 ILE A 39 12.858 26.242 -0.898 1.00 0.32 H new ATOM 0 HG13 ILE A 39 11.818 25.297 0.150 1.00 0.32 H new ATOM 0 HG21 ILE A 39 15.691 25.189 -0.491 1.00 0.53 H new ATOM 0 HG22 ILE A 39 15.533 23.588 -1.253 1.00 0.53 H new ATOM 0 HG23 ILE A 39 14.853 25.026 -2.052 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.879 27.154 1.413 1.00 0.69 H new ATOM 0 HD12 ILE A 39 13.433 25.580 2.032 1.00 0.69 H new ATOM 0 HD13 ILE A 39 14.489 26.540 0.968 1.00 0.69 H new ATOM 805 N LYS A 52 13.664 33.855 6.359 1.00 0.61 N ATOM 806 CA LYS A 52 14.959 33.413 5.750 1.00 0.56 C ATOM 807 C LYS A 52 15.460 32.219 6.543 1.00 0.47 C ATOM 808 O LYS A 52 15.920 31.271 5.961 1.00 0.50 O ATOM 809 CB LYS A 52 16.037 34.535 5.827 1.00 0.60 C ATOM 810 CG LYS A 52 17.492 33.890 5.784 1.00 1.17 C ATOM 811 CD LYS A 52 18.603 34.947 5.703 1.00 0.86 C ATOM 812 CE LYS A 52 18.833 35.614 7.047 1.00 2.08 C ATOM 813 NZ LYS A 52 19.557 36.889 6.769 1.00 3.83 N ATOM 0 HA LYS A 52 14.790 33.168 4.701 1.00 0.56 H new ATOM 0 HB2 LYS A 52 15.912 35.229 4.996 1.00 0.60 H new ATOM 0 HB3 LYS A 52 15.911 35.110 6.744 1.00 0.60 H new ATOM 0 HG2 LYS A 52 17.641 33.279 6.674 1.00 1.17 H new ATOM 0 HG3 LYS A 52 17.565 33.224 4.924 1.00 1.17 H new ATOM 0 HD2 LYS A 52 19.528 34.480 5.364 1.00 0.86 H new ATOM 0 HD3 LYS A 52 18.337 35.701 4.962 1.00 0.86 H new ATOM 0 HE2 LYS A 52 17.886 35.808 7.551 1.00 2.08 H new ATOM 0 HE3 LYS A 52 19.418 34.971 7.704 1.00 2.08 H new ATOM 0 HZ1 LYS A 52 19.739 37.387 7.664 1.00 3.83 H new ATOM 0 HZ2 LYS A 52 20.461 36.680 6.299 1.00 3.83 H new ATOM 0 HZ3 LYS A 52 18.976 37.490 6.151 1.00 3.83 H new ATOM 827 N ALA A 53 15.333 32.291 7.846 1.00 0.43 N ATOM 828 CA ALA A 53 15.826 31.157 8.667 1.00 0.39 C ATOM 829 C ALA A 53 15.049 29.915 8.259 1.00 0.44 C ATOM 830 O ALA A 53 15.635 28.985 7.751 1.00 0.43 O ATOM 831 CB ALA A 53 15.611 31.521 10.132 1.00 0.25 C ATOM 0 H ALA A 53 14.919 33.068 8.361 1.00 0.43 H new ATOM 0 HA ALA A 53 16.887 30.956 8.517 1.00 0.39 H new ATOM 0 HB1 ALA A 53 15.964 30.707 10.765 1.00 0.25 H new ATOM 0 HB2 ALA A 53 16.166 32.429 10.367 1.00 0.25 H new ATOM 0 HB3 ALA A 53 14.549 31.688 10.313 1.00 0.25 H new ATOM 837 N LYS A 54 13.761 29.909 8.470 1.00 0.53 N ATOM 838 CA LYS A 54 12.986 28.689 8.068 1.00 0.54 C ATOM 839 C LYS A 54 13.232 28.219 6.605 1.00 0.57 C ATOM 840 O LYS A 54 13.553 27.065 6.364 1.00 0.51 O ATOM 841 CB LYS A 54 11.482 28.993 8.309 1.00 0.98 C ATOM 842 CG LYS A 54 11.081 28.647 9.775 1.00 2.49 C ATOM 843 CD LYS A 54 11.506 29.763 10.788 1.00 5.11 C ATOM 844 CE LYS A 54 11.555 29.256 12.248 1.00 7.25 C ATOM 845 NZ LYS A 54 10.343 28.412 12.507 1.00 8.92 N ATOM 0 H LYS A 54 13.221 30.666 8.889 1.00 0.53 H new ATOM 0 HA LYS A 54 13.332 27.855 8.678 1.00 0.54 H new ATOM 0 HB2 LYS A 54 11.282 30.046 8.110 1.00 0.98 H new ATOM 0 HB3 LYS A 54 10.873 28.416 7.614 1.00 0.98 H new ATOM 0 HG2 LYS A 54 10.002 28.502 9.829 1.00 2.49 H new ATOM 0 HG3 LYS A 54 11.544 27.703 10.063 1.00 2.49 H new ATOM 0 HD2 LYS A 54 12.487 30.148 10.508 1.00 5.11 H new ATOM 0 HD3 LYS A 54 10.806 30.596 10.720 1.00 5.11 H new ATOM 0 HE2 LYS A 54 12.462 28.675 12.416 1.00 7.25 H new ATOM 0 HE3 LYS A 54 11.583 30.098 12.939 1.00 7.25 H new ATOM 0 HZ1 LYS A 54 10.198 28.318 13.533 1.00 8.92 H new ATOM 0 HZ2 LYS A 54 9.509 28.862 12.079 1.00 8.92 H new ATOM 0 HZ3 LYS A 54 10.481 27.470 12.089 1.00 8.92 H new ATOM 859 N TRP A 55 13.096 29.124 5.672 1.00 0.73 N ATOM 860 CA TRP A 55 13.294 28.790 4.236 1.00 0.85 C ATOM 861 C TRP A 55 14.661 28.204 4.004 1.00 0.80 C ATOM 862 O TRP A 55 14.820 27.073 3.612 1.00 0.76 O ATOM 863 CB TRP A 55 13.166 30.054 3.342 1.00 0.95 C ATOM 864 CG TRP A 55 13.095 29.601 1.861 1.00 0.92 C ATOM 865 CD1 TRP A 55 11.925 29.392 1.178 1.00 0.94 C ATOM 866 CD2 TRP A 55 14.145 29.309 1.032 1.00 0.92 C ATOM 867 NE1 TRP A 55 12.353 28.986 0.001 1.00 0.97 N ATOM 868 CE2 TRP A 55 13.638 28.907 -0.187 1.00 0.97 C ATOM 869 CE3 TRP A 55 15.529 29.320 1.157 1.00 0.91 C ATOM 870 CZ2 TRP A 55 14.437 28.534 -1.255 1.00 1.01 C ATOM 871 CZ3 TRP A 55 16.365 28.945 0.104 1.00 0.94 C ATOM 872 CH2 TRP A 55 15.821 28.551 -1.110 1.00 1.01 C ATOM 0 H TRP A 55 12.851 30.098 5.851 1.00 0.73 H new ATOM 0 HA TRP A 55 12.522 28.067 3.973 1.00 0.85 H new ATOM 0 HB2 TRP A 55 12.273 30.619 3.609 1.00 0.95 H new ATOM 0 HB3 TRP A 55 14.019 30.715 3.496 1.00 0.95 H new ATOM 0 HD1 TRP A 55 10.909 29.526 1.519 1.00 0.94 H new ATOM 0 HE1 TRP A 55 11.697 28.741 -0.741 1.00 0.97 H new ATOM 0 HE3 TRP A 55 15.970 29.627 2.094 1.00 0.91 H new ATOM 0 HZ2 TRP A 55 13.990 28.233 -2.191 1.00 1.01 H new ATOM 0 HZ3 TRP A 55 17.437 28.962 0.234 1.00 0.94 H new ATOM 0 HH2 TRP A 55 16.462 28.262 -1.930 1.00 1.01 H new ATOM 883 N ASP A 56 15.624 29.020 4.291 1.00 0.79 N ATOM 884 CA ASP A 56 17.055 28.622 4.111 1.00 0.79 C ATOM 885 C ASP A 56 17.384 27.345 4.869 1.00 0.60 C ATOM 886 O ASP A 56 17.951 26.430 4.309 1.00 0.62 O ATOM 887 CB ASP A 56 17.913 29.783 4.578 1.00 0.86 C ATOM 888 CG ASP A 56 17.709 31.007 3.692 1.00 1.16 C ATOM 889 OD1 ASP A 56 16.608 31.353 3.294 1.00 1.28 O ATOM 890 OD2 ASP A 56 18.703 31.630 3.414 1.00 1.35 O ATOM 0 H ASP A 56 15.487 29.965 4.650 1.00 0.79 H new ATOM 0 HA ASP A 56 17.253 28.405 3.061 1.00 0.79 H new ATOM 0 HB2 ASP A 56 17.664 30.031 5.610 1.00 0.86 H new ATOM 0 HB3 ASP A 56 18.963 29.492 4.565 1.00 0.86 H new ATOM 895 N ALA A 57 17.018 27.301 6.121 1.00 0.41 N ATOM 896 CA ALA A 57 17.266 26.112 6.994 1.00 0.22 C ATOM 897 C ALA A 57 16.635 24.881 6.314 1.00 0.19 C ATOM 898 O ALA A 57 17.145 23.782 6.377 1.00 0.18 O ATOM 899 CB ALA A 57 16.637 26.397 8.364 1.00 0.09 C ATOM 0 H ALA A 57 16.539 28.068 6.593 1.00 0.41 H new ATOM 0 HA ALA A 57 18.329 25.916 7.136 1.00 0.22 H new ATOM 0 HB1 ALA A 57 16.802 25.546 9.024 1.00 0.09 H new ATOM 0 HB2 ALA A 57 17.095 27.286 8.797 1.00 0.09 H new ATOM 0 HB3 ALA A 57 15.566 26.562 8.245 1.00 0.09 H new ATOM 905 N TRP A 58 15.509 25.076 5.677 1.00 0.29 N ATOM 906 CA TRP A 58 14.880 23.918 4.988 1.00 0.37 C ATOM 907 C TRP A 58 15.726 23.695 3.735 1.00 0.41 C ATOM 908 O TRP A 58 16.151 22.583 3.543 1.00 0.41 O ATOM 909 CB TRP A 58 13.457 24.274 4.650 1.00 0.46 C ATOM 910 CG TRP A 58 12.878 23.217 3.689 1.00 0.40 C ATOM 911 CD1 TRP A 58 13.337 21.929 3.460 1.00 0.42 C ATOM 912 CD2 TRP A 58 11.803 23.457 2.908 1.00 0.33 C ATOM 913 NE1 TRP A 58 12.482 21.512 2.543 1.00 0.33 N ATOM 914 CE2 TRP A 58 11.539 22.335 2.147 1.00 0.28 C ATOM 915 CE3 TRP A 58 10.983 24.576 2.785 1.00 0.34 C ATOM 916 CZ2 TRP A 58 10.478 22.293 1.258 1.00 0.27 C ATOM 917 CZ3 TRP A 58 9.907 24.554 1.899 1.00 0.36 C ATOM 918 CH2 TRP A 58 9.659 23.414 1.137 1.00 0.36 C ATOM 0 H TRP A 58 15.011 25.963 5.606 1.00 0.29 H new ATOM 0 HA TRP A 58 14.847 23.012 5.593 1.00 0.37 H new ATOM 0 HB2 TRP A 58 12.857 24.322 5.559 1.00 0.46 H new ATOM 0 HB3 TRP A 58 13.417 25.261 4.189 1.00 0.46 H new ATOM 0 HD1 TRP A 58 14.169 21.407 3.910 1.00 0.42 H new ATOM 0 HE1 TRP A 58 12.553 20.573 2.152 1.00 0.33 H new ATOM 0 HE3 TRP A 58 11.180 25.459 3.375 1.00 0.34 H new ATOM 0 HZ2 TRP A 58 10.289 21.408 0.669 1.00 0.27 H new ATOM 0 HZ3 TRP A 58 9.267 25.419 1.803 1.00 0.36 H new ATOM 0 HH2 TRP A 58 8.827 23.399 0.448 1.00 0.36 H new ATOM 929 N ASN A 59 15.938 24.699 2.929 1.00 0.48 N ATOM 930 CA ASN A 59 16.764 24.596 1.682 1.00 0.55 C ATOM 931 C ASN A 59 17.987 23.733 1.939 1.00 0.56 C ATOM 932 O ASN A 59 18.280 22.857 1.154 1.00 0.67 O ATOM 933 CB ASN A 59 17.138 26.034 1.276 1.00 0.56 C ATOM 934 CG ASN A 59 18.306 26.128 0.315 1.00 0.84 C ATOM 935 OD1 ASN A 59 18.310 25.607 -0.787 1.00 1.02 O ATOM 936 ND2 ASN A 59 19.323 26.803 0.738 1.00 1.00 N ATOM 0 H ASN A 59 15.556 25.631 3.089 1.00 0.48 H new ATOM 0 HA ASN A 59 16.216 24.118 0.870 1.00 0.55 H new ATOM 0 HB2 ASN A 59 16.269 26.508 0.820 1.00 0.56 H new ATOM 0 HB3 ASN A 59 17.376 26.602 2.175 1.00 0.56 H new ATOM 0 HD21 ASN A 59 20.148 26.907 0.147 1.00 1.00 H new ATOM 0 HD22 ASN A 59 19.301 27.232 1.663 1.00 1.00 H new ATOM 943 N GLU A 60 18.625 24.036 3.032 1.00 0.48 N ATOM 944 CA GLU A 60 19.845 23.329 3.504 1.00 0.48 C ATOM 945 C GLU A 60 19.729 21.779 3.330 1.00 0.44 C ATOM 946 O GLU A 60 20.697 21.071 3.142 1.00 0.41 O ATOM 947 CB GLU A 60 20.001 23.738 4.961 1.00 0.43 C ATOM 948 CG GLU A 60 21.234 23.068 5.581 1.00 0.44 C ATOM 949 CD GLU A 60 21.222 23.298 7.088 1.00 0.60 C ATOM 950 OE1 GLU A 60 21.658 24.371 7.469 1.00 1.34 O ATOM 951 OE2 GLU A 60 20.759 22.375 7.739 1.00 1.04 O ATOM 0 H GLU A 60 18.330 24.790 3.652 1.00 0.48 H new ATOM 0 HA GLU A 60 20.722 23.602 2.918 1.00 0.48 H new ATOM 0 HB2 GLU A 60 20.095 24.822 5.032 1.00 0.43 H new ATOM 0 HB3 GLU A 60 19.108 23.458 5.520 1.00 0.43 H new ATOM 0 HG2 GLU A 60 21.231 22.000 5.364 1.00 0.44 H new ATOM 0 HG3 GLU A 60 22.144 23.479 5.145 1.00 0.44 H new ATOM 958 N LEU A 61 18.509 21.310 3.392 1.00 0.43 N ATOM 959 CA LEU A 61 18.151 19.866 3.268 1.00 0.37 C ATOM 960 C LEU A 61 17.957 19.315 1.841 1.00 0.30 C ATOM 961 O LEU A 61 17.728 18.131 1.670 1.00 0.27 O ATOM 962 CB LEU A 61 16.887 19.666 4.122 1.00 0.55 C ATOM 963 CG LEU A 61 17.117 20.248 5.554 1.00 0.59 C ATOM 964 CD1 LEU A 61 15.931 19.880 6.412 1.00 0.51 C ATOM 965 CD2 LEU A 61 18.387 19.690 6.230 1.00 0.59 C ATOM 0 H LEU A 61 17.698 21.912 3.533 1.00 0.43 H new ATOM 0 HA LEU A 61 19.006 19.286 3.615 1.00 0.37 H new ATOM 0 HB2 LEU A 61 16.037 20.160 3.651 1.00 0.55 H new ATOM 0 HB3 LEU A 61 16.644 18.605 4.185 1.00 0.55 H new ATOM 0 HG LEU A 61 17.238 21.327 5.454 1.00 0.59 H new ATOM 0 HD11 LEU A 61 16.072 20.277 7.417 1.00 0.51 H new ATOM 0 HD12 LEU A 61 15.024 20.302 5.979 1.00 0.51 H new ATOM 0 HD13 LEU A 61 15.840 18.795 6.460 1.00 0.51 H new ATOM 0 HD21 LEU A 61 18.495 20.130 7.221 1.00 0.59 H new ATOM 0 HD22 LEU A 61 18.305 18.607 6.321 1.00 0.59 H new ATOM 0 HD23 LEU A 61 19.260 19.938 5.626 1.00 0.59 H new ATOM 977 N LYS A 62 18.042 20.158 0.845 1.00 0.66 N ATOM 978 CA LYS A 62 17.885 19.719 -0.573 1.00 1.07 C ATOM 979 C LYS A 62 18.982 18.650 -0.774 1.00 1.74 C ATOM 980 O LYS A 62 20.165 18.922 -0.693 1.00 3.91 O ATOM 981 CB LYS A 62 18.082 20.973 -1.453 1.00 0.82 C ATOM 982 CG LYS A 62 18.018 20.609 -2.968 1.00 1.58 C ATOM 983 CD LYS A 62 18.416 21.858 -3.809 1.00 1.67 C ATOM 984 CE LYS A 62 17.485 23.046 -3.509 1.00 3.00 C ATOM 985 NZ LYS A 62 18.033 24.251 -4.212 1.00 2.97 N ATOM 0 H LYS A 62 18.218 21.156 0.959 1.00 0.66 H new ATOM 0 HA LYS A 62 16.915 19.293 -0.830 1.00 1.07 H new ATOM 0 HB2 LYS A 62 17.313 21.710 -1.220 1.00 0.82 H new ATOM 0 HB3 LYS A 62 19.044 21.433 -1.226 1.00 0.82 H new ATOM 0 HG2 LYS A 62 18.692 19.780 -3.184 1.00 1.58 H new ATOM 0 HG3 LYS A 62 17.013 20.281 -3.234 1.00 1.58 H new ATOM 0 HD2 LYS A 62 19.447 22.135 -3.589 1.00 1.67 H new ATOM 0 HD3 LYS A 62 18.371 21.615 -4.871 1.00 1.67 H new ATOM 0 HE2 LYS A 62 16.472 22.833 -3.851 1.00 3.00 H new ATOM 0 HE3 LYS A 62 17.428 23.224 -2.435 1.00 3.00 H new ATOM 0 HZ1 LYS A 62 17.420 25.070 -4.025 1.00 2.97 H new ATOM 0 HZ2 LYS A 62 18.993 24.450 -3.864 1.00 2.97 H new ATOM 0 HZ3 LYS A 62 18.067 24.070 -5.236 1.00 2.97 H new ATOM 999 N GLY A 63 18.548 17.451 -1.039 1.00 0.99 N ATOM 1000 CA GLY A 63 19.529 16.333 -1.237 1.00 1.43 C ATOM 1001 C GLY A 63 19.434 15.296 -0.123 1.00 1.40 C ATOM 1002 O GLY A 63 19.912 14.199 -0.323 1.00 1.66 O ATOM 0 H GLY A 63 17.566 17.191 -1.128 1.00 0.99 H new ATOM 0 HA2 GLY A 63 19.345 15.853 -2.198 1.00 1.43 H new ATOM 0 HA3 GLY A 63 20.540 16.738 -1.272 1.00 1.43 H new ATOM 1006 N THR A 64 18.852 15.641 1.006 1.00 1.15 N ATOM 1007 CA THR A 64 18.751 14.612 2.100 1.00 1.23 C ATOM 1008 C THR A 64 17.516 13.739 1.832 1.00 1.29 C ATOM 1009 O THR A 64 16.504 14.221 1.369 1.00 1.62 O ATOM 1010 CB THR A 64 18.600 15.294 3.475 1.00 1.42 C ATOM 1011 OG1 THR A 64 19.798 16.020 3.692 1.00 1.35 O ATOM 1012 CG2 THR A 64 18.749 14.299 4.587 1.00 1.65 C ATOM 0 H THR A 64 18.455 16.557 1.215 1.00 1.15 H new ATOM 0 HA THR A 64 19.657 14.007 2.111 1.00 1.23 H new ATOM 0 HB THR A 64 17.653 15.833 3.472 1.00 1.42 H new ATOM 0 HG1 THR A 64 19.752 16.476 4.558 1.00 1.35 H new ATOM 0 HG21 THR A 64 18.638 14.806 5.546 1.00 1.65 H new ATOM 0 HG22 THR A 64 17.982 13.530 4.492 1.00 1.65 H new ATOM 0 HG23 THR A 64 19.735 13.837 4.532 1.00 1.65 H new ATOM 1020 N SER A 65 17.577 12.475 2.143 1.00 1.08 N ATOM 1021 CA SER A 65 16.368 11.602 1.866 1.00 0.90 C ATOM 1022 C SER A 65 15.140 11.921 2.722 1.00 0.59 C ATOM 1023 O SER A 65 15.251 12.247 3.893 1.00 0.76 O ATOM 1024 CB SER A 65 16.782 10.094 2.060 1.00 0.88 C ATOM 1025 OG SER A 65 15.897 9.488 3.006 1.00 3.52 O ATOM 0 H SER A 65 18.378 12.006 2.565 1.00 1.08 H new ATOM 0 HA SER A 65 16.063 11.807 0.840 1.00 0.90 H new ATOM 0 HB2 SER A 65 16.736 9.565 1.108 1.00 0.88 H new ATOM 0 HB3 SER A 65 17.812 10.028 2.411 1.00 0.88 H new ATOM 0 HG SER A 65 16.418 9.102 3.741 1.00 3.52 H new ATOM 1031 N LYS A 66 13.976 11.792 2.127 1.00 0.61 N ATOM 1032 CA LYS A 66 12.717 12.085 2.882 1.00 0.42 C ATOM 1033 C LYS A 66 12.774 11.353 4.228 1.00 0.27 C ATOM 1034 O LYS A 66 12.409 11.893 5.249 1.00 0.27 O ATOM 1035 CB LYS A 66 11.513 11.594 2.030 1.00 0.79 C ATOM 1036 CG LYS A 66 11.707 10.091 1.623 1.00 1.04 C ATOM 1037 CD LYS A 66 10.514 9.613 0.761 1.00 1.60 C ATOM 1038 CE LYS A 66 10.723 8.130 0.382 1.00 3.67 C ATOM 1039 NZ LYS A 66 10.585 7.277 1.610 1.00 4.40 N ATOM 0 H LYS A 66 13.845 11.499 1.159 1.00 0.61 H new ATOM 0 HA LYS A 66 12.605 13.153 3.070 1.00 0.42 H new ATOM 0 HB2 LYS A 66 10.588 11.708 2.596 1.00 0.79 H new ATOM 0 HB3 LYS A 66 11.417 12.210 1.136 1.00 0.79 H new ATOM 0 HG2 LYS A 66 12.637 9.974 1.067 1.00 1.04 H new ATOM 0 HG3 LYS A 66 11.790 9.472 2.517 1.00 1.04 H new ATOM 0 HD2 LYS A 66 9.581 9.732 1.312 1.00 1.60 H new ATOM 0 HD3 LYS A 66 10.433 10.223 -0.139 1.00 1.60 H new ATOM 0 HE2 LYS A 66 9.992 7.828 -0.368 1.00 3.67 H new ATOM 0 HE3 LYS A 66 11.709 7.992 -0.061 1.00 3.67 H new ATOM 0 HZ1 LYS A 66 11.482 6.784 1.793 1.00 4.40 H new ATOM 0 HZ2 LYS A 66 10.347 7.878 2.425 1.00 4.40 H new ATOM 0 HZ3 LYS A 66 9.830 6.577 1.464 1.00 4.40 H new ATOM 1053 N GLU A 67 13.272 10.149 4.132 1.00 0.36 N ATOM 1054 CA GLU A 67 13.415 9.248 5.296 1.00 0.39 C ATOM 1055 C GLU A 67 14.447 9.764 6.268 1.00 0.28 C ATOM 1056 O GLU A 67 14.223 9.643 7.444 1.00 0.37 O ATOM 1057 CB GLU A 67 13.781 7.867 4.758 1.00 0.71 C ATOM 1058 CG GLU A 67 12.488 6.988 4.742 1.00 1.90 C ATOM 1059 CD GLU A 67 12.782 5.660 4.052 1.00 1.93 C ATOM 1060 OE1 GLU A 67 13.581 4.945 4.651 1.00 3.51 O ATOM 1061 OE2 GLU A 67 12.190 5.495 2.991 1.00 2.15 O ATOM 0 H GLU A 67 13.597 9.744 3.254 1.00 0.36 H new ATOM 0 HA GLU A 67 12.481 9.195 5.855 1.00 0.39 H new ATOM 0 HB2 GLU A 67 14.197 7.949 3.754 1.00 0.71 H new ATOM 0 HB3 GLU A 67 14.546 7.406 5.383 1.00 0.71 H new ATOM 0 HG2 GLU A 67 12.143 6.812 5.761 1.00 1.90 H new ATOM 0 HG3 GLU A 67 11.687 7.511 4.220 1.00 1.90 H new ATOM 1068 N ASP A 68 15.540 10.306 5.823 1.00 0.16 N ATOM 1069 CA ASP A 68 16.535 10.819 6.796 1.00 0.21 C ATOM 1070 C ASP A 68 15.912 12.004 7.516 1.00 0.24 C ATOM 1071 O ASP A 68 15.996 12.135 8.722 1.00 0.29 O ATOM 1072 CB ASP A 68 17.722 11.097 5.929 1.00 0.22 C ATOM 1073 CG ASP A 68 18.358 9.743 5.752 1.00 0.32 C ATOM 1074 OD1 ASP A 68 19.087 9.390 6.658 1.00 1.86 O ATOM 1075 OD2 ASP A 68 18.043 9.153 4.733 1.00 2.55 O ATOM 0 H ASP A 68 15.786 10.416 4.839 1.00 0.16 H new ATOM 0 HA ASP A 68 16.841 10.159 7.608 1.00 0.21 H new ATOM 0 HB2 ASP A 68 17.427 11.529 4.973 1.00 0.22 H new ATOM 0 HB3 ASP A 68 18.406 11.803 6.400 1.00 0.22 H new ATOM 1080 N ALA A 69 15.282 12.828 6.730 1.00 0.21 N ATOM 1081 CA ALA A 69 14.606 14.029 7.305 1.00 0.25 C ATOM 1082 C ALA A 69 13.598 13.418 8.323 1.00 0.23 C ATOM 1083 O ALA A 69 13.675 13.707 9.498 1.00 0.35 O ATOM 1084 CB ALA A 69 13.941 14.765 6.147 1.00 0.32 C ATOM 0 H ALA A 69 15.204 12.726 5.718 1.00 0.21 H new ATOM 0 HA ALA A 69 15.247 14.755 7.804 1.00 0.25 H new ATOM 0 HB1 ALA A 69 13.433 15.653 6.524 1.00 0.32 H new ATOM 0 HB2 ALA A 69 14.698 15.061 5.421 1.00 0.32 H new ATOM 0 HB3 ALA A 69 13.215 14.108 5.667 1.00 0.32 H new ATOM 1090 N MET A 70 12.683 12.591 7.878 1.00 0.18 N ATOM 1091 CA MET A 70 11.675 11.928 8.752 1.00 0.18 C ATOM 1092 C MET A 70 12.352 11.306 10.003 1.00 0.12 C ATOM 1093 O MET A 70 12.153 11.753 11.104 1.00 0.21 O ATOM 1094 CB MET A 70 11.002 10.872 7.857 1.00 0.25 C ATOM 1095 CG MET A 70 10.056 11.509 6.808 1.00 0.29 C ATOM 1096 SD MET A 70 9.428 10.454 5.475 1.00 0.63 S ATOM 1097 CE MET A 70 7.678 10.343 5.928 1.00 0.85 C ATOM 0 H MET A 70 12.595 12.340 6.893 1.00 0.18 H new ATOM 0 HA MET A 70 10.939 12.628 9.147 1.00 0.18 H new ATOM 0 HB2 MET A 70 11.769 10.290 7.346 1.00 0.25 H new ATOM 0 HB3 MET A 70 10.437 10.178 8.479 1.00 0.25 H new ATOM 0 HG2 MET A 70 9.198 11.922 7.339 1.00 0.29 H new ATOM 0 HG3 MET A 70 10.581 12.347 6.351 1.00 0.29 H new ATOM 0 HE1 MET A 70 7.153 9.724 5.201 1.00 0.85 H new ATOM 0 HE2 MET A 70 7.586 9.897 6.918 1.00 0.85 H new ATOM 0 HE3 MET A 70 7.241 11.341 5.938 1.00 0.85 H new ATOM 1107 N LYS A 71 13.145 10.299 9.776 1.00 0.23 N ATOM 1108 CA LYS A 71 13.899 9.552 10.830 1.00 0.37 C ATOM 1109 C LYS A 71 14.514 10.536 11.836 1.00 0.40 C ATOM 1110 O LYS A 71 14.151 10.593 12.993 1.00 0.43 O ATOM 1111 CB LYS A 71 15.057 8.720 10.201 1.00 0.49 C ATOM 1112 CG LYS A 71 14.590 7.458 9.445 1.00 0.53 C ATOM 1113 CD LYS A 71 15.865 6.913 8.686 1.00 0.79 C ATOM 1114 CE LYS A 71 15.691 5.545 7.990 1.00 2.60 C ATOM 1115 NZ LYS A 71 14.500 5.595 7.085 1.00 5.11 N ATOM 0 H LYS A 71 13.313 9.938 8.837 1.00 0.23 H new ATOM 0 HA LYS A 71 13.196 8.885 11.329 1.00 0.37 H new ATOM 0 HB2 LYS A 71 15.615 9.356 9.514 1.00 0.49 H new ATOM 0 HB3 LYS A 71 15.747 8.422 10.991 1.00 0.49 H new ATOM 0 HG2 LYS A 71 14.197 6.712 10.136 1.00 0.53 H new ATOM 0 HG3 LYS A 71 13.790 7.696 8.744 1.00 0.53 H new ATOM 0 HD2 LYS A 71 16.162 7.647 7.937 1.00 0.79 H new ATOM 0 HD3 LYS A 71 16.686 6.836 9.399 1.00 0.79 H new ATOM 0 HE2 LYS A 71 16.586 5.299 7.418 1.00 2.60 H new ATOM 0 HE3 LYS A 71 15.563 4.759 8.735 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 13.765 4.952 7.442 1.00 5.11 H new ATOM 0 HZ2 LYS A 71 14.127 6.565 7.056 1.00 5.11 H new ATOM 0 HZ3 LYS A 71 14.780 5.303 6.127 1.00 5.11 H new ATOM 1129 N ALA A 72 15.433 11.324 11.338 1.00 0.41 N ATOM 1130 CA ALA A 72 16.126 12.316 12.178 1.00 0.53 C ATOM 1131 C ALA A 72 15.107 13.214 12.875 1.00 0.34 C ATOM 1132 O ALA A 72 15.250 13.503 14.036 1.00 0.22 O ATOM 1133 CB ALA A 72 17.058 13.107 11.251 1.00 0.73 C ATOM 0 H ALA A 72 15.730 11.312 10.362 1.00 0.41 H new ATOM 0 HA ALA A 72 16.709 11.843 12.968 1.00 0.53 H new ATOM 0 HB1 ALA A 72 17.596 13.858 11.830 1.00 0.73 H new ATOM 0 HB2 ALA A 72 17.772 12.427 10.786 1.00 0.73 H new ATOM 0 HB3 ALA A 72 16.469 13.599 10.477 1.00 0.73 H new ATOM 1139 N TYR A 73 14.081 13.605 12.177 1.00 0.35 N ATOM 1140 CA TYR A 73 13.051 14.495 12.791 1.00 0.25 C ATOM 1141 C TYR A 73 12.341 13.789 13.957 1.00 0.14 C ATOM 1142 O TYR A 73 12.121 14.360 15.001 1.00 0.29 O ATOM 1143 CB TYR A 73 12.089 14.864 11.655 1.00 0.30 C ATOM 1144 CG TYR A 73 10.942 15.752 12.110 1.00 0.32 C ATOM 1145 CD1 TYR A 73 9.854 15.241 12.789 1.00 2.13 C ATOM 1146 CD2 TYR A 73 10.992 17.096 11.836 1.00 2.64 C ATOM 1147 CE1 TYR A 73 8.835 16.081 13.185 1.00 2.13 C ATOM 1148 CE2 TYR A 73 9.974 17.923 12.233 1.00 2.63 C ATOM 1149 CZ TYR A 73 8.885 17.428 12.913 1.00 0.35 C ATOM 1150 OH TYR A 73 7.874 18.272 13.330 1.00 0.38 O ATOM 0 H TYR A 73 13.908 13.348 11.205 1.00 0.35 H new ATOM 0 HA TYR A 73 13.491 15.393 13.224 1.00 0.25 H new ATOM 0 HB2 TYR A 73 12.645 15.373 10.867 1.00 0.30 H new ATOM 0 HB3 TYR A 73 11.683 13.951 11.220 1.00 0.30 H new ATOM 0 HD1 TYR A 73 9.801 14.185 13.010 1.00 2.13 H new ATOM 0 HD2 TYR A 73 11.839 17.504 11.304 1.00 2.64 H new ATOM 0 HE1 TYR A 73 7.986 15.676 13.716 1.00 2.13 H new ATOM 0 HE2 TYR A 73 10.027 18.978 12.009 1.00 2.63 H new ATOM 0 HH TYR A 73 7.686 18.929 12.628 1.00 0.38 H new ATOM 1160 N ILE A 74 12.023 12.555 13.713 1.00 0.14 N ATOM 1161 CA ILE A 74 11.319 11.702 14.718 1.00 0.29 C ATOM 1162 C ILE A 74 12.151 11.618 15.986 1.00 0.39 C ATOM 1163 O ILE A 74 11.664 11.937 17.054 1.00 0.48 O ATOM 1164 CB ILE A 74 11.091 10.286 14.122 1.00 0.33 C ATOM 1165 CG1 ILE A 74 10.092 10.376 12.936 1.00 0.35 C ATOM 1166 CG2 ILE A 74 10.443 9.425 15.234 1.00 0.71 C ATOM 1167 CD1 ILE A 74 10.106 9.066 12.101 1.00 0.32 C ATOM 0 H ILE A 74 12.226 12.082 12.832 1.00 0.14 H new ATOM 0 HA ILE A 74 10.352 12.141 14.964 1.00 0.29 H new ATOM 0 HB ILE A 74 12.032 9.860 13.774 1.00 0.33 H new ATOM 0 HG12 ILE A 74 9.087 10.560 13.315 1.00 0.35 H new ATOM 0 HG13 ILE A 74 10.352 11.221 12.299 1.00 0.35 H new ATOM 0 HG21 ILE A 74 10.265 8.418 14.857 1.00 0.71 H new ATOM 0 HG22 ILE A 74 11.112 9.378 16.094 1.00 0.71 H new ATOM 0 HG23 ILE A 74 9.496 9.873 15.535 1.00 0.71 H new ATOM 0 HD11 ILE A 74 9.399 9.153 11.276 1.00 0.32 H new ATOM 0 HD12 ILE A 74 11.107 8.898 11.704 1.00 0.32 H new ATOM 0 HD13 ILE A 74 9.822 8.227 12.736 1.00 0.32 H new ATOM 1179 N ASP A 75 13.372 11.210 15.815 1.00 0.42 N ATOM 1180 CA ASP A 75 14.301 11.075 16.944 1.00 0.59 C ATOM 1181 C ASP A 75 14.519 12.471 17.576 1.00 0.43 C ATOM 1182 O ASP A 75 14.319 12.659 18.753 1.00 0.39 O ATOM 1183 CB ASP A 75 15.523 10.435 16.308 1.00 0.87 C ATOM 1184 CG ASP A 75 15.214 8.984 15.954 1.00 1.17 C ATOM 1185 OD1 ASP A 75 14.379 8.801 15.087 1.00 2.47 O ATOM 1186 OD2 ASP A 75 15.827 8.137 16.572 1.00 2.46 O ATOM 0 H ASP A 75 13.768 10.959 14.909 1.00 0.42 H new ATOM 0 HA ASP A 75 13.966 10.461 17.780 1.00 0.59 H new ATOM 0 HB2 ASP A 75 15.810 10.985 15.412 1.00 0.87 H new ATOM 0 HB3 ASP A 75 16.369 10.480 16.994 1.00 0.87 H new ATOM 1191 N LYS A 76 14.917 13.415 16.773 1.00 0.42 N ATOM 1192 CA LYS A 76 15.163 14.808 17.255 1.00 0.42 C ATOM 1193 C LYS A 76 13.960 15.315 18.066 1.00 0.29 C ATOM 1194 O LYS A 76 14.069 15.839 19.158 1.00 0.26 O ATOM 1195 CB LYS A 76 15.406 15.673 16.043 1.00 0.51 C ATOM 1196 CG LYS A 76 16.311 16.850 16.457 1.00 0.39 C ATOM 1197 CD LYS A 76 15.469 17.805 17.333 1.00 1.17 C ATOM 1198 CE LYS A 76 16.146 19.096 17.533 1.00 1.81 C ATOM 1199 NZ LYS A 76 17.314 18.903 18.438 1.00 2.45 N ATOM 0 H LYS A 76 15.087 13.279 15.777 1.00 0.42 H new ATOM 0 HA LYS A 76 16.030 14.840 17.915 1.00 0.42 H new ATOM 0 HB2 LYS A 76 15.879 15.092 15.251 1.00 0.51 H new ATOM 0 HB3 LYS A 76 14.461 16.043 15.646 1.00 0.51 H new ATOM 0 HG2 LYS A 76 17.179 16.489 17.010 1.00 0.39 H new ATOM 0 HG3 LYS A 76 16.688 17.371 15.577 1.00 0.39 H new ATOM 0 HD2 LYS A 76 14.500 17.971 16.863 1.00 1.17 H new ATOM 0 HD3 LYS A 76 15.279 17.340 18.300 1.00 1.17 H new ATOM 0 HE2 LYS A 76 16.476 19.499 16.576 1.00 1.81 H new ATOM 0 HE3 LYS A 76 15.454 19.820 17.963 1.00 1.81 H new ATOM 0 HZ1 LYS A 76 17.204 19.504 19.280 1.00 2.45 H new ATOM 0 HZ2 LYS A 76 17.367 17.906 18.729 1.00 2.45 H new ATOM 0 HZ3 LYS A 76 18.188 19.164 17.938 1.00 2.45 H new ATOM 1213 N VAL A 77 12.787 15.149 17.529 1.00 0.23 N ATOM 1214 CA VAL A 77 11.572 15.601 18.255 1.00 0.21 C ATOM 1215 C VAL A 77 11.544 14.757 19.526 1.00 0.21 C ATOM 1216 O VAL A 77 11.230 15.261 20.583 1.00 0.24 O ATOM 1217 CB VAL A 77 10.357 15.344 17.370 1.00 0.24 C ATOM 1218 CG1 VAL A 77 9.107 15.409 18.258 1.00 0.23 C ATOM 1219 CG2 VAL A 77 10.240 16.484 16.333 1.00 0.29 C ATOM 0 H VAL A 77 12.617 14.720 16.619 1.00 0.23 H new ATOM 0 HA VAL A 77 11.569 16.663 18.499 1.00 0.21 H new ATOM 0 HB VAL A 77 10.452 14.378 16.873 1.00 0.24 H new ATOM 0 HG11 VAL A 77 8.220 15.229 17.651 1.00 0.23 H new ATOM 0 HG12 VAL A 77 9.174 14.650 19.037 1.00 0.23 H new ATOM 0 HG13 VAL A 77 9.038 16.395 18.717 1.00 0.23 H new ATOM 0 HG21 VAL A 77 9.373 16.308 15.695 1.00 0.29 H new ATOM 0 HG22 VAL A 77 10.123 17.436 16.851 1.00 0.29 H new ATOM 0 HG23 VAL A 77 11.141 16.513 15.721 1.00 0.29 H new ATOM 1229 N GLU A 78 11.855 13.494 19.398 1.00 0.20 N ATOM 1230 CA GLU A 78 11.863 12.616 20.609 1.00 0.19 C ATOM 1231 C GLU A 78 12.861 13.233 21.635 1.00 0.16 C ATOM 1232 O GLU A 78 12.611 13.224 22.827 1.00 0.20 O ATOM 1233 CB GLU A 78 12.288 11.176 20.190 1.00 0.26 C ATOM 1234 CG GLU A 78 11.298 10.114 20.795 1.00 1.35 C ATOM 1235 CD GLU A 78 10.970 10.422 22.245 1.00 2.03 C ATOM 1236 OE1 GLU A 78 11.760 10.030 23.079 1.00 2.05 O ATOM 1237 OE2 GLU A 78 9.949 11.043 22.432 1.00 3.55 O ATOM 0 H GLU A 78 12.101 13.035 18.521 1.00 0.20 H new ATOM 0 HA GLU A 78 10.876 12.552 21.066 1.00 0.19 H new ATOM 0 HB2 GLU A 78 12.299 11.095 19.103 1.00 0.26 H new ATOM 0 HB3 GLU A 78 13.302 10.975 20.534 1.00 0.26 H new ATOM 0 HG2 GLU A 78 10.379 10.096 20.209 1.00 1.35 H new ATOM 0 HG3 GLU A 78 11.741 9.120 20.724 1.00 1.35 H new ATOM 1244 N GLU A 79 13.970 13.763 21.155 1.00 0.17 N ATOM 1245 CA GLU A 79 15.001 14.403 22.060 1.00 0.21 C ATOM 1246 C GLU A 79 14.189 15.488 22.786 1.00 0.11 C ATOM 1247 O GLU A 79 14.056 15.505 23.991 1.00 0.11 O ATOM 1248 CB GLU A 79 16.139 15.146 21.283 1.00 0.36 C ATOM 1249 CG GLU A 79 17.195 14.253 20.549 1.00 0.72 C ATOM 1250 CD GLU A 79 17.883 15.058 19.413 1.00 1.27 C ATOM 1251 OE1 GLU A 79 17.926 16.289 19.483 1.00 3.35 O ATOM 1252 OE2 GLU A 79 18.333 14.362 18.516 1.00 1.33 O ATOM 0 H GLU A 79 14.210 13.781 20.164 1.00 0.17 H new ATOM 0 HA GLU A 79 15.482 13.647 22.681 1.00 0.21 H new ATOM 0 HB2 GLU A 79 15.675 15.799 20.544 1.00 0.36 H new ATOM 0 HB3 GLU A 79 16.668 15.787 21.988 1.00 0.36 H new ATOM 0 HG2 GLU A 79 17.943 13.903 21.260 1.00 0.72 H new ATOM 0 HG3 GLU A 79 16.710 13.369 20.135 1.00 0.72 H new ATOM 1259 N LEU A 80 13.648 16.367 21.980 1.00 0.12 N ATOM 1260 CA LEU A 80 12.827 17.482 22.548 1.00 0.12 C ATOM 1261 C LEU A 80 11.789 16.991 23.536 1.00 0.30 C ATOM 1262 O LEU A 80 11.528 17.662 24.513 1.00 0.55 O ATOM 1263 CB LEU A 80 12.090 18.239 21.442 1.00 0.14 C ATOM 1264 CG LEU A 80 13.027 18.934 20.450 1.00 0.30 C ATOM 1265 CD1 LEU A 80 12.144 19.778 19.544 1.00 0.52 C ATOM 1266 CD2 LEU A 80 14.002 19.901 21.140 1.00 0.46 C ATOM 0 H LEU A 80 13.737 16.363 20.964 1.00 0.12 H new ATOM 0 HA LEU A 80 13.532 18.136 23.061 1.00 0.12 H new ATOM 0 HB2 LEU A 80 11.451 17.542 20.899 1.00 0.14 H new ATOM 0 HB3 LEU A 80 11.436 18.984 21.896 1.00 0.14 H new ATOM 0 HG LEU A 80 13.608 18.174 19.928 1.00 0.30 H new ATOM 0 HD11 LEU A 80 12.764 20.298 18.814 1.00 0.52 H new ATOM 0 HD12 LEU A 80 11.434 19.134 19.025 1.00 0.52 H new ATOM 0 HD13 LEU A 80 11.600 20.508 20.143 1.00 0.52 H new ATOM 0 HD21 LEU A 80 14.643 20.367 20.392 1.00 0.46 H new ATOM 0 HD22 LEU A 80 13.439 20.672 21.666 1.00 0.46 H new ATOM 0 HD23 LEU A 80 14.617 19.351 21.853 1.00 0.46 H new ATOM 1278 N LYS A 81 11.265 15.830 23.288 1.00 0.43 N ATOM 1279 CA LYS A 81 10.225 15.305 24.217 1.00 0.48 C ATOM 1280 C LYS A 81 10.910 14.900 25.524 1.00 0.46 C ATOM 1281 O LYS A 81 10.425 15.254 26.573 1.00 0.47 O ATOM 1282 CB LYS A 81 9.530 14.118 23.561 1.00 0.53 C ATOM 1283 CG LYS A 81 8.332 13.736 24.449 1.00 0.40 C ATOM 1284 CD LYS A 81 7.477 12.665 23.732 1.00 0.52 C ATOM 1285 CE LYS A 81 6.220 12.335 24.554 1.00 2.33 C ATOM 1286 NZ LYS A 81 5.435 13.588 24.694 1.00 3.37 N ATOM 0 H LYS A 81 11.503 15.228 22.499 1.00 0.43 H new ATOM 0 HA LYS A 81 9.471 16.061 24.436 1.00 0.48 H new ATOM 0 HB2 LYS A 81 9.196 14.377 22.556 1.00 0.53 H new ATOM 0 HB3 LYS A 81 10.217 13.278 23.462 1.00 0.53 H new ATOM 0 HG2 LYS A 81 8.684 13.354 25.407 1.00 0.40 H new ATOM 0 HG3 LYS A 81 7.727 14.618 24.660 1.00 0.40 H new ATOM 0 HD2 LYS A 81 7.188 13.024 22.744 1.00 0.52 H new ATOM 0 HD3 LYS A 81 8.068 11.761 23.582 1.00 0.52 H new ATOM 0 HE2 LYS A 81 5.629 11.566 24.057 1.00 2.33 H new ATOM 0 HE3 LYS A 81 6.495 11.943 25.533 1.00 2.33 H new ATOM 0 HZ1 LYS A 81 5.433 13.887 25.690 1.00 3.37 H new ATOM 0 HZ2 LYS A 81 5.864 14.334 24.109 1.00 3.37 H new ATOM 0 HZ3 LYS A 81 4.457 13.422 24.381 1.00 3.37 H new ATOM 1300 N LYS A 82 11.999 14.187 25.454 1.00 0.43 N ATOM 1301 CA LYS A 82 12.684 13.791 26.729 1.00 0.44 C ATOM 1302 C LYS A 82 13.233 15.066 27.429 1.00 0.42 C ATOM 1303 O LYS A 82 13.256 15.159 28.637 1.00 0.55 O ATOM 1304 CB LYS A 82 13.834 12.799 26.401 1.00 0.63 C ATOM 1305 CG LYS A 82 13.210 11.432 25.999 1.00 0.84 C ATOM 1306 CD LYS A 82 14.325 10.347 25.925 1.00 1.93 C ATOM 1307 CE LYS A 82 15.134 10.429 24.625 1.00 3.05 C ATOM 1308 NZ LYS A 82 14.269 9.889 23.540 1.00 2.77 N ATOM 0 H LYS A 82 12.441 13.864 24.593 1.00 0.43 H new ATOM 0 HA LYS A 82 11.982 13.300 27.402 1.00 0.44 H new ATOM 0 HB2 LYS A 82 14.449 13.188 25.589 1.00 0.63 H new ATOM 0 HB3 LYS A 82 14.487 12.677 27.265 1.00 0.63 H new ATOM 0 HG2 LYS A 82 12.452 11.139 26.726 1.00 0.84 H new ATOM 0 HG3 LYS A 82 12.710 11.519 25.035 1.00 0.84 H new ATOM 0 HD2 LYS A 82 14.997 10.461 26.776 1.00 1.93 H new ATOM 0 HD3 LYS A 82 13.873 9.359 26.007 1.00 1.93 H new ATOM 0 HE2 LYS A 82 15.421 11.459 24.413 1.00 3.05 H new ATOM 0 HE3 LYS A 82 16.055 9.852 24.707 1.00 3.05 H new ATOM 0 HZ1 LYS A 82 14.424 10.434 22.668 1.00 2.77 H new ATOM 0 HZ2 LYS A 82 14.507 8.891 23.371 1.00 2.77 H new ATOM 0 HZ3 LYS A 82 13.271 9.964 23.822 1.00 2.77 H new ATOM 1322 N LYS A 83 13.652 16.013 26.632 1.00 0.41 N ATOM 1323 CA LYS A 83 14.230 17.346 27.048 1.00 0.40 C ATOM 1324 C LYS A 83 13.268 18.330 27.716 1.00 0.40 C ATOM 1325 O LYS A 83 13.534 18.889 28.758 1.00 0.41 O ATOM 1326 CB LYS A 83 14.803 17.982 25.785 1.00 0.35 C ATOM 1327 CG LYS A 83 15.740 19.195 26.043 1.00 0.44 C ATOM 1328 CD LYS A 83 16.239 19.672 24.645 1.00 0.61 C ATOM 1329 CE LYS A 83 17.126 20.932 24.715 1.00 0.81 C ATOM 1330 NZ LYS A 83 18.372 20.593 25.476 1.00 3.23 N ATOM 0 H LYS A 83 13.615 15.910 25.618 1.00 0.41 H new ATOM 0 HA LYS A 83 14.969 17.139 27.822 1.00 0.40 H new ATOM 0 HB2 LYS A 83 15.355 17.224 25.230 1.00 0.35 H new ATOM 0 HB3 LYS A 83 13.978 18.305 25.149 1.00 0.35 H new ATOM 0 HG2 LYS A 83 15.207 19.994 26.559 1.00 0.44 H new ATOM 0 HG3 LYS A 83 16.579 18.910 26.678 1.00 0.44 H new ATOM 0 HD2 LYS A 83 16.800 18.866 24.172 1.00 0.61 H new ATOM 0 HD3 LYS A 83 15.378 19.877 24.009 1.00 0.61 H new ATOM 0 HE2 LYS A 83 17.376 21.275 23.711 1.00 0.81 H new ATOM 0 HE3 LYS A 83 16.591 21.745 25.206 1.00 0.81 H new ATOM 0 HZ1 LYS A 83 19.034 21.394 25.432 1.00 3.23 H new ATOM 0 HZ2 LYS A 83 18.130 20.398 26.468 1.00 3.23 H new ATOM 0 HZ3 LYS A 83 18.817 19.752 25.056 1.00 3.23 H new ATOM 1344 N TYR A 84 12.179 18.504 27.048 1.00 0.43 N ATOM 1345 CA TYR A 84 11.083 19.438 27.515 1.00 0.49 C ATOM 1346 C TYR A 84 9.751 18.761 27.958 1.00 1.28 C ATOM 1347 O TYR A 84 9.044 19.279 28.803 1.00 2.09 O ATOM 1348 CB TYR A 84 10.799 20.433 26.367 1.00 0.63 C ATOM 1349 CG TYR A 84 12.022 21.319 26.051 1.00 0.92 C ATOM 1350 CD1 TYR A 84 12.483 22.234 26.980 1.00 0.94 C ATOM 1351 CD2 TYR A 84 12.673 21.224 24.833 1.00 1.56 C ATOM 1352 CE1 TYR A 84 13.568 23.038 26.700 1.00 1.63 C ATOM 1353 CE2 TYR A 84 13.766 22.036 24.558 1.00 2.14 C ATOM 1354 CZ TYR A 84 14.216 22.943 25.488 1.00 2.20 C ATOM 1355 OH TYR A 84 15.302 23.744 25.201 1.00 2.87 O ATOM 0 H TYR A 84 11.976 18.032 26.167 1.00 0.43 H new ATOM 0 HA TYR A 84 11.454 19.919 28.420 1.00 0.49 H new ATOM 0 HB2 TYR A 84 10.511 19.881 25.472 1.00 0.63 H new ATOM 0 HB3 TYR A 84 9.954 21.066 26.637 1.00 0.63 H new ATOM 0 HD1 TYR A 84 11.988 22.320 27.936 1.00 0.94 H new ATOM 0 HD2 TYR A 84 12.330 20.516 24.094 1.00 1.56 H new ATOM 0 HE1 TYR A 84 13.913 23.748 27.437 1.00 1.63 H new ATOM 0 HE2 TYR A 84 14.267 21.954 23.605 1.00 2.14 H new ATOM 0 HH TYR A 84 15.690 23.474 24.343 1.00 2.87 H new