USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 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 32 LYS NZ :NH3+ -115:sc= -2.97! (180deg=-7.61!) USER MOD Set 1.2: A 35 THR OG1 : rot -78:sc= -0.931! USER MOD Set 2.1: A 29 SER OG : rot -93:sc= 0.419 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -4.63 K(o=-4.2,f=-5.4!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 174:sc= -0.264 (180deg=-0.493) USER MOD Set 3.2: A 31 TYR OH : rot 180:sc= 0.187 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0289 (180deg=-0.364) USER MOD Single : A 14 HIS : no HE2:sc= 1 K(o=1,f=-3.6!) 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+ 172:sc= 0 (180deg=-0.0368) USER MOD Single : A 24 MET CE :methyl -138:sc= -0.582 (180deg=-1.45!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.68 K(o=-1.7,f=-6.3!) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.803) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.015 X(o=0.015,f=-0.32) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 1.14 (180deg=-0.04) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -129:sc= 0.752 USER MOD Single : A 66 LYS NZ :NH3+ 134:sc= -1.35 (180deg=-4.29!) USER MOD Single : A 70 MET CE :methyl 179:sc= 0 (180deg=-0.00174) USER MOD Single : A 71 LYS NZ :NH3+ -112:sc= 0.367 (180deg=0.00624) USER MOD Single : A 73 TYR OH : rot -110:sc= -1.65 USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= 0.983 (180deg=0.0403) USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= -2.06 (180deg=-4.49!) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc=-0.00356 (180deg=-0.306) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0476 (180deg=-0.53) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.296 7.900 10.512 1.00 0.91 N ATOM 32 CA ALA A 3 3.607 7.154 11.771 1.00 1.00 C ATOM 33 C ALA A 3 4.264 8.057 12.855 1.00 0.62 C ATOM 34 O ALA A 3 3.800 9.160 13.128 1.00 0.92 O ATOM 35 CB ALA A 3 4.508 5.995 11.320 1.00 2.51 C ATOM 0 HA ALA A 3 2.706 6.789 12.264 1.00 1.00 H new ATOM 0 HB1 ALA A 3 4.786 5.392 12.185 1.00 2.51 H new ATOM 0 HB2 ALA A 3 3.971 5.375 10.603 1.00 2.51 H new ATOM 0 HB3 ALA A 3 5.408 6.394 10.852 1.00 2.51 H new ATOM 41 N GLU A 4 5.342 7.567 13.429 1.00 0.27 N ATOM 42 CA GLU A 4 6.057 8.332 14.485 1.00 0.45 C ATOM 43 C GLU A 4 6.247 9.759 14.021 1.00 0.38 C ATOM 44 O GLU A 4 5.634 10.636 14.555 1.00 1.15 O ATOM 45 CB GLU A 4 7.427 7.655 14.791 1.00 0.89 C ATOM 46 CG GLU A 4 7.335 6.065 14.838 1.00 1.02 C ATOM 47 CD GLU A 4 6.010 5.557 15.432 1.00 3.43 C ATOM 48 OE1 GLU A 4 5.896 5.628 16.644 1.00 5.27 O ATOM 49 OE2 GLU A 4 5.208 5.139 14.608 1.00 4.53 O ATOM 0 H GLU A 4 5.754 6.662 13.203 1.00 0.27 H new ATOM 0 HA GLU A 4 5.470 8.338 15.404 1.00 0.45 H new ATOM 0 HB2 GLU A 4 8.150 7.950 14.031 1.00 0.89 H new ATOM 0 HB3 GLU A 4 7.802 8.021 15.747 1.00 0.89 H new ATOM 0 HG2 GLU A 4 7.449 5.670 13.829 1.00 1.02 H new ATOM 0 HG3 GLU A 4 8.164 5.676 15.429 1.00 1.02 H new ATOM 56 N PHE A 5 7.082 9.972 13.056 1.00 0.63 N ATOM 57 CA PHE A 5 7.357 11.344 12.490 1.00 0.58 C ATOM 58 C PHE A 5 6.161 12.289 12.554 1.00 0.60 C ATOM 59 O PHE A 5 6.249 13.328 13.166 1.00 0.54 O ATOM 60 CB PHE A 5 7.794 11.197 11.044 1.00 0.63 C ATOM 61 CG PHE A 5 7.889 12.593 10.384 1.00 0.50 C ATOM 62 CD1 PHE A 5 9.038 13.345 10.495 1.00 0.47 C ATOM 63 CD2 PHE A 5 6.814 13.119 9.690 1.00 0.50 C ATOM 64 CE1 PHE A 5 9.113 14.597 9.924 1.00 0.37 C ATOM 65 CE2 PHE A 5 6.884 14.371 9.118 1.00 0.41 C ATOM 66 CZ PHE A 5 8.035 15.113 9.234 1.00 0.29 C ATOM 0 H PHE A 5 7.616 9.229 12.606 1.00 0.63 H new ATOM 0 HA PHE A 5 8.138 11.789 13.107 1.00 0.58 H new ATOM 0 HB2 PHE A 5 8.760 10.694 10.995 1.00 0.63 H new ATOM 0 HB3 PHE A 5 7.083 10.575 10.501 1.00 0.63 H new ATOM 0 HD1 PHE A 5 9.887 12.950 11.034 1.00 0.47 H new ATOM 0 HD2 PHE A 5 5.907 12.540 9.595 1.00 0.50 H new ATOM 0 HE1 PHE A 5 10.019 15.177 10.017 1.00 0.37 H new ATOM 0 HE2 PHE A 5 6.036 14.768 8.580 1.00 0.41 H new ATOM 0 HZ PHE A 5 8.096 16.095 8.788 1.00 0.29 H new ATOM 76 N ASP A 6 5.082 11.938 11.915 1.00 0.71 N ATOM 77 CA ASP A 6 3.880 12.823 11.957 1.00 0.80 C ATOM 78 C ASP A 6 3.506 13.112 13.409 1.00 0.70 C ATOM 79 O ASP A 6 3.382 14.238 13.856 1.00 0.83 O ATOM 80 CB ASP A 6 2.772 12.086 11.218 1.00 0.92 C ATOM 81 CG ASP A 6 2.512 12.753 9.882 1.00 1.09 C ATOM 82 OD1 ASP A 6 3.456 13.063 9.186 1.00 1.97 O ATOM 83 OD2 ASP A 6 1.332 12.898 9.628 1.00 2.62 O ATOM 0 H ASP A 6 4.977 11.083 11.368 1.00 0.71 H new ATOM 0 HA ASP A 6 4.062 13.787 11.482 1.00 0.80 H new ATOM 0 HB2 ASP A 6 3.055 11.044 11.066 1.00 0.92 H new ATOM 0 HB3 ASP A 6 1.861 12.085 11.817 1.00 0.92 H new ATOM 88 N LYS A 7 3.356 12.013 14.101 1.00 0.60 N ATOM 89 CA LYS A 7 2.996 12.133 15.536 1.00 0.74 C ATOM 90 C LYS A 7 3.997 13.109 16.193 1.00 0.63 C ATOM 91 O LYS A 7 3.618 14.004 16.916 1.00 0.71 O ATOM 92 CB LYS A 7 3.080 10.751 16.205 1.00 0.79 C ATOM 93 CG LYS A 7 2.457 10.907 17.600 1.00 1.16 C ATOM 94 CD LYS A 7 2.486 9.555 18.340 1.00 1.39 C ATOM 95 CE LYS A 7 1.884 9.713 19.741 1.00 2.99 C ATOM 96 NZ LYS A 7 0.424 10.037 19.607 1.00 5.37 N ATOM 0 H LYS A 7 3.464 11.064 13.744 1.00 0.60 H new ATOM 0 HA LYS A 7 1.979 12.507 15.651 1.00 0.74 H new ATOM 0 HB2 LYS A 7 2.543 10.003 15.621 1.00 0.79 H new ATOM 0 HB3 LYS A 7 4.115 10.416 16.277 1.00 0.79 H new ATOM 0 HG2 LYS A 7 3.005 11.656 18.171 1.00 1.16 H new ATOM 0 HG3 LYS A 7 1.430 11.262 17.512 1.00 1.16 H new ATOM 0 HD2 LYS A 7 1.925 8.810 17.776 1.00 1.39 H new ATOM 0 HD3 LYS A 7 3.512 9.193 18.414 1.00 1.39 H new ATOM 0 HE2 LYS A 7 2.016 8.795 20.314 1.00 2.99 H new ATOM 0 HE3 LYS A 7 2.398 10.505 20.285 1.00 2.99 H new ATOM 0 HZ1 LYS A 7 -0.058 9.849 20.509 1.00 5.37 H new ATOM 0 HZ2 LYS A 7 0.313 11.040 19.357 1.00 5.37 H new ATOM 0 HZ3 LYS A 7 0.004 9.446 18.861 1.00 5.37 H new ATOM 110 N ALA A 8 5.263 12.915 15.905 1.00 0.48 N ATOM 111 CA ALA A 8 6.330 13.777 16.480 1.00 0.37 C ATOM 112 C ALA A 8 6.021 15.232 16.152 1.00 0.24 C ATOM 113 O ALA A 8 5.874 16.070 17.012 1.00 0.33 O ATOM 114 CB ALA A 8 7.686 13.256 15.880 1.00 0.38 C ATOM 0 H ALA A 8 5.601 12.180 15.284 1.00 0.48 H new ATOM 0 HA ALA A 8 6.394 13.728 17.567 1.00 0.37 H new ATOM 0 HB1 ALA A 8 8.510 13.855 16.269 1.00 0.38 H new ATOM 0 HB2 ALA A 8 7.831 12.213 16.161 1.00 0.38 H new ATOM 0 HB3 ALA A 8 7.659 13.339 14.793 1.00 0.38 H new ATOM 120 N ALA A 9 5.908 15.478 14.893 1.00 0.34 N ATOM 121 CA ALA A 9 5.608 16.842 14.395 1.00 0.55 C ATOM 122 C ALA A 9 4.335 17.410 15.054 1.00 0.52 C ATOM 123 O ALA A 9 4.240 18.582 15.382 1.00 0.57 O ATOM 124 CB ALA A 9 5.457 16.728 12.893 1.00 0.83 C ATOM 0 H ALA A 9 6.013 14.774 14.162 1.00 0.34 H new ATOM 0 HA ALA A 9 6.409 17.536 14.649 1.00 0.55 H new ATOM 0 HB1 ALA A 9 5.234 17.709 12.474 1.00 0.83 H new ATOM 0 HB2 ALA A 9 6.384 16.351 12.462 1.00 0.83 H new ATOM 0 HB3 ALA A 9 4.643 16.041 12.660 1.00 0.83 H new ATOM 130 N GLU A 10 3.378 16.560 15.249 1.00 0.53 N ATOM 131 CA GLU A 10 2.089 16.966 15.866 1.00 0.56 C ATOM 132 C GLU A 10 2.284 17.285 17.356 1.00 0.55 C ATOM 133 O GLU A 10 1.749 18.264 17.852 1.00 0.66 O ATOM 134 CB GLU A 10 1.167 15.800 15.593 1.00 0.75 C ATOM 135 CG GLU A 10 -0.252 16.138 16.053 1.00 1.18 C ATOM 136 CD GLU A 10 -1.259 15.058 15.607 1.00 1.50 C ATOM 137 OE1 GLU A 10 -0.900 13.912 15.375 1.00 2.47 O ATOM 138 OE2 GLU A 10 -2.394 15.478 15.534 1.00 0.76 O ATOM 0 H GLU A 10 3.434 15.572 15.001 1.00 0.53 H new ATOM 0 HA GLU A 10 1.667 17.884 15.456 1.00 0.56 H new ATOM 0 HB2 GLU A 10 1.167 15.567 14.528 1.00 0.75 H new ATOM 0 HB3 GLU A 10 1.526 14.912 16.114 1.00 0.75 H new ATOM 0 HG2 GLU A 10 -0.272 16.230 17.139 1.00 1.18 H new ATOM 0 HG3 GLU A 10 -0.548 17.105 15.645 1.00 1.18 H new ATOM 145 N GLU A 11 3.040 16.451 18.019 1.00 0.51 N ATOM 146 CA GLU A 11 3.320 16.638 19.452 1.00 0.56 C ATOM 147 C GLU A 11 4.224 17.893 19.592 1.00 0.43 C ATOM 148 O GLU A 11 4.004 18.700 20.470 1.00 0.36 O ATOM 149 CB GLU A 11 4.014 15.358 19.940 1.00 0.58 C ATOM 150 CG GLU A 11 3.067 14.103 19.947 1.00 0.68 C ATOM 151 CD GLU A 11 3.739 12.909 20.629 1.00 0.76 C ATOM 152 OE1 GLU A 11 3.571 12.849 21.832 1.00 0.86 O ATOM 153 OE2 GLU A 11 4.396 12.123 19.978 1.00 0.85 O ATOM 0 H GLU A 11 3.482 15.630 17.606 1.00 0.51 H new ATOM 0 HA GLU A 11 2.425 16.800 20.052 1.00 0.56 H new ATOM 0 HB2 GLU A 11 4.873 15.153 19.302 1.00 0.58 H new ATOM 0 HB3 GLU A 11 4.397 15.522 20.947 1.00 0.58 H new ATOM 0 HG2 GLU A 11 2.139 14.347 20.465 1.00 0.68 H new ATOM 0 HG3 GLU A 11 2.801 13.839 18.924 1.00 0.68 H new ATOM 160 N VAL A 12 5.218 18.038 18.746 1.00 0.43 N ATOM 161 CA VAL A 12 6.127 19.232 18.808 1.00 0.33 C ATOM 162 C VAL A 12 5.190 20.430 18.766 1.00 0.33 C ATOM 163 O VAL A 12 5.268 21.294 19.617 1.00 0.42 O ATOM 164 CB VAL A 12 7.131 19.211 17.601 1.00 0.26 C ATOM 165 CG1 VAL A 12 6.802 20.166 16.436 1.00 0.34 C ATOM 166 CG2 VAL A 12 8.511 19.638 18.119 1.00 0.12 C ATOM 0 H VAL A 12 5.442 17.372 18.006 1.00 0.43 H new ATOM 0 HA VAL A 12 6.749 19.254 19.703 1.00 0.33 H new ATOM 0 HB VAL A 12 7.079 18.195 17.210 1.00 0.26 H new ATOM 0 HG11 VAL A 12 7.561 20.068 15.660 1.00 0.34 H new ATOM 0 HG12 VAL A 12 5.825 19.913 16.023 1.00 0.34 H new ATOM 0 HG13 VAL A 12 6.787 21.193 16.801 1.00 0.34 H new ATOM 0 HG21 VAL A 12 9.226 19.631 17.297 1.00 0.12 H new ATOM 0 HG22 VAL A 12 8.448 20.643 18.537 1.00 0.12 H new ATOM 0 HG23 VAL A 12 8.840 18.944 18.892 1.00 0.12 H new ATOM 176 N LYS A 13 4.308 20.458 17.786 1.00 0.28 N ATOM 177 CA LYS A 13 3.329 21.605 17.682 1.00 0.46 C ATOM 178 C LYS A 13 2.513 21.846 18.991 1.00 0.47 C ATOM 179 O LYS A 13 1.722 22.763 19.059 1.00 0.51 O ATOM 180 CB LYS A 13 2.337 21.325 16.528 1.00 0.51 C ATOM 181 CG LYS A 13 3.039 21.368 15.159 1.00 2.45 C ATOM 182 CD LYS A 13 1.960 21.022 14.092 1.00 2.80 C ATOM 183 CE LYS A 13 2.569 20.633 12.738 1.00 5.40 C ATOM 184 NZ LYS A 13 3.267 19.317 12.897 1.00 7.17 N ATOM 0 H LYS A 13 4.222 19.746 17.060 1.00 0.28 H new ATOM 0 HA LYS A 13 3.919 22.503 17.497 1.00 0.46 H new ATOM 0 HB2 LYS A 13 1.877 20.348 16.672 1.00 0.51 H new ATOM 0 HB3 LYS A 13 1.534 22.062 16.550 1.00 0.51 H new ATOM 0 HG2 LYS A 13 3.465 22.354 14.973 1.00 2.45 H new ATOM 0 HG3 LYS A 13 3.862 20.654 15.123 1.00 2.45 H new ATOM 0 HD2 LYS A 13 1.343 20.201 14.458 1.00 2.80 H new ATOM 0 HD3 LYS A 13 1.301 21.880 13.956 1.00 2.80 H new ATOM 0 HE2 LYS A 13 1.791 20.561 11.978 1.00 5.40 H new ATOM 0 HE3 LYS A 13 3.271 21.397 12.404 1.00 5.40 H new ATOM 0 HZ1 LYS A 13 3.599 18.986 11.969 1.00 7.17 H new ATOM 0 HZ2 LYS A 13 4.080 19.430 13.536 1.00 7.17 H new ATOM 0 HZ3 LYS A 13 2.607 18.620 13.297 1.00 7.17 H new ATOM 198 N HIS A 14 2.734 21.026 19.982 1.00 0.45 N ATOM 199 CA HIS A 14 2.039 21.119 21.297 1.00 0.52 C ATOM 200 C HIS A 14 3.022 20.833 22.453 1.00 0.61 C ATOM 201 O HIS A 14 2.583 20.437 23.513 1.00 0.54 O ATOM 202 CB HIS A 14 0.884 20.100 21.334 1.00 0.54 C ATOM 203 CG HIS A 14 -0.150 20.443 20.276 1.00 0.78 C ATOM 204 ND1 HIS A 14 -0.153 19.962 19.084 1.00 0.90 N ATOM 205 CD2 HIS A 14 -1.245 21.284 20.318 1.00 0.97 C ATOM 206 CE1 HIS A 14 -1.160 20.449 18.424 1.00 1.15 C ATOM 207 NE2 HIS A 14 -1.864 21.276 19.156 1.00 1.21 N ATOM 0 H HIS A 14 3.402 20.257 19.928 1.00 0.45 H new ATOM 0 HA HIS A 14 1.647 22.129 21.419 1.00 0.52 H new ATOM 0 HB2 HIS A 14 1.270 19.095 21.164 1.00 0.54 H new ATOM 0 HB3 HIS A 14 0.420 20.100 22.320 1.00 0.54 H new ATOM 0 HD1 HIS A 14 0.530 19.301 18.714 1.00 0.90 H new ATOM 0 HD2 HIS A 14 -1.549 21.863 21.178 1.00 0.97 H new ATOM 0 HE1 HIS A 14 -1.389 20.202 17.398 1.00 1.15 H new ATOM 215 N LEU A 15 4.311 21.014 22.270 1.00 0.77 N ATOM 216 CA LEU A 15 5.248 20.731 23.414 1.00 0.92 C ATOM 217 C LEU A 15 4.842 21.441 24.720 1.00 0.74 C ATOM 218 O LEU A 15 4.313 22.536 24.704 1.00 0.72 O ATOM 219 CB LEU A 15 6.687 21.214 23.119 1.00 1.45 C ATOM 220 CG LEU A 15 7.393 20.569 21.924 1.00 2.09 C ATOM 221 CD1 LEU A 15 8.820 21.095 21.928 1.00 2.61 C ATOM 222 CD2 LEU A 15 7.412 19.032 22.044 1.00 2.21 C ATOM 0 H LEU A 15 4.748 21.336 21.406 1.00 0.77 H new ATOM 0 HA LEU A 15 5.198 19.648 23.530 1.00 0.92 H new ATOM 0 HB2 LEU A 15 6.659 22.292 22.957 1.00 1.45 H new ATOM 0 HB3 LEU A 15 7.294 21.041 24.008 1.00 1.45 H new ATOM 0 HG LEU A 15 6.868 20.815 21.001 1.00 2.09 H new ATOM 0 HD11 LEU A 15 9.369 20.663 21.091 1.00 2.61 H new ATOM 0 HD12 LEU A 15 8.808 22.181 21.833 1.00 2.61 H new ATOM 0 HD13 LEU A 15 9.307 20.818 22.863 1.00 2.61 H new ATOM 0 HD21 LEU A 15 7.921 18.606 21.179 1.00 2.21 H new ATOM 0 HD22 LEU A 15 7.940 18.745 22.953 1.00 2.21 H new ATOM 0 HD23 LEU A 15 6.389 18.658 22.084 1.00 2.21 H new ATOM 234 N LYS A 16 5.105 20.796 25.825 1.00 0.74 N ATOM 235 CA LYS A 16 4.763 21.422 27.141 1.00 0.88 C ATOM 236 C LYS A 16 5.501 22.771 27.321 1.00 0.43 C ATOM 237 O LYS A 16 5.003 23.699 27.925 1.00 0.36 O ATOM 238 CB LYS A 16 5.151 20.406 28.231 1.00 1.39 C ATOM 239 CG LYS A 16 4.919 20.988 29.652 1.00 1.63 C ATOM 240 CD LYS A 16 4.234 19.900 30.504 1.00 1.68 C ATOM 241 CE LYS A 16 2.769 19.787 30.063 1.00 3.68 C ATOM 242 NZ LYS A 16 2.229 18.508 30.594 1.00 5.74 N ATOM 0 H LYS A 16 5.537 19.873 25.877 1.00 0.74 H new ATOM 0 HA LYS A 16 3.699 21.652 27.202 1.00 0.88 H new ATOM 0 HB2 LYS A 16 4.564 19.496 28.108 1.00 1.39 H new ATOM 0 HB3 LYS A 16 6.199 20.128 28.116 1.00 1.39 H new ATOM 0 HG2 LYS A 16 5.866 21.285 30.102 1.00 1.63 H new ATOM 0 HG3 LYS A 16 4.296 21.881 29.601 1.00 1.63 H new ATOM 0 HD2 LYS A 16 4.742 18.944 30.378 1.00 1.68 H new ATOM 0 HD3 LYS A 16 4.292 20.155 31.562 1.00 1.68 H new ATOM 0 HE2 LYS A 16 2.191 20.631 30.440 1.00 3.68 H new ATOM 0 HE3 LYS A 16 2.695 19.810 28.976 1.00 3.68 H new ATOM 0 HZ1 LYS A 16 1.234 18.406 30.309 1.00 5.74 H new ATOM 0 HZ2 LYS A 16 2.781 17.713 30.213 1.00 5.74 H new ATOM 0 HZ3 LYS A 16 2.293 18.508 31.632 1.00 5.74 H new ATOM 256 N THR A 17 6.680 22.794 26.772 1.00 0.32 N ATOM 257 CA THR A 17 7.563 24.007 26.835 1.00 0.62 C ATOM 258 C THR A 17 7.940 24.499 25.439 1.00 0.89 C ATOM 259 O THR A 17 7.677 23.876 24.426 1.00 0.85 O ATOM 260 CB THR A 17 8.856 23.654 27.627 1.00 1.22 C ATOM 261 OG1 THR A 17 8.432 23.167 28.887 1.00 1.52 O ATOM 262 CG2 THR A 17 9.707 24.870 28.044 1.00 1.85 C ATOM 0 H THR A 17 7.086 22.006 26.267 1.00 0.32 H new ATOM 0 HA THR A 17 7.015 24.805 27.336 1.00 0.62 H new ATOM 0 HB THR A 17 9.429 22.989 26.981 1.00 1.22 H new ATOM 0 HG1 THR A 17 9.215 22.928 29.426 1.00 1.52 H new ATOM 0 HG21 THR A 17 10.586 24.529 28.590 1.00 1.85 H new ATOM 0 HG22 THR A 17 10.021 25.416 27.155 1.00 1.85 H new ATOM 0 HG23 THR A 17 9.116 25.526 28.683 1.00 1.85 H new ATOM 270 N LYS A 18 8.577 25.637 25.443 1.00 1.46 N ATOM 271 CA LYS A 18 9.033 26.284 24.183 1.00 1.99 C ATOM 272 C LYS A 18 10.474 25.812 23.894 1.00 2.02 C ATOM 273 O LYS A 18 11.337 25.986 24.735 1.00 2.26 O ATOM 274 CB LYS A 18 9.064 27.820 24.332 1.00 2.60 C ATOM 275 CG LYS A 18 7.664 28.436 24.343 1.00 2.33 C ATOM 276 CD LYS A 18 7.870 29.976 24.452 1.00 3.20 C ATOM 277 CE LYS A 18 6.575 30.709 24.142 1.00 1.15 C ATOM 278 NZ LYS A 18 5.602 30.437 25.246 1.00 0.98 N ATOM 0 H LYS A 18 8.806 26.158 26.290 1.00 1.46 H new ATOM 0 HA LYS A 18 8.346 26.014 23.381 1.00 1.99 H new ATOM 0 HB2 LYS A 18 9.580 28.082 25.256 1.00 2.60 H new ATOM 0 HB3 LYS A 18 9.640 28.250 23.512 1.00 2.60 H new ATOM 0 HG2 LYS A 18 7.118 28.179 23.435 1.00 2.33 H new ATOM 0 HG3 LYS A 18 7.080 28.061 25.183 1.00 2.33 H new ATOM 0 HD2 LYS A 18 8.209 30.233 25.455 1.00 3.20 H new ATOM 0 HD3 LYS A 18 8.650 30.295 23.760 1.00 3.20 H new ATOM 0 HE2 LYS A 18 6.757 31.780 24.053 1.00 1.15 H new ATOM 0 HE3 LYS A 18 6.169 30.374 23.188 1.00 1.15 H new ATOM 0 HZ1 LYS A 18 4.761 31.035 25.122 1.00 0.98 H new ATOM 0 HZ2 LYS A 18 5.321 29.436 25.223 1.00 0.98 H new ATOM 0 HZ3 LYS A 18 6.047 30.650 26.161 1.00 0.98 H new ATOM 292 N PRO A 19 10.699 25.224 22.743 1.00 1.87 N ATOM 293 CA PRO A 19 12.054 24.734 22.353 1.00 1.81 C ATOM 294 C PRO A 19 12.881 25.951 21.852 1.00 1.67 C ATOM 295 O PRO A 19 12.394 27.069 21.827 1.00 2.09 O ATOM 296 CB PRO A 19 11.746 23.687 21.280 1.00 1.83 C ATOM 297 CG PRO A 19 10.560 24.380 20.539 1.00 1.90 C ATOM 298 CD PRO A 19 9.682 24.939 21.688 1.00 1.90 C ATOM 0 HA PRO A 19 12.655 24.289 23.146 1.00 1.81 H new ATOM 0 HB2 PRO A 19 12.596 23.505 20.622 1.00 1.83 H new ATOM 0 HB3 PRO A 19 11.462 22.726 21.708 1.00 1.83 H new ATOM 0 HG2 PRO A 19 10.910 25.175 19.880 1.00 1.90 H new ATOM 0 HG3 PRO A 19 10.007 23.673 19.921 1.00 1.90 H new ATOM 0 HD2 PRO A 19 9.141 25.837 21.389 1.00 1.90 H new ATOM 0 HD3 PRO A 19 8.938 24.216 22.023 1.00 1.90 H new ATOM 306 N ALA A 20 14.105 25.707 21.465 1.00 1.22 N ATOM 307 CA ALA A 20 14.938 26.851 20.976 1.00 1.12 C ATOM 308 C ALA A 20 14.948 26.999 19.434 1.00 0.98 C ATOM 309 O ALA A 20 14.761 26.082 18.659 1.00 0.99 O ATOM 310 CB ALA A 20 16.361 26.640 21.520 1.00 1.15 C ATOM 0 H ALA A 20 14.557 24.793 21.464 1.00 1.22 H new ATOM 0 HA ALA A 20 14.504 27.782 21.340 1.00 1.12 H new ATOM 0 HB1 ALA A 20 17.003 27.455 21.186 1.00 1.15 H new ATOM 0 HB2 ALA A 20 16.335 26.622 22.610 1.00 1.15 H new ATOM 0 HB3 ALA A 20 16.755 25.693 21.151 1.00 1.15 H new ATOM 316 N ASP A 21 15.177 28.216 19.055 1.00 0.88 N ATOM 317 CA ASP A 21 15.237 28.638 17.625 1.00 0.74 C ATOM 318 C ASP A 21 15.874 27.613 16.646 1.00 0.75 C ATOM 319 O ASP A 21 15.204 27.093 15.777 1.00 0.74 O ATOM 320 CB ASP A 21 15.966 29.977 17.687 1.00 0.53 C ATOM 321 CG ASP A 21 15.230 30.841 18.711 1.00 2.61 C ATOM 322 OD1 ASP A 21 14.210 31.384 18.337 1.00 3.16 O ATOM 323 OD2 ASP A 21 15.743 30.882 19.815 1.00 4.71 O ATOM 0 H ASP A 21 15.334 28.981 19.711 1.00 0.88 H new ATOM 0 HA ASP A 21 14.240 28.714 17.191 1.00 0.74 H new ATOM 0 HB2 ASP A 21 17.007 29.836 17.979 1.00 0.53 H new ATOM 0 HB3 ASP A 21 15.971 30.459 16.709 1.00 0.53 H new ATOM 328 N GLU A 22 17.139 27.327 16.788 1.00 0.77 N ATOM 329 CA GLU A 22 17.777 26.337 15.851 1.00 0.76 C ATOM 330 C GLU A 22 17.076 24.954 15.829 1.00 0.85 C ATOM 331 O GLU A 22 17.072 24.267 14.825 1.00 0.76 O ATOM 332 CB GLU A 22 19.282 26.213 16.255 1.00 1.08 C ATOM 333 CG GLU A 22 20.089 27.488 15.758 1.00 1.37 C ATOM 334 CD GLU A 22 21.584 27.407 16.120 1.00 1.81 C ATOM 335 OE1 GLU A 22 22.162 26.393 15.760 1.00 3.19 O ATOM 336 OE2 GLU A 22 22.065 28.354 16.727 1.00 2.12 O ATOM 0 H GLU A 22 17.756 27.724 17.497 1.00 0.77 H new ATOM 0 HA GLU A 22 17.675 26.706 14.830 1.00 0.76 H new ATOM 0 HB2 GLU A 22 19.369 26.117 17.337 1.00 1.08 H new ATOM 0 HB3 GLU A 22 19.710 25.310 15.820 1.00 1.08 H new ATOM 0 HG2 GLU A 22 19.983 27.585 14.677 1.00 1.37 H new ATOM 0 HG3 GLU A 22 19.657 28.385 16.202 1.00 1.37 H new ATOM 343 N GLU A 23 16.479 24.567 16.926 1.00 1.06 N ATOM 344 CA GLU A 23 15.774 23.248 16.993 1.00 1.19 C ATOM 345 C GLU A 23 14.423 23.474 16.273 1.00 1.07 C ATOM 346 O GLU A 23 14.094 22.694 15.401 1.00 1.02 O ATOM 347 CB GLU A 23 15.642 22.873 18.512 1.00 1.44 C ATOM 348 CG GLU A 23 16.913 22.009 18.975 1.00 1.75 C ATOM 349 CD GLU A 23 16.758 20.496 18.742 1.00 2.96 C ATOM 350 OE1 GLU A 23 15.609 20.083 18.725 1.00 2.46 O ATOM 351 OE2 GLU A 23 17.780 19.827 18.599 1.00 5.16 O ATOM 0 H GLU A 23 16.448 25.112 17.788 1.00 1.06 H new ATOM 0 HA GLU A 23 16.287 22.416 16.510 1.00 1.19 H new ATOM 0 HB2 GLU A 23 15.569 23.779 19.114 1.00 1.44 H new ATOM 0 HB3 GLU A 23 14.726 22.305 18.677 1.00 1.44 H new ATOM 0 HG2 GLU A 23 17.794 22.361 18.438 1.00 1.75 H new ATOM 0 HG3 GLU A 23 17.094 22.187 20.035 1.00 1.75 H new ATOM 358 N MET A 24 13.660 24.495 16.606 1.00 1.03 N ATOM 359 CA MET A 24 12.360 24.673 15.860 1.00 1.07 C ATOM 360 C MET A 24 12.782 24.729 14.377 1.00 0.85 C ATOM 361 O MET A 24 12.146 24.104 13.554 1.00 0.85 O ATOM 362 CB MET A 24 11.622 25.985 16.301 1.00 1.14 C ATOM 363 CG MET A 24 12.481 27.228 16.272 1.00 1.90 C ATOM 364 SD MET A 24 11.635 28.801 16.554 1.00 1.85 S ATOM 365 CE MET A 24 12.610 29.857 15.449 1.00 4.53 C ATOM 0 H MET A 24 13.865 25.186 17.328 1.00 1.03 H new ATOM 0 HA MET A 24 11.652 23.868 16.058 1.00 1.07 H new ATOM 0 HB2 MET A 24 10.761 26.139 15.650 1.00 1.14 H new ATOM 0 HB3 MET A 24 11.237 25.848 17.312 1.00 1.14 H new ATOM 0 HG2 MET A 24 13.262 27.121 17.025 1.00 1.90 H new ATOM 0 HG3 MET A 24 12.978 27.277 15.303 1.00 1.90 H new ATOM 0 HE1 MET A 24 12.810 30.810 15.939 1.00 4.53 H new ATOM 0 HE2 MET A 24 13.554 29.365 15.214 1.00 4.53 H new ATOM 0 HE3 MET A 24 12.053 30.032 14.528 1.00 4.53 H new ATOM 375 N LEU A 25 13.822 25.464 14.038 1.00 0.62 N ATOM 376 CA LEU A 25 14.289 25.530 12.639 1.00 0.37 C ATOM 377 C LEU A 25 14.631 24.104 12.191 1.00 0.28 C ATOM 378 O LEU A 25 14.265 23.717 11.108 1.00 0.20 O ATOM 379 CB LEU A 25 15.516 26.462 12.613 1.00 0.33 C ATOM 380 CG LEU A 25 15.038 27.861 12.230 1.00 0.25 C ATOM 381 CD1 LEU A 25 16.158 28.882 12.413 1.00 0.24 C ATOM 382 CD2 LEU A 25 14.731 27.853 10.742 1.00 0.32 C ATOM 0 H LEU A 25 14.366 26.025 14.694 1.00 0.62 H new ATOM 0 HA LEU A 25 13.537 25.926 11.956 1.00 0.37 H new ATOM 0 HB2 LEU A 25 16.002 26.479 13.588 1.00 0.33 H new ATOM 0 HB3 LEU A 25 16.253 26.101 11.896 1.00 0.33 H new ATOM 0 HG LEU A 25 14.179 28.118 12.849 1.00 0.25 H new ATOM 0 HD11 LEU A 25 15.797 29.872 12.135 1.00 0.24 H new ATOM 0 HD12 LEU A 25 16.475 28.891 13.456 1.00 0.24 H new ATOM 0 HD13 LEU A 25 17.003 28.613 11.779 1.00 0.24 H new ATOM 0 HD21 LEU A 25 14.386 28.841 10.436 1.00 0.32 H new ATOM 0 HD22 LEU A 25 15.632 27.595 10.186 1.00 0.32 H new ATOM 0 HD23 LEU A 25 13.954 27.117 10.535 1.00 0.32 H new ATOM 394 N PHE A 26 15.308 23.341 13.018 1.00 0.37 N ATOM 395 CA PHE A 26 15.677 21.922 12.642 1.00 0.35 C ATOM 396 C PHE A 26 14.378 21.201 12.249 1.00 0.33 C ATOM 397 O PHE A 26 14.309 20.579 11.211 1.00 0.28 O ATOM 398 CB PHE A 26 16.326 21.215 13.843 1.00 0.42 C ATOM 399 CG PHE A 26 16.822 19.810 13.447 1.00 0.34 C ATOM 400 CD1 PHE A 26 15.960 18.731 13.452 1.00 2.18 C ATOM 401 CD2 PHE A 26 18.138 19.607 13.086 1.00 2.58 C ATOM 402 CE1 PHE A 26 16.397 17.470 13.108 1.00 2.29 C ATOM 403 CE2 PHE A 26 18.581 18.344 12.740 1.00 2.48 C ATOM 404 CZ PHE A 26 17.709 17.277 12.751 1.00 0.24 C ATOM 0 H PHE A 26 15.625 23.634 13.942 1.00 0.37 H new ATOM 0 HA PHE A 26 16.389 21.913 11.816 1.00 0.35 H new ATOM 0 HB2 PHE A 26 17.161 21.810 14.213 1.00 0.42 H new ATOM 0 HB3 PHE A 26 15.606 21.135 14.657 1.00 0.42 H new ATOM 0 HD1 PHE A 26 14.927 18.878 13.730 1.00 2.18 H new ATOM 0 HD2 PHE A 26 18.826 20.439 13.074 1.00 2.58 H new ATOM 0 HE1 PHE A 26 15.710 16.637 13.119 1.00 2.29 H new ATOM 0 HE2 PHE A 26 19.613 18.193 12.460 1.00 2.48 H new ATOM 0 HZ PHE A 26 18.057 16.291 12.479 1.00 0.24 H new ATOM 414 N ILE A 27 13.394 21.312 13.111 1.00 0.39 N ATOM 415 CA ILE A 27 12.059 20.678 12.864 1.00 0.42 C ATOM 416 C ILE A 27 11.643 21.308 11.544 1.00 0.36 C ATOM 417 O ILE A 27 11.708 20.641 10.549 1.00 0.23 O ATOM 418 CB ILE A 27 11.083 21.061 14.017 1.00 0.45 C ATOM 419 CG1 ILE A 27 11.166 20.072 15.221 1.00 0.50 C ATOM 420 CG2 ILE A 27 9.590 21.049 13.562 1.00 0.51 C ATOM 421 CD1 ILE A 27 12.601 19.814 15.715 1.00 0.48 C ATOM 0 H ILE A 27 13.462 21.824 13.990 1.00 0.39 H new ATOM 0 HA ILE A 27 12.068 19.589 12.827 1.00 0.42 H new ATOM 0 HB ILE A 27 11.396 22.063 14.310 1.00 0.45 H new ATOM 0 HG12 ILE A 27 10.573 20.468 16.046 1.00 0.50 H new ATOM 0 HG13 ILE A 27 10.715 19.123 14.931 1.00 0.50 H new ATOM 0 HG21 ILE A 27 8.951 21.323 14.402 1.00 0.51 H new ATOM 0 HG22 ILE A 27 9.451 21.765 12.752 1.00 0.51 H new ATOM 0 HG23 ILE A 27 9.324 20.051 13.214 1.00 0.51 H new ATOM 0 HD11 ILE A 27 12.578 19.117 16.553 1.00 0.48 H new ATOM 0 HD12 ILE A 27 13.193 19.388 14.905 1.00 0.48 H new ATOM 0 HD13 ILE A 27 13.049 20.754 16.037 1.00 0.48 H new ATOM 433 N TYR A 28 11.210 22.542 11.577 1.00 0.50 N ATOM 434 CA TYR A 28 10.790 23.275 10.334 1.00 0.50 C ATOM 435 C TYR A 28 11.431 22.686 9.059 1.00 0.32 C ATOM 436 O TYR A 28 10.796 22.190 8.157 1.00 0.34 O ATOM 437 CB TYR A 28 11.203 24.730 10.462 1.00 0.71 C ATOM 438 CG TYR A 28 10.613 25.531 9.302 1.00 0.91 C ATOM 439 CD1 TYR A 28 9.352 26.083 9.416 1.00 2.45 C ATOM 440 CD2 TYR A 28 11.326 25.711 8.129 1.00 2.73 C ATOM 441 CE1 TYR A 28 8.816 26.808 8.370 1.00 2.60 C ATOM 442 CE2 TYR A 28 10.781 26.434 7.093 1.00 2.80 C ATOM 443 CZ TYR A 28 9.529 26.984 7.215 1.00 1.44 C ATOM 444 OH TYR A 28 8.996 27.738 6.200 1.00 1.77 O ATOM 0 H TYR A 28 11.126 23.090 12.433 1.00 0.50 H new ATOM 0 HA TYR A 28 9.709 23.175 10.238 1.00 0.50 H new ATOM 0 HB2 TYR A 28 10.855 25.136 11.412 1.00 0.71 H new ATOM 0 HB3 TYR A 28 12.290 24.812 10.459 1.00 0.71 H new ATOM 0 HD1 TYR A 28 8.784 25.947 10.325 1.00 2.45 H new ATOM 0 HD2 TYR A 28 12.312 25.283 8.027 1.00 2.73 H new ATOM 0 HE1 TYR A 28 7.830 27.238 8.464 1.00 2.60 H new ATOM 0 HE2 TYR A 28 11.341 26.570 6.179 1.00 2.80 H new ATOM 0 HH TYR A 28 9.625 27.768 5.449 1.00 1.77 H new ATOM 454 N SER A 29 12.726 22.733 9.027 1.00 0.22 N ATOM 455 CA SER A 29 13.535 22.226 7.879 1.00 0.13 C ATOM 456 C SER A 29 13.353 20.712 7.657 1.00 0.24 C ATOM 457 O SER A 29 12.689 20.281 6.727 1.00 0.47 O ATOM 458 CB SER A 29 15.017 22.658 8.222 1.00 0.13 C ATOM 459 OG SER A 29 15.385 21.995 9.437 1.00 0.32 O ATOM 0 H SER A 29 13.289 23.120 9.785 1.00 0.22 H new ATOM 0 HA SER A 29 13.220 22.646 6.924 1.00 0.13 H new ATOM 0 HB2 SER A 29 15.694 22.382 7.414 1.00 0.13 H new ATOM 0 HB3 SER A 29 15.084 23.740 8.339 1.00 0.13 H new ATOM 0 HG SER A 29 15.189 22.578 10.200 1.00 0.32 H new ATOM 465 N HIS A 30 13.940 19.921 8.515 1.00 0.47 N ATOM 466 CA HIS A 30 13.829 18.426 8.406 1.00 0.51 C ATOM 467 C HIS A 30 12.372 17.999 8.122 1.00 0.51 C ATOM 468 O HIS A 30 12.084 17.068 7.410 1.00 0.50 O ATOM 469 CB HIS A 30 14.310 17.802 9.733 1.00 0.48 C ATOM 470 CG HIS A 30 15.824 17.747 9.770 1.00 0.60 C ATOM 471 ND1 HIS A 30 16.497 16.664 9.613 1.00 2.65 N ATOM 472 CD2 HIS A 30 16.777 18.726 9.947 1.00 1.63 C ATOM 473 CE1 HIS A 30 17.769 16.922 9.679 1.00 2.20 C ATOM 474 NE2 HIS A 30 17.984 18.197 9.886 1.00 0.63 N ATOM 0 H HIS A 30 14.502 20.247 9.301 1.00 0.47 H new ATOM 0 HA HIS A 30 14.446 18.079 7.578 1.00 0.51 H new ATOM 0 HB2 HIS A 30 13.940 18.389 10.574 1.00 0.48 H new ATOM 0 HB3 HIS A 30 13.900 16.798 9.840 1.00 0.48 H new ATOM 0 HD2 HIS A 30 16.567 19.773 10.111 1.00 1.63 H new ATOM 0 HE1 HIS A 30 18.548 16.181 9.576 1.00 2.20 H new ATOM 0 HE2 HIS A 30 18.881 18.673 9.979 1.00 0.63 H new ATOM 482 N TYR A 31 11.470 18.733 8.689 1.00 0.52 N ATOM 483 CA TYR A 31 9.999 18.522 8.576 1.00 0.51 C ATOM 484 C TYR A 31 9.612 18.757 7.134 1.00 0.38 C ATOM 485 O TYR A 31 9.091 17.904 6.440 1.00 0.52 O ATOM 486 CB TYR A 31 9.334 19.539 9.495 1.00 0.74 C ATOM 487 CG TYR A 31 7.821 19.450 9.554 1.00 0.87 C ATOM 488 CD1 TYR A 31 7.215 18.331 10.096 1.00 0.73 C ATOM 489 CD2 TYR A 31 7.045 20.500 9.081 1.00 1.30 C ATOM 490 CE1 TYR A 31 5.846 18.268 10.161 1.00 0.91 C ATOM 491 CE2 TYR A 31 5.667 20.412 9.164 1.00 1.55 C ATOM 492 CZ TYR A 31 5.070 19.298 9.706 1.00 1.35 C ATOM 493 OH TYR A 31 3.701 19.198 9.818 1.00 1.63 O ATOM 0 H TYR A 31 11.710 19.534 9.273 1.00 0.52 H new ATOM 0 HA TYR A 31 9.692 17.516 8.863 1.00 0.51 H new ATOM 0 HB2 TYR A 31 9.731 19.412 10.502 1.00 0.74 H new ATOM 0 HB3 TYR A 31 9.612 20.541 9.167 1.00 0.74 H new ATOM 0 HD1 TYR A 31 7.815 17.513 10.465 1.00 0.73 H new ATOM 0 HD2 TYR A 31 7.512 21.375 8.653 1.00 1.30 H new ATOM 0 HE1 TYR A 31 5.374 17.391 10.578 1.00 0.91 H new ATOM 0 HE2 TYR A 31 5.055 21.224 8.800 1.00 1.55 H new ATOM 0 HH TYR A 31 3.283 20.006 9.453 1.00 1.63 H new ATOM 503 N LYS A 32 9.909 19.945 6.694 1.00 0.23 N ATOM 504 CA LYS A 32 9.562 20.275 5.291 1.00 0.27 C ATOM 505 C LYS A 32 10.132 19.145 4.400 1.00 0.25 C ATOM 506 O LYS A 32 9.468 18.692 3.488 1.00 0.31 O ATOM 507 CB LYS A 32 10.126 21.643 5.021 1.00 0.30 C ATOM 508 CG LYS A 32 9.410 22.727 5.864 1.00 0.60 C ATOM 509 CD LYS A 32 8.062 23.255 5.311 1.00 1.08 C ATOM 510 CE LYS A 32 6.968 22.252 4.972 1.00 1.29 C ATOM 511 NZ LYS A 32 7.277 21.442 3.747 1.00 2.41 N ATOM 0 H LYS A 32 10.365 20.683 7.230 1.00 0.23 H new ATOM 0 HA LYS A 32 8.493 20.322 5.082 1.00 0.27 H new ATOM 0 HB2 LYS A 32 11.192 21.650 5.247 1.00 0.30 H new ATOM 0 HB3 LYS A 32 10.024 21.878 3.961 1.00 0.30 H new ATOM 0 HG2 LYS A 32 9.235 22.323 6.861 1.00 0.60 H new ATOM 0 HG3 LYS A 32 10.087 23.574 5.977 1.00 0.60 H new ATOM 0 HD2 LYS A 32 7.655 23.953 6.043 1.00 1.08 H new ATOM 0 HD3 LYS A 32 8.276 23.828 4.409 1.00 1.08 H new ATOM 0 HE2 LYS A 32 6.823 21.581 5.818 1.00 1.29 H new ATOM 0 HE3 LYS A 32 6.028 22.784 4.822 1.00 1.29 H new ATOM 0 HZ1 LYS A 32 6.586 21.663 3.001 1.00 2.41 H new ATOM 0 HZ2 LYS A 32 8.234 21.672 3.411 1.00 2.41 H new ATOM 0 HZ3 LYS A 32 7.225 20.429 3.978 1.00 2.41 H new ATOM 525 N GLN A 33 11.329 18.725 4.728 1.00 0.47 N ATOM 526 CA GLN A 33 12.005 17.618 3.962 1.00 0.54 C ATOM 527 C GLN A 33 11.221 16.274 4.122 1.00 0.52 C ATOM 528 O GLN A 33 11.039 15.491 3.215 1.00 0.55 O ATOM 529 CB GLN A 33 13.433 17.517 4.502 1.00 0.78 C ATOM 530 CG GLN A 33 14.229 16.486 3.680 1.00 1.80 C ATOM 531 CD GLN A 33 14.142 16.780 2.189 1.00 0.75 C ATOM 532 OE1 GLN A 33 13.252 16.332 1.511 1.00 1.48 O ATOM 533 NE2 GLN A 33 15.011 17.526 1.602 1.00 1.79 N ATOM 0 H GLN A 33 11.877 19.103 5.501 1.00 0.47 H new ATOM 0 HA GLN A 33 12.023 17.829 2.893 1.00 0.54 H new ATOM 0 HB2 GLN A 33 13.920 18.491 4.452 1.00 0.78 H new ATOM 0 HB3 GLN A 33 13.415 17.223 5.552 1.00 0.78 H new ATOM 0 HG2 GLN A 33 15.273 16.495 3.994 1.00 1.80 H new ATOM 0 HG3 GLN A 33 13.845 15.485 3.878 1.00 1.80 H new ATOM 0 HE21 GLN A 33 15.782 17.927 2.136 1.00 1.79 H new ATOM 0 HE22 GLN A 33 14.929 17.716 0.603 1.00 1.79 H new ATOM 542 N ALA A 34 10.763 16.023 5.317 1.00 0.53 N ATOM 543 CA ALA A 34 9.977 14.777 5.623 1.00 0.54 C ATOM 544 C ALA A 34 8.429 14.965 5.358 1.00 1.01 C ATOM 545 O ALA A 34 7.615 14.110 5.684 1.00 2.06 O ATOM 546 CB ALA A 34 10.280 14.448 7.082 1.00 0.49 C ATOM 0 H ALA A 34 10.900 16.639 6.118 1.00 0.53 H new ATOM 0 HA ALA A 34 10.266 13.956 4.966 1.00 0.54 H new ATOM 0 HB1 ALA A 34 9.738 13.548 7.372 1.00 0.49 H new ATOM 0 HB2 ALA A 34 11.350 14.282 7.203 1.00 0.49 H new ATOM 0 HB3 ALA A 34 9.968 15.279 7.715 1.00 0.49 H new ATOM 552 N THR A 35 8.094 16.110 4.794 1.00 0.41 N ATOM 553 CA THR A 35 6.645 16.449 4.443 1.00 0.84 C ATOM 554 C THR A 35 6.397 16.667 2.951 1.00 0.34 C ATOM 555 O THR A 35 5.524 16.064 2.367 1.00 0.47 O ATOM 556 CB THR A 35 6.113 17.751 5.101 1.00 1.50 C ATOM 557 OG1 THR A 35 7.076 18.760 4.842 1.00 1.51 O ATOM 558 CG2 THR A 35 6.049 17.633 6.605 1.00 1.93 C ATOM 0 H THR A 35 8.764 16.841 4.555 1.00 0.41 H new ATOM 0 HA THR A 35 6.130 15.565 4.819 1.00 0.84 H new ATOM 0 HB THR A 35 5.119 17.960 4.705 1.00 1.50 H new ATOM 0 HG1 THR A 35 7.832 18.656 5.457 1.00 1.51 H new ATOM 0 HG21 THR A 35 5.672 18.564 7.027 1.00 1.93 H new ATOM 0 HG22 THR A 35 5.382 16.815 6.878 1.00 1.93 H new ATOM 0 HG23 THR A 35 7.046 17.434 6.997 1.00 1.93 H new ATOM 566 N VAL A 36 7.168 17.537 2.385 1.00 0.15 N ATOM 567 CA VAL A 36 7.061 17.880 0.914 1.00 0.57 C ATOM 568 C VAL A 36 8.290 17.376 0.156 1.00 0.65 C ATOM 569 O VAL A 36 8.226 16.974 -0.992 1.00 0.96 O ATOM 570 CB VAL A 36 6.954 19.430 0.744 1.00 0.97 C ATOM 571 CG1 VAL A 36 6.889 19.815 -0.767 1.00 1.47 C ATOM 572 CG2 VAL A 36 5.678 19.949 1.415 1.00 0.97 C ATOM 0 H VAL A 36 7.897 18.051 2.880 1.00 0.15 H new ATOM 0 HA VAL A 36 6.171 17.399 0.509 1.00 0.57 H new ATOM 0 HB VAL A 36 7.836 19.875 1.205 1.00 0.97 H new ATOM 0 HG11 VAL A 36 6.815 20.898 -0.864 1.00 1.47 H new ATOM 0 HG12 VAL A 36 7.791 19.467 -1.270 1.00 1.47 H new ATOM 0 HG13 VAL A 36 6.016 19.349 -1.224 1.00 1.47 H new ATOM 0 HG21 VAL A 36 5.615 21.030 1.290 1.00 0.97 H new ATOM 0 HG22 VAL A 36 4.808 19.479 0.956 1.00 0.97 H new ATOM 0 HG23 VAL A 36 5.702 19.708 2.478 1.00 0.97 H new ATOM 582 N GLY A 37 9.374 17.427 0.871 1.00 0.44 N ATOM 583 CA GLY A 37 10.699 16.999 0.337 1.00 0.57 C ATOM 584 C GLY A 37 11.581 18.239 0.240 1.00 0.52 C ATOM 585 O GLY A 37 11.641 19.069 1.142 1.00 0.59 O ATOM 0 H GLY A 37 9.400 17.758 1.835 1.00 0.44 H new ATOM 0 HA2 GLY A 37 11.154 16.256 0.992 1.00 0.57 H new ATOM 0 HA3 GLY A 37 10.585 16.533 -0.642 1.00 0.57 H new ATOM 589 N ASP A 38 12.275 18.283 -0.866 1.00 0.41 N ATOM 590 CA ASP A 38 13.168 19.400 -1.161 1.00 0.51 C ATOM 591 C ASP A 38 12.392 20.725 -1.059 1.00 0.79 C ATOM 592 O ASP A 38 11.185 20.787 -0.901 1.00 1.92 O ATOM 593 CB ASP A 38 13.732 19.205 -2.599 1.00 0.53 C ATOM 594 CG ASP A 38 14.379 17.857 -2.907 1.00 0.47 C ATOM 595 OD1 ASP A 38 14.044 16.863 -2.279 1.00 1.93 O ATOM 596 OD2 ASP A 38 15.206 17.958 -3.804 1.00 2.47 O ATOM 0 H ASP A 38 12.247 17.562 -1.587 1.00 0.41 H new ATOM 0 HA ASP A 38 13.990 19.432 -0.446 1.00 0.51 H new ATOM 0 HB2 ASP A 38 12.918 19.361 -3.307 1.00 0.53 H new ATOM 0 HB3 ASP A 38 14.470 19.986 -2.784 1.00 0.53 H new ATOM 601 N ILE A 39 13.139 21.779 -1.178 1.00 0.39 N ATOM 602 CA ILE A 39 12.465 23.093 -1.090 1.00 0.30 C ATOM 603 C ILE A 39 12.234 23.558 -2.542 1.00 0.48 C ATOM 604 O ILE A 39 13.134 23.854 -3.305 1.00 0.70 O ATOM 605 CB ILE A 39 13.370 24.008 -0.260 1.00 0.41 C ATOM 606 CG1 ILE A 39 12.464 25.189 0.158 1.00 0.70 C ATOM 607 CG2 ILE A 39 14.635 24.449 -1.040 1.00 0.49 C ATOM 608 CD1 ILE A 39 13.177 25.976 1.278 1.00 1.01 C ATOM 0 H ILE A 39 14.148 21.792 -1.327 1.00 0.39 H new ATOM 0 HA ILE A 39 11.495 23.081 -0.593 1.00 0.30 H new ATOM 0 HB ILE A 39 13.777 23.499 0.614 1.00 0.41 H new ATOM 0 HG12 ILE A 39 12.268 25.838 -0.696 1.00 0.70 H new ATOM 0 HG13 ILE A 39 11.499 24.822 0.507 1.00 0.70 H new ATOM 0 HG21 ILE A 39 15.244 25.096 -0.409 1.00 0.49 H new ATOM 0 HG22 ILE A 39 15.213 23.569 -1.323 1.00 0.49 H new ATOM 0 HG23 ILE A 39 14.338 24.992 -1.937 1.00 0.49 H new ATOM 0 HD11 ILE A 39 12.553 26.815 1.587 1.00 1.01 H new ATOM 0 HD12 ILE A 39 13.351 25.319 2.130 1.00 1.01 H new ATOM 0 HD13 ILE A 39 14.131 26.351 0.908 1.00 1.01 H new ATOM 805 N LYS A 52 13.107 34.161 5.829 1.00 1.07 N ATOM 806 CA LYS A 52 14.318 33.831 5.014 1.00 1.32 C ATOM 807 C LYS A 52 15.093 32.744 5.761 1.00 1.18 C ATOM 808 O LYS A 52 15.557 31.810 5.149 1.00 1.31 O ATOM 809 CB LYS A 52 15.172 35.140 4.805 1.00 1.61 C ATOM 810 CG LYS A 52 16.365 35.314 5.808 1.00 1.57 C ATOM 811 CD LYS A 52 17.216 36.539 5.329 1.00 2.22 C ATOM 812 CE LYS A 52 18.508 36.746 6.135 1.00 2.45 C ATOM 813 NZ LYS A 52 19.254 35.445 6.132 1.00 2.33 N ATOM 0 HA LYS A 52 14.055 33.457 4.024 1.00 1.32 H new ATOM 0 HB2 LYS A 52 15.567 35.141 3.789 1.00 1.61 H new ATOM 0 HB3 LYS A 52 14.514 36.004 4.892 1.00 1.61 H new ATOM 0 HG2 LYS A 52 15.993 35.479 6.819 1.00 1.57 H new ATOM 0 HG3 LYS A 52 16.976 34.412 5.836 1.00 1.57 H new ATOM 0 HD2 LYS A 52 17.471 36.404 4.278 1.00 2.22 H new ATOM 0 HD3 LYS A 52 16.608 37.441 5.396 1.00 2.22 H new ATOM 0 HE2 LYS A 52 19.114 37.536 5.692 1.00 2.45 H new ATOM 0 HE3 LYS A 52 18.278 37.054 7.155 1.00 2.45 H new ATOM 0 HZ1 LYS A 52 20.251 35.616 6.375 1.00 2.33 H new ATOM 0 HZ2 LYS A 52 18.832 34.801 6.832 1.00 2.33 H new ATOM 0 HZ3 LYS A 52 19.197 35.014 5.187 1.00 2.33 H new ATOM 827 N ALA A 53 15.183 32.879 7.067 1.00 0.99 N ATOM 828 CA ALA A 53 15.924 31.852 7.860 1.00 1.02 C ATOM 829 C ALA A 53 15.183 30.507 7.625 1.00 0.77 C ATOM 830 O ALA A 53 15.689 29.655 6.942 1.00 1.06 O ATOM 831 CB ALA A 53 15.890 32.308 9.330 1.00 0.97 C ATOM 0 H ALA A 53 14.781 33.645 7.607 1.00 0.99 H new ATOM 0 HA ALA A 53 16.968 31.728 7.574 1.00 1.02 H new ATOM 0 HB1 ALA A 53 16.422 31.584 9.948 1.00 0.97 H new ATOM 0 HB2 ALA A 53 16.369 33.283 9.420 1.00 0.97 H new ATOM 0 HB3 ALA A 53 14.855 32.380 9.665 1.00 0.97 H new ATOM 837 N LYS A 54 14.014 30.318 8.176 1.00 0.25 N ATOM 838 CA LYS A 54 13.256 29.036 7.966 1.00 0.22 C ATOM 839 C LYS A 54 13.334 28.439 6.535 1.00 0.39 C ATOM 840 O LYS A 54 13.616 27.266 6.321 1.00 0.38 O ATOM 841 CB LYS A 54 11.769 29.313 8.359 1.00 0.70 C ATOM 842 CG LYS A 54 11.452 28.865 9.821 1.00 2.61 C ATOM 843 CD LYS A 54 11.771 29.965 10.872 1.00 5.28 C ATOM 844 CE LYS A 54 10.576 30.925 10.953 1.00 5.78 C ATOM 845 NZ LYS A 54 10.858 31.975 11.980 1.00 8.35 N ATOM 0 H LYS A 54 13.542 31.000 8.770 1.00 0.25 H new ATOM 0 HA LYS A 54 13.724 28.276 8.591 1.00 0.22 H new ATOM 0 HB2 LYS A 54 11.559 30.377 8.253 1.00 0.70 H new ATOM 0 HB3 LYS A 54 11.109 28.788 7.669 1.00 0.70 H new ATOM 0 HG2 LYS A 54 10.398 28.595 9.893 1.00 2.61 H new ATOM 0 HG3 LYS A 54 12.027 27.969 10.054 1.00 2.61 H new ATOM 0 HD2 LYS A 54 11.961 29.514 11.846 1.00 5.28 H new ATOM 0 HD3 LYS A 54 12.674 30.507 10.590 1.00 5.28 H new ATOM 0 HE2 LYS A 54 10.399 31.387 9.982 1.00 5.78 H new ATOM 0 HE3 LYS A 54 9.671 30.377 11.215 1.00 5.78 H new ATOM 0 HZ1 LYS A 54 10.051 32.628 12.039 1.00 8.35 H new ATOM 0 HZ2 LYS A 54 11.007 31.524 12.905 1.00 8.35 H new ATOM 0 HZ3 LYS A 54 11.712 32.503 11.711 1.00 8.35 H new ATOM 859 N TRP A 55 13.093 29.299 5.581 1.00 0.66 N ATOM 860 CA TRP A 55 13.118 28.847 4.173 1.00 1.00 C ATOM 861 C TRP A 55 14.489 28.345 3.771 1.00 0.97 C ATOM 862 O TRP A 55 14.683 27.192 3.434 1.00 0.89 O ATOM 863 CB TRP A 55 12.693 30.014 3.282 1.00 1.40 C ATOM 864 CG TRP A 55 12.353 29.382 1.925 1.00 1.69 C ATOM 865 CD1 TRP A 55 11.122 28.905 1.564 1.00 1.91 C ATOM 866 CD2 TRP A 55 13.237 29.163 0.926 1.00 1.84 C ATOM 867 NE1 TRP A 55 11.349 28.421 0.357 1.00 2.11 N ATOM 868 CE2 TRP A 55 12.574 28.527 -0.110 1.00 2.08 C ATOM 869 CE3 TRP A 55 14.594 29.446 0.786 1.00 1.88 C ATOM 870 CZ2 TRP A 55 13.233 28.164 -1.270 1.00 2.24 C ATOM 871 CZ3 TRP A 55 15.269 29.084 -0.375 1.00 2.11 C ATOM 872 CH2 TRP A 55 14.588 28.444 -1.405 1.00 2.27 C ATOM 0 H TRP A 55 12.882 30.287 5.721 1.00 0.66 H new ATOM 0 HA TRP A 55 12.427 28.012 4.056 1.00 1.00 H new ATOM 0 HB2 TRP A 55 11.832 30.535 3.700 1.00 1.40 H new ATOM 0 HB3 TRP A 55 13.494 30.747 3.185 1.00 1.40 H new ATOM 0 HD1 TRP A 55 10.199 28.921 2.124 1.00 1.91 H new ATOM 0 HE1 TRP A 55 10.607 27.984 -0.190 1.00 2.11 H new ATOM 0 HE3 TRP A 55 15.124 29.948 1.582 1.00 1.88 H new ATOM 0 HZ2 TRP A 55 12.699 27.666 -2.066 1.00 2.24 H new ATOM 0 HZ3 TRP A 55 16.322 29.300 -0.477 1.00 2.11 H new ATOM 0 HH2 TRP A 55 15.111 28.165 -2.308 1.00 2.27 H new ATOM 883 N ASP A 56 15.423 29.240 3.834 1.00 1.12 N ATOM 884 CA ASP A 56 16.806 28.824 3.458 1.00 1.35 C ATOM 885 C ASP A 56 17.208 27.604 4.341 1.00 1.09 C ATOM 886 O ASP A 56 17.808 26.642 3.916 1.00 1.00 O ATOM 887 CB ASP A 56 17.688 30.059 3.648 1.00 1.68 C ATOM 888 CG ASP A 56 17.583 30.902 2.362 1.00 2.07 C ATOM 889 OD1 ASP A 56 17.926 30.390 1.299 1.00 3.31 O ATOM 890 OD2 ASP A 56 17.155 32.040 2.461 1.00 1.43 O ATOM 0 H ASP A 56 15.304 30.212 4.119 1.00 1.12 H new ATOM 0 HA ASP A 56 16.907 28.491 2.425 1.00 1.35 H new ATOM 0 HB2 ASP A 56 17.360 30.636 4.513 1.00 1.68 H new ATOM 0 HB3 ASP A 56 18.722 29.768 3.833 1.00 1.68 H new ATOM 895 N ALA A 57 16.851 27.658 5.583 1.00 0.97 N ATOM 896 CA ALA A 57 17.145 26.566 6.561 1.00 0.84 C ATOM 897 C ALA A 57 16.622 25.228 5.989 1.00 0.59 C ATOM 898 O ALA A 57 17.246 24.201 6.140 1.00 0.62 O ATOM 899 CB ALA A 57 16.440 26.872 7.879 1.00 0.76 C ATOM 0 H ALA A 57 16.344 28.446 5.986 1.00 0.97 H new ATOM 0 HA ALA A 57 18.219 26.495 6.734 1.00 0.84 H new ATOM 0 HB1 ALA A 57 16.650 26.079 8.597 1.00 0.76 H new ATOM 0 HB2 ALA A 57 16.800 27.823 8.272 1.00 0.76 H new ATOM 0 HB3 ALA A 57 15.365 26.933 7.711 1.00 0.76 H new ATOM 905 N TRP A 58 15.487 25.253 5.340 1.00 0.42 N ATOM 906 CA TRP A 58 14.974 23.979 4.772 1.00 0.25 C ATOM 907 C TRP A 58 15.817 23.802 3.495 1.00 0.34 C ATOM 908 O TRP A 58 16.299 22.716 3.264 1.00 0.30 O ATOM 909 CB TRP A 58 13.531 24.173 4.511 1.00 0.33 C ATOM 910 CG TRP A 58 12.961 23.019 3.665 1.00 0.31 C ATOM 911 CD1 TRP A 58 13.507 21.783 3.355 1.00 0.21 C ATOM 912 CD2 TRP A 58 11.767 23.139 3.070 1.00 0.39 C ATOM 913 NE1 TRP A 58 12.561 21.269 2.577 1.00 0.23 N ATOM 914 CE2 TRP A 58 11.485 21.998 2.343 1.00 0.33 C ATOM 915 CE3 TRP A 58 10.851 24.190 3.115 1.00 0.53 C ATOM 916 CZ2 TRP A 58 10.283 21.902 1.639 1.00 0.41 C ATOM 917 CZ3 TRP A 58 9.660 24.096 2.423 1.00 0.59 C ATOM 918 CH2 TRP A 58 9.372 22.961 1.681 1.00 0.53 C ATOM 0 H TRP A 58 14.909 26.078 5.183 1.00 0.42 H new ATOM 0 HA TRP A 58 15.058 23.094 5.403 1.00 0.25 H new ATOM 0 HB2 TRP A 58 12.992 24.235 5.457 1.00 0.33 H new ATOM 0 HB3 TRP A 58 13.376 25.119 3.993 1.00 0.33 H new ATOM 0 HD1 TRP A 58 14.449 21.353 3.663 1.00 0.21 H new ATOM 0 HE1 TRP A 58 12.663 20.338 2.172 1.00 0.23 H new ATOM 0 HE3 TRP A 58 11.073 25.076 3.691 1.00 0.53 H new ATOM 0 HZ2 TRP A 58 10.059 21.015 1.066 1.00 0.41 H new ATOM 0 HZ3 TRP A 58 8.950 24.909 2.460 1.00 0.59 H new ATOM 0 HH2 TRP A 58 8.443 22.895 1.135 1.00 0.53 H new ATOM 929 N ASN A 59 16.006 24.831 2.710 1.00 0.46 N ATOM 930 CA ASN A 59 16.829 24.739 1.453 1.00 0.54 C ATOM 931 C ASN A 59 18.142 23.963 1.738 1.00 0.54 C ATOM 932 O ASN A 59 18.526 23.092 0.992 1.00 0.51 O ATOM 933 CB ASN A 59 17.053 26.222 1.001 1.00 0.74 C ATOM 934 CG ASN A 59 17.986 26.403 -0.169 1.00 1.41 C ATOM 935 OD1 ASN A 59 18.198 25.517 -0.968 1.00 1.19 O ATOM 936 ND2 ASN A 59 18.568 27.559 -0.315 1.00 2.47 N ATOM 0 H ASN A 59 15.617 25.757 2.887 1.00 0.46 H new ATOM 0 HA ASN A 59 16.343 24.182 0.652 1.00 0.54 H new ATOM 0 HB2 ASN A 59 16.087 26.657 0.745 1.00 0.74 H new ATOM 0 HB3 ASN A 59 17.443 26.788 1.847 1.00 0.74 H new ATOM 0 HD21 ASN A 59 19.200 27.716 -1.100 1.00 2.47 H new ATOM 0 HD22 ASN A 59 18.392 28.307 0.356 1.00 2.47 H new ATOM 943 N GLU A 60 18.763 24.320 2.820 1.00 0.58 N ATOM 944 CA GLU A 60 20.032 23.722 3.327 1.00 0.65 C ATOM 945 C GLU A 60 19.987 22.156 3.327 1.00 0.50 C ATOM 946 O GLU A 60 20.992 21.481 3.225 1.00 0.52 O ATOM 947 CB GLU A 60 20.204 24.337 4.723 1.00 0.82 C ATOM 948 CG GLU A 60 21.425 23.775 5.463 1.00 0.95 C ATOM 949 CD GLU A 60 21.619 24.521 6.789 1.00 1.21 C ATOM 950 OE1 GLU A 60 20.826 24.283 7.687 1.00 2.12 O ATOM 951 OE2 GLU A 60 22.559 25.296 6.807 1.00 2.88 O ATOM 0 H GLU A 60 18.412 25.064 3.423 1.00 0.58 H new ATOM 0 HA GLU A 60 20.889 23.943 2.691 1.00 0.65 H new ATOM 0 HB2 GLU A 60 20.304 25.418 4.631 1.00 0.82 H new ATOM 0 HB3 GLU A 60 19.307 24.149 5.313 1.00 0.82 H new ATOM 0 HG2 GLU A 60 21.289 22.710 5.651 1.00 0.95 H new ATOM 0 HG3 GLU A 60 22.316 23.878 4.844 1.00 0.95 H new ATOM 958 N LEU A 61 18.783 21.661 3.445 1.00 0.41 N ATOM 959 CA LEU A 61 18.447 20.206 3.478 1.00 0.34 C ATOM 960 C LEU A 61 17.811 19.699 2.179 1.00 0.26 C ATOM 961 O LEU A 61 17.545 18.522 2.045 1.00 0.46 O ATOM 962 CB LEU A 61 17.471 19.950 4.635 1.00 0.48 C ATOM 963 CG LEU A 61 17.992 20.463 5.986 1.00 0.58 C ATOM 964 CD1 LEU A 61 16.921 20.082 7.012 1.00 0.76 C ATOM 965 CD2 LEU A 61 19.308 19.747 6.375 1.00 0.68 C ATOM 0 H LEU A 61 17.959 22.256 3.526 1.00 0.41 H new ATOM 0 HA LEU A 61 19.384 19.665 3.610 1.00 0.34 H new ATOM 0 HB2 LEU A 61 16.519 20.432 4.413 1.00 0.48 H new ATOM 0 HB3 LEU A 61 17.277 18.880 4.709 1.00 0.48 H new ATOM 0 HG LEU A 61 18.185 21.535 5.943 1.00 0.58 H new ATOM 0 HD11 LEU A 61 17.229 20.419 8.002 1.00 0.76 H new ATOM 0 HD12 LEU A 61 15.976 20.556 6.745 1.00 0.76 H new ATOM 0 HD13 LEU A 61 16.794 18.999 7.021 1.00 0.76 H new ATOM 0 HD21 LEU A 61 19.658 20.126 7.335 1.00 0.68 H new ATOM 0 HD22 LEU A 61 19.130 18.674 6.452 1.00 0.68 H new ATOM 0 HD23 LEU A 61 20.064 19.936 5.613 1.00 0.68 H new ATOM 977 N LYS A 62 17.584 20.583 1.254 1.00 0.13 N ATOM 978 CA LYS A 62 16.964 20.269 -0.054 1.00 0.25 C ATOM 979 C LYS A 62 16.947 18.866 -0.573 1.00 0.54 C ATOM 980 O LYS A 62 15.879 18.421 -0.887 1.00 0.80 O ATOM 981 CB LYS A 62 17.577 21.240 -1.159 1.00 0.38 C ATOM 982 CG LYS A 62 16.866 20.923 -2.524 1.00 0.76 C ATOM 983 CD LYS A 62 17.508 21.571 -3.775 1.00 1.01 C ATOM 984 CE LYS A 62 16.666 21.107 -4.996 1.00 2.64 C ATOM 985 NZ LYS A 62 16.928 19.646 -5.203 1.00 3.46 N ATOM 0 H LYS A 62 17.819 21.569 1.363 1.00 0.13 H new ATOM 0 HA LYS A 62 15.906 20.425 0.156 1.00 0.25 H new ATOM 0 HB2 LYS A 62 17.422 22.282 -0.880 1.00 0.38 H new ATOM 0 HB3 LYS A 62 18.653 21.090 -1.245 1.00 0.38 H new ATOM 0 HG2 LYS A 62 16.851 19.842 -2.663 1.00 0.76 H new ATOM 0 HG3 LYS A 62 15.829 21.251 -2.458 1.00 0.76 H new ATOM 0 HD2 LYS A 62 17.505 22.658 -3.693 1.00 1.01 H new ATOM 0 HD3 LYS A 62 18.548 21.262 -3.881 1.00 1.01 H new ATOM 0 HE2 LYS A 62 15.605 21.284 -4.818 1.00 2.64 H new ATOM 0 HE3 LYS A 62 16.939 21.674 -5.886 1.00 2.64 H new ATOM 0 HZ1 LYS A 62 16.815 19.412 -6.210 1.00 3.46 H new ATOM 0 HZ2 LYS A 62 17.898 19.421 -4.902 1.00 3.46 H new ATOM 0 HZ3 LYS A 62 16.253 19.089 -4.640 1.00 3.46 H new ATOM 999 N GLY A 63 18.006 18.139 -0.649 1.00 0.54 N ATOM 1000 CA GLY A 63 17.919 16.726 -1.211 1.00 0.85 C ATOM 1001 C GLY A 63 18.154 15.633 -0.161 1.00 0.80 C ATOM 1002 O GLY A 63 18.473 14.496 -0.452 1.00 0.97 O ATOM 0 H GLY A 63 18.937 18.434 -0.355 1.00 0.54 H new ATOM 0 HA2 GLY A 63 16.936 16.582 -1.660 1.00 0.85 H new ATOM 0 HA3 GLY A 63 18.653 16.615 -2.009 1.00 0.85 H new ATOM 1006 N THR A 64 17.982 16.028 1.061 1.00 0.72 N ATOM 1007 CA THR A 64 18.164 15.068 2.187 1.00 0.96 C ATOM 1008 C THR A 64 16.940 14.187 2.222 1.00 1.51 C ATOM 1009 O THR A 64 15.884 14.601 2.647 1.00 2.89 O ATOM 1010 CB THR A 64 18.262 15.760 3.542 1.00 1.24 C ATOM 1011 OG1 THR A 64 19.598 16.212 3.599 1.00 1.13 O ATOM 1012 CG2 THR A 64 18.305 14.770 4.679 1.00 1.39 C ATOM 0 H THR A 64 17.723 16.975 1.336 1.00 0.72 H new ATOM 0 HA THR A 64 19.091 14.520 2.020 1.00 0.96 H new ATOM 0 HB THR A 64 17.441 16.472 3.627 1.00 1.24 H new ATOM 0 HG1 THR A 64 19.750 16.677 4.448 1.00 1.13 H new ATOM 0 HG21 THR A 64 18.375 15.306 5.626 1.00 1.39 H new ATOM 0 HG22 THR A 64 17.398 14.166 4.670 1.00 1.39 H new ATOM 0 HG23 THR A 64 19.174 14.122 4.564 1.00 1.39 H new ATOM 1020 N SER A 65 17.149 13.003 1.737 1.00 0.48 N ATOM 1021 CA SER A 65 16.086 11.935 1.670 1.00 0.67 C ATOM 1022 C SER A 65 14.927 12.123 2.665 1.00 0.55 C ATOM 1023 O SER A 65 15.152 12.236 3.864 1.00 0.74 O ATOM 1024 CB SER A 65 16.792 10.592 1.907 1.00 0.73 C ATOM 1025 OG SER A 65 15.811 9.665 2.370 1.00 3.05 O ATOM 0 H SER A 65 18.051 12.706 1.364 1.00 0.48 H new ATOM 0 HA SER A 65 15.609 11.986 0.691 1.00 0.67 H new ATOM 0 HB2 SER A 65 17.253 10.234 0.986 1.00 0.73 H new ATOM 0 HB3 SER A 65 17.590 10.703 2.641 1.00 0.73 H new ATOM 0 HG SER A 65 16.135 9.225 3.183 1.00 3.05 H new ATOM 1031 N LYS A 66 13.714 12.129 2.153 1.00 0.33 N ATOM 1032 CA LYS A 66 12.515 12.308 3.023 1.00 0.26 C ATOM 1033 C LYS A 66 12.677 11.539 4.332 1.00 0.23 C ATOM 1034 O LYS A 66 12.390 12.034 5.397 1.00 0.27 O ATOM 1035 CB LYS A 66 11.279 11.806 2.238 1.00 0.48 C ATOM 1036 CG LYS A 66 11.457 10.316 1.833 1.00 0.70 C ATOM 1037 CD LYS A 66 10.274 9.862 0.937 1.00 1.22 C ATOM 1038 CE LYS A 66 10.389 8.343 0.671 1.00 3.38 C ATOM 1039 NZ LYS A 66 10.290 7.661 1.997 1.00 4.32 N ATOM 0 H LYS A 66 13.508 12.016 1.160 1.00 0.33 H new ATOM 0 HA LYS A 66 12.392 13.360 3.281 1.00 0.26 H new ATOM 0 HB2 LYS A 66 10.383 11.918 2.849 1.00 0.48 H new ATOM 0 HB3 LYS A 66 11.135 12.416 1.346 1.00 0.48 H new ATOM 0 HG2 LYS A 66 12.398 10.186 1.299 1.00 0.70 H new ATOM 0 HG3 LYS A 66 11.508 9.692 2.725 1.00 0.70 H new ATOM 0 HD2 LYS A 66 9.326 10.087 1.425 1.00 1.22 H new ATOM 0 HD3 LYS A 66 10.285 10.410 -0.005 1.00 1.22 H new ATOM 0 HE2 LYS A 66 9.595 8.007 0.004 1.00 3.38 H new ATOM 0 HE3 LYS A 66 11.336 8.107 0.185 1.00 3.38 H new ATOM 0 HZ1 LYS A 66 9.633 6.858 1.926 1.00 4.32 H new ATOM 0 HZ2 LYS A 66 11.229 7.316 2.281 1.00 4.32 H new ATOM 0 HZ3 LYS A 66 9.938 8.334 2.708 1.00 4.32 H new ATOM 1053 N GLU A 67 13.172 10.337 4.225 1.00 0.34 N ATOM 1054 CA GLU A 67 13.334 9.545 5.449 1.00 0.56 C ATOM 1055 C GLU A 67 14.516 9.906 6.321 1.00 0.35 C ATOM 1056 O GLU A 67 14.348 9.819 7.514 1.00 0.48 O ATOM 1057 CB GLU A 67 13.325 8.084 4.990 1.00 1.06 C ATOM 1058 CG GLU A 67 11.796 7.742 5.035 1.00 2.30 C ATOM 1059 CD GLU A 67 11.473 6.282 4.874 1.00 3.11 C ATOM 1060 OE1 GLU A 67 11.694 5.602 5.866 1.00 4.42 O ATOM 1061 OE2 GLU A 67 11.030 5.989 3.774 1.00 3.47 O ATOM 0 H GLU A 67 13.462 9.887 3.357 1.00 0.34 H new ATOM 0 HA GLU A 67 12.515 9.761 6.135 1.00 0.56 H new ATOM 0 HB2 GLU A 67 13.741 7.968 3.989 1.00 1.06 H new ATOM 0 HB3 GLU A 67 13.907 7.444 5.653 1.00 1.06 H new ATOM 0 HG2 GLU A 67 11.388 8.088 5.985 1.00 2.30 H new ATOM 0 HG3 GLU A 67 11.289 8.301 4.248 1.00 2.30 H new ATOM 1068 N ASP A 68 15.652 10.287 5.814 1.00 0.25 N ATOM 1069 CA ASP A 68 16.764 10.644 6.738 1.00 0.49 C ATOM 1070 C ASP A 68 16.200 11.757 7.637 1.00 0.60 C ATOM 1071 O ASP A 68 16.412 11.820 8.835 1.00 0.74 O ATOM 1072 CB ASP A 68 17.850 11.003 5.782 1.00 0.43 C ATOM 1073 CG ASP A 68 18.336 9.666 5.231 1.00 0.84 C ATOM 1074 OD1 ASP A 68 17.599 9.127 4.417 1.00 0.88 O ATOM 1075 OD2 ASP A 68 19.398 9.257 5.652 1.00 1.57 O ATOM 0 H ASP A 68 15.859 10.367 4.818 1.00 0.25 H new ATOM 0 HA ASP A 68 17.158 9.901 7.432 1.00 0.49 H new ATOM 0 HB2 ASP A 68 17.480 11.649 4.986 1.00 0.43 H new ATOM 0 HB3 ASP A 68 18.655 11.542 6.281 1.00 0.43 H new ATOM 1080 N ALA A 69 15.472 12.595 6.957 1.00 0.53 N ATOM 1081 CA ALA A 69 14.798 13.744 7.619 1.00 0.58 C ATOM 1082 C ALA A 69 13.736 13.103 8.565 1.00 0.51 C ATOM 1083 O ALA A 69 13.788 13.402 9.736 1.00 0.65 O ATOM 1084 CB ALA A 69 14.197 14.596 6.518 1.00 0.65 C ATOM 0 H ALA A 69 15.313 12.531 5.952 1.00 0.53 H new ATOM 0 HA ALA A 69 15.448 14.391 8.207 1.00 0.58 H new ATOM 0 HB1 ALA A 69 13.690 15.455 6.958 1.00 0.65 H new ATOM 0 HB2 ALA A 69 14.988 14.943 5.854 1.00 0.65 H new ATOM 0 HB3 ALA A 69 13.480 14.003 5.950 1.00 0.65 H new ATOM 1090 N MET A 70 12.817 12.276 8.102 1.00 0.30 N ATOM 1091 CA MET A 70 11.819 11.643 9.000 1.00 0.27 C ATOM 1092 C MET A 70 12.513 11.116 10.267 1.00 0.27 C ATOM 1093 O MET A 70 12.223 11.510 11.369 1.00 0.29 O ATOM 1094 CB MET A 70 11.194 10.488 8.271 1.00 0.37 C ATOM 1095 CG MET A 70 10.199 10.908 7.190 1.00 0.44 C ATOM 1096 SD MET A 70 9.368 9.586 6.275 1.00 0.74 S ATOM 1097 CE MET A 70 7.890 10.550 5.872 1.00 0.71 C ATOM 0 H MET A 70 12.726 12.017 7.120 1.00 0.30 H new ATOM 0 HA MET A 70 11.063 12.375 9.285 1.00 0.27 H new ATOM 0 HB2 MET A 70 11.982 9.889 7.814 1.00 0.37 H new ATOM 0 HB3 MET A 70 10.685 9.848 8.992 1.00 0.37 H new ATOM 0 HG2 MET A 70 9.434 11.528 7.657 1.00 0.44 H new ATOM 0 HG3 MET A 70 10.725 11.537 6.472 1.00 0.44 H new ATOM 0 HE1 MET A 70 7.210 9.941 5.277 1.00 0.71 H new ATOM 0 HE2 MET A 70 7.393 10.855 6.793 1.00 0.71 H new ATOM 0 HE3 MET A 70 8.177 11.435 5.304 1.00 0.71 H new ATOM 1107 N LYS A 71 13.421 10.218 10.021 1.00 0.26 N ATOM 1108 CA LYS A 71 14.244 9.536 11.054 1.00 0.31 C ATOM 1109 C LYS A 71 14.878 10.566 12.001 1.00 0.42 C ATOM 1110 O LYS A 71 14.513 10.655 13.155 1.00 0.42 O ATOM 1111 CB LYS A 71 15.315 8.703 10.301 1.00 0.37 C ATOM 1112 CG LYS A 71 14.634 7.682 9.364 1.00 0.43 C ATOM 1113 CD LYS A 71 14.206 6.421 10.154 1.00 2.16 C ATOM 1114 CE LYS A 71 13.108 5.633 9.402 1.00 4.63 C ATOM 1115 NZ LYS A 71 13.514 5.418 7.968 1.00 5.66 N ATOM 0 H LYS A 71 13.639 9.909 9.074 1.00 0.26 H new ATOM 0 HA LYS A 71 13.636 8.880 11.678 1.00 0.31 H new ATOM 0 HB2 LYS A 71 15.960 9.364 9.723 1.00 0.37 H new ATOM 0 HB3 LYS A 71 15.951 8.183 11.017 1.00 0.37 H new ATOM 0 HG2 LYS A 71 13.762 8.137 8.894 1.00 0.43 H new ATOM 0 HG3 LYS A 71 15.318 7.402 8.563 1.00 0.43 H new ATOM 0 HD2 LYS A 71 15.072 5.779 10.315 1.00 2.16 H new ATOM 0 HD3 LYS A 71 13.838 6.713 11.138 1.00 2.16 H new ATOM 0 HE2 LYS A 71 12.941 4.672 9.889 1.00 4.63 H new ATOM 0 HE3 LYS A 71 12.165 6.179 9.443 1.00 4.63 H new ATOM 0 HZ1 LYS A 71 12.891 5.970 7.344 1.00 5.66 H new ATOM 0 HZ2 LYS A 71 14.498 5.727 7.836 1.00 5.66 H new ATOM 0 HZ3 LYS A 71 13.434 4.408 7.732 1.00 5.66 H new ATOM 1129 N ALA A 72 15.795 11.341 11.483 1.00 0.50 N ATOM 1130 CA ALA A 72 16.487 12.376 12.294 1.00 0.61 C ATOM 1131 C ALA A 72 15.487 13.224 13.093 1.00 0.57 C ATOM 1132 O ALA A 72 15.682 13.527 14.253 1.00 0.57 O ATOM 1133 CB ALA A 72 17.298 13.203 11.294 1.00 0.78 C ATOM 0 H ALA A 72 16.097 11.296 10.510 1.00 0.50 H new ATOM 0 HA ALA A 72 17.139 11.936 13.048 1.00 0.61 H new ATOM 0 HB1 ALA A 72 17.837 13.989 11.824 1.00 0.78 H new ATOM 0 HB2 ALA A 72 18.010 12.557 10.781 1.00 0.78 H new ATOM 0 HB3 ALA A 72 16.625 13.653 10.564 1.00 0.78 H new ATOM 1139 N TYR A 73 14.422 13.560 12.422 1.00 0.59 N ATOM 1140 CA TYR A 73 13.339 14.389 13.022 1.00 0.56 C ATOM 1141 C TYR A 73 12.636 13.645 14.167 1.00 0.34 C ATOM 1142 O TYR A 73 12.418 14.173 15.234 1.00 0.22 O ATOM 1143 CB TYR A 73 12.405 14.717 11.860 1.00 0.60 C ATOM 1144 CG TYR A 73 11.222 15.557 12.291 1.00 0.59 C ATOM 1145 CD1 TYR A 73 10.139 15.025 12.964 1.00 2.30 C ATOM 1146 CD2 TYR A 73 11.246 16.889 11.989 1.00 2.59 C ATOM 1147 CE1 TYR A 73 9.088 15.845 13.326 1.00 2.31 C ATOM 1148 CE2 TYR A 73 10.210 17.691 12.349 1.00 2.57 C ATOM 1149 CZ TYR A 73 9.125 17.187 13.018 1.00 0.59 C ATOM 1150 OH TYR A 73 8.105 18.045 13.373 1.00 0.60 O ATOM 0 H TYR A 73 14.252 13.286 11.454 1.00 0.59 H new ATOM 0 HA TYR A 73 13.717 15.301 13.484 1.00 0.56 H new ATOM 0 HB2 TYR A 73 12.962 15.248 11.088 1.00 0.60 H new ATOM 0 HB3 TYR A 73 12.046 13.790 11.413 1.00 0.60 H new ATOM 0 HD1 TYR A 73 10.114 13.973 13.206 1.00 2.30 H new ATOM 0 HD2 TYR A 73 12.092 17.306 11.462 1.00 2.59 H new ATOM 0 HE1 TYR A 73 8.238 15.434 13.850 1.00 2.31 H new ATOM 0 HE2 TYR A 73 10.242 18.742 12.104 1.00 2.57 H new ATOM 0 HH TYR A 73 7.621 18.328 12.569 1.00 0.60 H new ATOM 1160 N ILE A 74 12.281 12.429 13.898 1.00 0.31 N ATOM 1161 CA ILE A 74 11.586 11.539 14.879 1.00 0.17 C ATOM 1162 C ILE A 74 12.426 11.567 16.133 1.00 0.17 C ATOM 1163 O ILE A 74 11.956 11.943 17.183 1.00 0.18 O ATOM 1164 CB ILE A 74 11.504 10.107 14.287 1.00 0.22 C ATOM 1165 CG1 ILE A 74 10.415 10.086 13.194 1.00 0.34 C ATOM 1166 CG2 ILE A 74 11.101 9.140 15.425 1.00 0.12 C ATOM 1167 CD1 ILE A 74 10.612 8.876 12.257 1.00 0.51 C ATOM 0 H ILE A 74 12.450 11.987 12.994 1.00 0.31 H new ATOM 0 HA ILE A 74 10.569 11.864 15.096 1.00 0.17 H new ATOM 0 HB ILE A 74 12.461 9.809 13.859 1.00 0.22 H new ATOM 0 HG12 ILE A 74 9.429 10.039 13.656 1.00 0.34 H new ATOM 0 HG13 ILE A 74 10.453 11.010 12.617 1.00 0.34 H new ATOM 0 HG21 ILE A 74 11.036 8.125 15.034 1.00 0.12 H new ATOM 0 HG22 ILE A 74 11.850 9.177 16.216 1.00 0.12 H new ATOM 0 HG23 ILE A 74 10.132 9.436 15.828 1.00 0.12 H new ATOM 0 HD11 ILE A 74 9.835 8.877 11.493 1.00 0.51 H new ATOM 0 HD12 ILE A 74 11.590 8.940 11.780 1.00 0.51 H new ATOM 0 HD13 ILE A 74 10.550 7.954 12.835 1.00 0.51 H new ATOM 1179 N ASP A 75 13.655 11.190 15.946 1.00 0.26 N ATOM 1180 CA ASP A 75 14.627 11.151 17.051 1.00 0.34 C ATOM 1181 C ASP A 75 14.645 12.548 17.711 1.00 0.31 C ATOM 1182 O ASP A 75 14.480 12.723 18.903 1.00 0.25 O ATOM 1183 CB ASP A 75 15.904 10.713 16.341 1.00 0.46 C ATOM 1184 CG ASP A 75 15.813 9.206 16.050 1.00 0.66 C ATOM 1185 OD1 ASP A 75 14.957 8.820 15.268 1.00 1.90 O ATOM 1186 OD2 ASP A 75 16.632 8.533 16.644 1.00 2.41 O ATOM 0 H ASP A 75 14.031 10.900 15.043 1.00 0.26 H new ATOM 0 HA ASP A 75 14.428 10.474 17.882 1.00 0.34 H new ATOM 0 HB2 ASP A 75 16.031 11.270 15.413 1.00 0.46 H new ATOM 0 HB3 ASP A 75 16.774 10.926 16.962 1.00 0.46 H new ATOM 1191 N LYS A 76 14.836 13.528 16.873 1.00 0.36 N ATOM 1192 CA LYS A 76 14.880 14.950 17.345 1.00 0.37 C ATOM 1193 C LYS A 76 13.719 15.241 18.317 1.00 0.35 C ATOM 1194 O LYS A 76 13.911 15.746 19.404 1.00 0.30 O ATOM 1195 CB LYS A 76 14.800 15.846 16.114 1.00 0.59 C ATOM 1196 CG LYS A 76 15.035 17.336 16.456 1.00 1.67 C ATOM 1197 CD LYS A 76 16.413 17.647 17.095 1.00 0.52 C ATOM 1198 CE LYS A 76 17.625 17.029 16.418 1.00 2.09 C ATOM 1199 NZ LYS A 76 18.831 17.582 17.128 1.00 2.46 N ATOM 0 H LYS A 76 14.966 13.408 15.868 1.00 0.36 H new ATOM 0 HA LYS A 76 15.805 15.141 17.890 1.00 0.37 H new ATOM 0 HB2 LYS A 76 15.541 15.522 15.383 1.00 0.59 H new ATOM 0 HB3 LYS A 76 13.821 15.733 15.648 1.00 0.59 H new ATOM 0 HG2 LYS A 76 14.932 17.924 15.544 1.00 1.67 H new ATOM 0 HG3 LYS A 76 14.251 17.666 17.138 1.00 1.67 H new ATOM 0 HD2 LYS A 76 16.546 18.729 17.112 1.00 0.52 H new ATOM 0 HD3 LYS A 76 16.393 17.312 18.132 1.00 0.52 H new ATOM 0 HE2 LYS A 76 17.597 15.942 16.488 1.00 2.09 H new ATOM 0 HE3 LYS A 76 17.649 17.280 15.358 1.00 2.09 H new ATOM 0 HZ1 LYS A 76 19.550 17.856 16.429 1.00 2.46 H new ATOM 0 HZ2 LYS A 76 18.554 18.416 17.684 1.00 2.46 H new ATOM 0 HZ3 LYS A 76 19.223 16.857 17.762 1.00 2.46 H new ATOM 1213 N VAL A 77 12.527 14.911 17.902 1.00 0.47 N ATOM 1214 CA VAL A 77 11.341 15.149 18.772 1.00 0.56 C ATOM 1215 C VAL A 77 11.445 14.185 19.954 1.00 0.61 C ATOM 1216 O VAL A 77 11.344 14.655 21.062 1.00 0.71 O ATOM 1217 CB VAL A 77 10.067 14.907 17.949 1.00 0.54 C ATOM 1218 CG1 VAL A 77 8.848 15.054 18.888 1.00 0.56 C ATOM 1219 CG2 VAL A 77 9.955 15.986 16.850 1.00 0.53 C ATOM 0 H VAL A 77 12.323 14.486 16.997 1.00 0.47 H new ATOM 0 HA VAL A 77 11.304 16.172 19.146 1.00 0.56 H new ATOM 0 HB VAL A 77 10.100 13.915 17.499 1.00 0.54 H new ATOM 0 HG11 VAL A 77 7.931 14.886 18.323 1.00 0.56 H new ATOM 0 HG12 VAL A 77 8.918 14.322 19.692 1.00 0.56 H new ATOM 0 HG13 VAL A 77 8.834 16.058 19.312 1.00 0.56 H new ATOM 0 HG21 VAL A 77 9.051 15.816 16.264 1.00 0.53 H new ATOM 0 HG22 VAL A 77 9.908 16.972 17.312 1.00 0.53 H new ATOM 0 HG23 VAL A 77 10.826 15.932 16.197 1.00 0.53 H new ATOM 1229 N GLU A 78 11.618 12.906 19.735 1.00 0.63 N ATOM 1230 CA GLU A 78 11.750 11.902 20.852 1.00 0.75 C ATOM 1231 C GLU A 78 12.553 12.568 21.988 1.00 0.78 C ATOM 1232 O GLU A 78 12.150 12.643 23.137 1.00 0.79 O ATOM 1233 CB GLU A 78 12.500 10.664 20.305 1.00 0.63 C ATOM 1234 CG GLU A 78 11.586 9.801 19.357 1.00 2.58 C ATOM 1235 CD GLU A 78 10.776 8.720 20.097 1.00 2.17 C ATOM 1236 OE1 GLU A 78 10.811 8.700 21.322 1.00 2.46 O ATOM 1237 OE2 GLU A 78 10.149 7.947 19.397 1.00 2.08 O ATOM 0 H GLU A 78 11.676 12.498 18.802 1.00 0.63 H new ATOM 0 HA GLU A 78 10.778 11.587 21.231 1.00 0.75 H new ATOM 0 HB2 GLU A 78 13.387 10.987 19.760 1.00 0.63 H new ATOM 0 HB3 GLU A 78 12.844 10.050 21.137 1.00 0.63 H new ATOM 0 HG2 GLU A 78 10.898 10.462 18.830 1.00 2.58 H new ATOM 0 HG3 GLU A 78 12.210 9.322 18.602 1.00 2.58 H new ATOM 1244 N GLU A 79 13.685 13.083 21.590 1.00 0.75 N ATOM 1245 CA GLU A 79 14.589 13.763 22.553 1.00 0.75 C ATOM 1246 C GLU A 79 13.942 15.092 22.990 1.00 0.48 C ATOM 1247 O GLU A 79 13.748 15.245 24.178 1.00 0.39 O ATOM 1248 CB GLU A 79 15.941 13.907 21.817 1.00 1.03 C ATOM 1249 CG GLU A 79 16.545 12.464 21.557 1.00 1.44 C ATOM 1250 CD GLU A 79 16.831 11.719 22.881 1.00 3.96 C ATOM 1251 OE1 GLU A 79 15.872 11.202 23.449 1.00 5.22 O ATOM 1252 OE2 GLU A 79 17.999 11.723 23.247 1.00 5.07 O ATOM 0 H GLU A 79 14.023 13.060 20.628 1.00 0.75 H new ATOM 0 HA GLU A 79 14.758 13.215 23.480 1.00 0.75 H new ATOM 0 HB2 GLU A 79 15.801 14.432 20.872 1.00 1.03 H new ATOM 0 HB3 GLU A 79 16.632 14.502 22.413 1.00 1.03 H new ATOM 0 HG2 GLU A 79 15.849 11.881 20.954 1.00 1.44 H new ATOM 0 HG3 GLU A 79 17.467 12.553 20.983 1.00 1.44 H new ATOM 1259 N LEU A 80 13.602 16.040 22.146 1.00 0.39 N ATOM 1260 CA LEU A 80 12.954 17.301 22.694 1.00 0.30 C ATOM 1261 C LEU A 80 11.815 16.982 23.651 1.00 0.24 C ATOM 1262 O LEU A 80 11.561 17.710 24.586 1.00 0.48 O ATOM 1263 CB LEU A 80 12.327 18.187 21.582 1.00 0.36 C ATOM 1264 CG LEU A 80 13.327 19.071 20.852 1.00 0.78 C ATOM 1265 CD1 LEU A 80 12.512 19.926 19.870 1.00 1.00 C ATOM 1266 CD2 LEU A 80 13.979 20.065 21.823 1.00 0.98 C ATOM 0 H LEU A 80 13.734 16.010 21.135 1.00 0.39 H new ATOM 0 HA LEU A 80 13.767 17.827 23.195 1.00 0.30 H new ATOM 0 HB2 LEU A 80 11.831 17.543 20.856 1.00 0.36 H new ATOM 0 HB3 LEU A 80 11.558 18.818 22.026 1.00 0.36 H new ATOM 0 HG LEU A 80 14.088 18.450 20.380 1.00 0.78 H new ATOM 0 HD11 LEU A 80 13.183 20.583 19.316 1.00 1.00 H new ATOM 0 HD12 LEU A 80 11.984 19.276 19.173 1.00 1.00 H new ATOM 0 HD13 LEU A 80 11.790 20.527 20.423 1.00 1.00 H new ATOM 0 HD21 LEU A 80 14.691 20.688 21.282 1.00 0.98 H new ATOM 0 HD22 LEU A 80 13.210 20.696 22.269 1.00 0.98 H new ATOM 0 HD23 LEU A 80 14.500 19.518 22.609 1.00 0.98 H new ATOM 1278 N LYS A 81 11.172 15.887 23.420 1.00 0.32 N ATOM 1279 CA LYS A 81 10.029 15.480 24.279 1.00 0.34 C ATOM 1280 C LYS A 81 10.592 14.990 25.599 1.00 0.50 C ATOM 1281 O LYS A 81 10.059 15.375 26.612 1.00 0.59 O ATOM 1282 CB LYS A 81 9.257 14.394 23.547 1.00 0.36 C ATOM 1283 CG LYS A 81 8.015 13.987 24.381 1.00 0.69 C ATOM 1284 CD LYS A 81 7.227 12.830 23.692 1.00 0.44 C ATOM 1285 CE LYS A 81 6.758 13.168 22.265 1.00 1.70 C ATOM 1286 NZ LYS A 81 5.838 14.341 22.382 1.00 2.87 N ATOM 0 H LYS A 81 11.388 15.241 22.661 1.00 0.32 H new ATOM 0 HA LYS A 81 9.346 16.305 24.483 1.00 0.34 H new ATOM 0 HB2 LYS A 81 8.947 14.753 22.566 1.00 0.36 H new ATOM 0 HB3 LYS A 81 9.897 13.527 23.382 1.00 0.36 H new ATOM 0 HG2 LYS A 81 8.329 13.674 25.377 1.00 0.69 H new ATOM 0 HG3 LYS A 81 7.361 14.850 24.509 1.00 0.69 H new ATOM 0 HD2 LYS A 81 7.858 11.942 23.657 1.00 0.44 H new ATOM 0 HD3 LYS A 81 6.358 12.580 24.301 1.00 0.44 H new ATOM 0 HE2 LYS A 81 7.607 13.405 21.624 1.00 1.70 H new ATOM 0 HE3 LYS A 81 6.246 12.318 21.814 1.00 1.70 H new ATOM 0 HZ1 LYS A 81 5.966 14.966 21.561 1.00 2.87 H new ATOM 0 HZ2 LYS A 81 4.853 14.008 22.413 1.00 2.87 H new ATOM 0 HZ3 LYS A 81 6.054 14.866 23.253 1.00 2.87 H new ATOM 1300 N LYS A 82 11.616 14.189 25.589 1.00 0.59 N ATOM 1301 CA LYS A 82 12.158 13.729 26.911 1.00 0.83 C ATOM 1302 C LYS A 82 12.740 14.967 27.654 1.00 0.76 C ATOM 1303 O LYS A 82 12.610 15.133 28.850 1.00 0.72 O ATOM 1304 CB LYS A 82 13.255 12.677 26.652 1.00 1.12 C ATOM 1305 CG LYS A 82 12.616 11.382 26.110 1.00 1.27 C ATOM 1306 CD LYS A 82 13.718 10.282 26.068 1.00 1.63 C ATOM 1307 CE LYS A 82 13.184 8.962 25.514 1.00 1.41 C ATOM 1308 NZ LYS A 82 12.131 8.450 26.457 1.00 2.21 N ATOM 0 H LYS A 82 12.093 13.838 24.759 1.00 0.59 H new ATOM 0 HA LYS A 82 11.379 13.278 27.526 1.00 0.83 H new ATOM 0 HB2 LYS A 82 13.981 13.063 25.936 1.00 1.12 H new ATOM 0 HB3 LYS A 82 13.797 12.468 27.574 1.00 1.12 H new ATOM 0 HG2 LYS A 82 11.789 11.069 26.748 1.00 1.27 H new ATOM 0 HG3 LYS A 82 12.205 11.548 25.114 1.00 1.27 H new ATOM 0 HD2 LYS A 82 14.550 10.624 25.452 1.00 1.63 H new ATOM 0 HD3 LYS A 82 14.110 10.122 27.072 1.00 1.63 H new ATOM 0 HE2 LYS A 82 12.764 9.109 24.519 1.00 1.41 H new ATOM 0 HE3 LYS A 82 13.991 8.236 25.415 1.00 1.41 H new ATOM 0 HZ1 LYS A 82 11.935 7.450 26.249 1.00 2.21 H new ATOM 0 HZ2 LYS A 82 12.469 8.540 27.436 1.00 2.21 H new ATOM 0 HZ3 LYS A 82 11.260 9.006 26.339 1.00 2.21 H new ATOM 1322 N LYS A 83 13.374 15.793 26.869 1.00 0.76 N ATOM 1323 CA LYS A 83 14.031 17.064 27.333 1.00 0.76 C ATOM 1324 C LYS A 83 13.104 18.095 27.955 1.00 0.62 C ATOM 1325 O LYS A 83 13.338 18.606 29.029 1.00 0.61 O ATOM 1326 CB LYS A 83 14.724 17.691 26.136 1.00 0.71 C ATOM 1327 CG LYS A 83 15.712 18.798 26.585 1.00 1.00 C ATOM 1328 CD LYS A 83 16.434 19.371 25.333 1.00 1.22 C ATOM 1329 CE LYS A 83 17.239 18.286 24.601 1.00 3.30 C ATOM 1330 NZ LYS A 83 18.251 17.742 25.567 1.00 5.12 N ATOM 0 H LYS A 83 13.471 15.633 25.866 1.00 0.76 H new ATOM 0 HA LYS A 83 14.716 16.778 28.131 1.00 0.76 H new ATOM 0 HB2 LYS A 83 15.261 16.923 25.578 1.00 0.71 H new ATOM 0 HB3 LYS A 83 13.980 18.114 25.461 1.00 0.71 H new ATOM 0 HG2 LYS A 83 15.177 19.591 27.107 1.00 1.00 H new ATOM 0 HG3 LYS A 83 16.440 18.391 27.286 1.00 1.00 H new ATOM 0 HD2 LYS A 83 15.699 19.801 24.653 1.00 1.22 H new ATOM 0 HD3 LYS A 83 17.101 20.179 25.634 1.00 1.22 H new ATOM 0 HE2 LYS A 83 16.580 17.492 24.249 1.00 3.30 H new ATOM 0 HE3 LYS A 83 17.733 18.703 23.723 1.00 3.30 H new ATOM 0 HZ1 LYS A 83 19.006 17.257 25.042 1.00 5.12 H new ATOM 0 HZ2 LYS A 83 18.660 18.523 26.118 1.00 5.12 H new ATOM 0 HZ3 LYS A 83 17.789 17.068 26.211 1.00 5.12 H new ATOM 1344 N TYR A 84 12.089 18.359 27.202 1.00 0.54 N ATOM 1345 CA TYR A 84 11.030 19.347 27.591 1.00 0.51 C ATOM 1346 C TYR A 84 9.692 18.833 28.157 1.00 1.20 C ATOM 1347 O TYR A 84 9.108 19.529 28.967 1.00 1.99 O ATOM 1348 CB TYR A 84 10.734 20.197 26.364 1.00 0.50 C ATOM 1349 CG TYR A 84 11.845 21.210 26.160 1.00 0.77 C ATOM 1350 CD1 TYR A 84 12.079 22.155 27.133 1.00 3.10 C ATOM 1351 CD2 TYR A 84 12.606 21.208 25.016 1.00 1.85 C ATOM 1352 CE1 TYR A 84 13.064 23.090 26.963 1.00 3.77 C ATOM 1353 CE2 TYR A 84 13.598 22.153 24.849 1.00 1.65 C ATOM 1354 CZ TYR A 84 13.824 23.097 25.824 1.00 2.15 C ATOM 1355 OH TYR A 84 14.787 24.064 25.672 1.00 2.87 O ATOM 0 H TYR A 84 11.933 17.920 26.295 1.00 0.54 H new ATOM 0 HA TYR A 84 11.464 19.875 28.440 1.00 0.51 H new ATOM 0 HB2 TYR A 84 10.643 19.561 25.483 1.00 0.50 H new ATOM 0 HB3 TYR A 84 9.780 20.710 26.487 1.00 0.50 H new ATOM 0 HD1 TYR A 84 11.483 22.159 28.034 1.00 3.10 H new ATOM 0 HD2 TYR A 84 12.428 20.469 24.249 1.00 1.85 H new ATOM 0 HE1 TYR A 84 13.243 23.827 27.732 1.00 3.77 H new ATOM 0 HE2 TYR A 84 14.198 22.151 23.951 1.00 1.65 H new ATOM 0 HH TYR A 84 15.244 23.938 24.814 1.00 2.87 H new