USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -149:sc= -0.0962 (180deg=-0.656) USER MOD Single : A 14 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.00035) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 82:sc= 0.564 USER MOD Single : A 21 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4! C(o=-4.8!,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -4.38 K(o=-4.4,f=-7.9!) USER MOD Single : A 31 HIS : no HE2:sc= -3.92! K(o=-3.9!,f=-5.4) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0216 (180deg=-0.166) USER MOD Single : A 38 MET CE :methyl -107:sc= -0.15 (180deg=-0.727) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0225 X(o=-0.022,f=-0.36) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.04 X(o=-1,f=-0.83) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.67) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.882 (180deg=-0.705!) USER MOD Single : A 55 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.24) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 70 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 71:sc= 0.278 USER MOD Single : A 79 SER OG : rot -148:sc= -1.11 USER MOD Single : A 81 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.3) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.609 -5.767 -6.460 1.00 0.00 N ATOM 60 CA GLY A 7 -10.899 -6.968 -6.056 1.00 0.00 C ATOM 61 C GLY A 7 -9.611 -6.619 -5.308 1.00 0.00 C ATOM 62 O GLY A 7 -9.606 -6.524 -4.082 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.540 -7.577 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.662 -7.568 -6.935 1.00 0.00 H new ATOM 66 N PRO A 8 -8.520 -6.432 -6.099 1.00 0.00 N ATOM 67 CA PRO A 8 -7.228 -6.095 -5.526 1.00 0.00 C ATOM 68 C PRO A 8 -7.193 -4.634 -5.073 1.00 0.00 C ATOM 69 O PRO A 8 -7.887 -3.789 -5.638 1.00 0.00 O ATOM 70 CB PRO A 8 -6.219 -6.402 -6.620 1.00 0.00 C ATOM 71 CG PRO A 8 -7.013 -6.457 -7.915 1.00 0.00 C ATOM 72 CD PRO A 8 -8.488 -6.536 -7.555 1.00 0.00 C ATOM 0 HA PRO A 8 -7.005 -6.668 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.448 -5.633 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.714 -7.349 -6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.815 -5.573 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.718 -7.323 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.053 -5.730 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.929 -7.473 -7.895 1.00 0.00 H new ATOM 80 N LYS A 9 -6.379 -4.381 -4.059 1.00 0.00 N ATOM 81 CA LYS A 9 -6.245 -3.037 -3.525 1.00 0.00 C ATOM 82 C LYS A 9 -4.815 -2.543 -3.752 1.00 0.00 C ATOM 83 O LYS A 9 -3.855 -3.249 -3.449 1.00 0.00 O ATOM 84 CB LYS A 9 -6.684 -2.996 -2.060 1.00 0.00 C ATOM 85 CG LYS A 9 -8.002 -2.235 -1.903 1.00 0.00 C ATOM 86 CD LYS A 9 -8.893 -2.893 -0.848 1.00 0.00 C ATOM 87 CE LYS A 9 -8.851 -2.114 0.469 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.008 -2.471 1.319 1.00 0.00 N ATOM 0 H LYS A 9 -5.806 -5.084 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.908 -2.350 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.800 -4.012 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.911 -2.519 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.798 -1.202 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.525 -2.206 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.919 -2.942 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.565 -3.919 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.923 -2.332 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.858 -1.043 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.964 -1.934 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.890 -2.241 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.984 -3.489 1.528 1.00 0.00 H new ATOM 102 N LYS A 10 -4.718 -1.333 -4.283 1.00 0.00 N ATOM 103 CA LYS A 10 -3.421 -0.736 -4.554 1.00 0.00 C ATOM 104 C LYS A 10 -2.478 -1.023 -3.384 1.00 0.00 C ATOM 105 O LYS A 10 -2.554 -0.369 -2.345 1.00 0.00 O ATOM 106 CB LYS A 10 -3.572 0.753 -4.870 1.00 0.00 C ATOM 107 CG LYS A 10 -2.494 1.218 -5.851 1.00 0.00 C ATOM 108 CD LYS A 10 -3.120 1.866 -7.088 1.00 0.00 C ATOM 109 CE LYS A 10 -2.414 1.405 -8.365 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.639 2.374 -9.460 1.00 0.00 N ATOM 0 H LYS A 10 -5.517 -0.750 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.974 -1.183 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.559 0.940 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.505 1.332 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.832 1.930 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.881 0.369 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.178 1.610 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.058 2.951 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.345 1.299 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.785 0.423 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.153 2.046 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.659 2.455 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.264 3.304 -9.184 1.00 0.00 H new ATOM 124 N PRO A 11 -1.587 -2.028 -3.598 1.00 0.00 N ATOM 125 CA PRO A 11 -0.629 -2.410 -2.574 1.00 0.00 C ATOM 126 C PRO A 11 0.500 -1.384 -2.469 1.00 0.00 C ATOM 127 O PRO A 11 0.581 -0.459 -3.276 1.00 0.00 O ATOM 128 CB PRO A 11 -0.142 -3.790 -2.985 1.00 0.00 C ATOM 129 CG PRO A 11 -0.490 -3.932 -4.458 1.00 0.00 C ATOM 130 CD PRO A 11 -1.467 -2.825 -4.816 1.00 0.00 C ATOM 0 HA PRO A 11 -1.069 -2.439 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.932 -3.889 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.625 -4.567 -2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.409 -3.861 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.932 -4.909 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.098 -2.225 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.432 -3.231 -5.120 1.00 0.00 H new ATOM 138 N PRO A 12 1.368 -1.587 -1.442 1.00 0.00 N ATOM 139 CA PRO A 12 2.490 -0.690 -1.221 1.00 0.00 C ATOM 140 C PRO A 12 3.597 -0.934 -2.249 1.00 0.00 C ATOM 141 O PRO A 12 3.423 -1.720 -3.179 1.00 0.00 O ATOM 142 CB PRO A 12 2.936 -0.962 0.206 1.00 0.00 C ATOM 143 CG PRO A 12 2.354 -2.317 0.574 1.00 0.00 C ATOM 144 CD PRO A 12 1.304 -2.672 -0.467 1.00 0.00 C ATOM 0 HA PRO A 12 2.221 0.359 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.023 -0.971 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.577 -0.186 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.137 -3.075 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.909 -2.284 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.516 -3.635 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.312 -2.745 -0.020 1.00 0.00 H new ATOM 152 N MET A 13 4.709 -0.243 -2.048 1.00 0.00 N ATOM 153 CA MET A 13 5.844 -0.374 -2.946 1.00 0.00 C ATOM 154 C MET A 13 7.107 -0.772 -2.179 1.00 0.00 C ATOM 155 O MET A 13 7.655 -1.852 -2.396 1.00 0.00 O ATOM 156 CB MET A 13 6.081 0.955 -3.666 1.00 0.00 C ATOM 157 CG MET A 13 5.014 1.196 -4.736 1.00 0.00 C ATOM 158 SD MET A 13 5.753 1.136 -6.360 1.00 0.00 S ATOM 159 CE MET A 13 6.803 2.577 -6.276 1.00 0.00 C ATOM 0 H MET A 13 4.849 0.409 -1.276 1.00 0.00 H new ATOM 0 HA MET A 13 5.621 -1.156 -3.672 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.068 1.771 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.069 0.952 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.230 0.443 -4.656 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.541 2.165 -4.578 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.902 3.013 -7.270 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.362 3.310 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.787 2.289 -5.906 1.00 0.00 H new ATOM 169 N ASN A 14 7.533 0.122 -1.299 1.00 0.00 N ATOM 170 CA ASN A 14 8.721 -0.122 -0.499 1.00 0.00 C ATOM 171 C ASN A 14 8.321 -0.832 0.796 1.00 0.00 C ATOM 172 O ASN A 14 8.693 -1.983 1.017 1.00 0.00 O ATOM 173 CB ASN A 14 9.412 1.191 -0.125 1.00 0.00 C ATOM 174 CG ASN A 14 9.818 1.973 -1.376 1.00 0.00 C ATOM 175 OD1 ASN A 14 10.494 1.473 -2.260 1.00 0.00 O ATOM 176 ND2 ASN A 14 9.368 3.224 -1.400 1.00 0.00 N ATOM 0 H ASN A 14 7.076 1.017 -1.122 1.00 0.00 H new ATOM 0 HA ASN A 14 9.405 -0.734 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.743 1.797 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.294 0.982 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.584 3.829 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.807 3.579 -0.626 1.00 0.00 H new ATOM 183 N GLY A 15 7.569 -0.115 1.619 1.00 0.00 N ATOM 184 CA GLY A 15 7.115 -0.662 2.886 1.00 0.00 C ATOM 185 C GLY A 15 6.531 0.435 3.779 1.00 0.00 C ATOM 186 O GLY A 15 5.640 0.174 4.585 1.00 0.00 O ATOM 0 H GLY A 15 7.263 0.840 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.362 -1.429 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.947 -1.147 3.396 1.00 0.00 H new ATOM 190 N TYR A 16 7.058 1.638 3.604 1.00 0.00 N ATOM 191 CA TYR A 16 6.600 2.775 4.384 1.00 0.00 C ATOM 192 C TYR A 16 5.123 3.066 4.114 1.00 0.00 C ATOM 193 O TYR A 16 4.403 3.520 5.002 1.00 0.00 O ATOM 194 CB TYR A 16 7.436 3.969 3.920 1.00 0.00 C ATOM 195 CG TYR A 16 6.874 5.327 4.347 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.560 5.557 5.671 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.683 6.321 3.410 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.031 6.834 6.074 1.00 0.00 C ATOM 199 CE2 TYR A 16 6.154 7.598 3.812 1.00 0.00 C ATOM 200 CZ TYR A 16 5.854 7.792 5.124 1.00 0.00 C ATOM 201 OH TYR A 16 5.355 8.998 5.505 1.00 0.00 O ATOM 0 H TYR A 16 7.797 1.850 2.934 1.00 0.00 H new ATOM 0 HA TYR A 16 6.709 2.578 5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.447 3.866 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.513 3.945 2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.711 4.779 6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.930 6.141 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.780 7.027 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.999 8.384 3.088 1.00 0.00 H new ATOM 0 HH TYR A 16 5.283 9.584 4.723 1.00 0.00 H new ATOM 211 N GLN A 17 4.714 2.793 2.883 1.00 0.00 N ATOM 212 CA GLN A 17 3.336 3.020 2.485 1.00 0.00 C ATOM 213 C GLN A 17 2.418 1.983 3.134 1.00 0.00 C ATOM 214 O GLN A 17 1.223 2.224 3.301 1.00 0.00 O ATOM 215 CB GLN A 17 3.195 3.000 0.961 1.00 0.00 C ATOM 216 CG GLN A 17 4.050 4.093 0.317 1.00 0.00 C ATOM 217 CD GLN A 17 3.818 4.151 -1.194 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.896 2.969 -1.799 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.584 5.200 -1.772 1.00 0.00 N flip ATOM 0 H GLN A 17 5.314 2.417 2.149 1.00 0.00 H new ATOM 0 HA GLN A 17 3.037 4.009 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.495 2.025 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.150 3.142 0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.809 5.058 0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.104 3.902 0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.538 6.073 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.434 5.204 -2.781 1.00 0.00 H new ATOM 228 N LYS A 18 3.011 0.850 3.483 1.00 0.00 N ATOM 229 CA LYS A 18 2.261 -0.225 4.110 1.00 0.00 C ATOM 230 C LYS A 18 1.839 0.207 5.516 1.00 0.00 C ATOM 231 O LYS A 18 0.650 0.233 5.830 1.00 0.00 O ATOM 232 CB LYS A 18 3.065 -1.526 4.081 1.00 0.00 C ATOM 233 CG LYS A 18 2.348 -2.631 4.860 1.00 0.00 C ATOM 234 CD LYS A 18 0.947 -2.877 4.297 1.00 0.00 C ATOM 235 CE LYS A 18 0.595 -4.366 4.336 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.633 -4.587 5.133 1.00 0.00 N ATOM 0 H LYS A 18 4.002 0.654 3.343 1.00 0.00 H new ATOM 0 HA LYS A 18 1.348 -0.430 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.215 -1.842 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.053 -1.357 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.930 -3.551 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.278 -2.353 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.215 -2.311 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.894 -2.514 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.449 -4.738 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.422 -4.930 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.858 -5.602 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.481 -4.250 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.424 -4.064 4.705 1.00 0.00 H new ATOM 250 N PHE A 19 2.836 0.534 6.324 1.00 0.00 N ATOM 251 CA PHE A 19 2.583 0.963 7.689 1.00 0.00 C ATOM 252 C PHE A 19 1.593 2.129 7.723 1.00 0.00 C ATOM 253 O PHE A 19 0.711 2.175 8.579 1.00 0.00 O ATOM 254 CB PHE A 19 3.921 1.428 8.267 1.00 0.00 C ATOM 255 CG PHE A 19 3.787 2.379 9.458 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.417 1.897 10.675 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.038 3.706 9.300 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.293 2.780 11.780 1.00 0.00 C ATOM 259 CE2 PHE A 19 3.914 4.589 10.405 1.00 0.00 C ATOM 260 CZ PHE A 19 3.544 4.107 11.622 1.00 0.00 C ATOM 0 H PHE A 19 3.821 0.511 6.060 1.00 0.00 H new ATOM 0 HA PHE A 19 2.155 0.142 8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.495 0.554 8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.492 1.924 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.218 0.843 10.801 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.332 4.089 8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.999 2.397 12.746 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.113 5.643 10.279 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.450 4.778 12.463 1.00 0.00 H new ATOM 270 N SER A 20 1.772 3.043 6.781 1.00 0.00 N ATOM 271 CA SER A 20 0.906 4.206 6.692 1.00 0.00 C ATOM 272 C SER A 20 -0.540 3.765 6.457 1.00 0.00 C ATOM 273 O SER A 20 -1.422 4.065 7.260 1.00 0.00 O ATOM 274 CB SER A 20 1.361 5.148 5.575 1.00 0.00 C ATOM 275 OG SER A 20 2.712 5.566 5.747 1.00 0.00 O ATOM 0 H SER A 20 2.504 3.002 6.072 1.00 0.00 H new ATOM 0 HA SER A 20 0.965 4.749 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.256 4.647 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.711 6.023 5.551 1.00 0.00 H new ATOM 0 HG SER A 20 3.315 4.871 5.410 1.00 0.00 H new ATOM 281 N GLN A 21 -0.738 3.059 5.354 1.00 0.00 N ATOM 282 CA GLN A 21 -2.062 2.573 5.004 1.00 0.00 C ATOM 283 C GLN A 21 -2.774 2.031 6.245 1.00 0.00 C ATOM 284 O GLN A 21 -3.991 2.157 6.372 1.00 0.00 O ATOM 285 CB GLN A 21 -1.984 1.509 3.907 1.00 0.00 C ATOM 286 CG GLN A 21 -2.410 2.083 2.554 1.00 0.00 C ATOM 287 CD GLN A 21 -3.876 2.520 2.581 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.627 2.209 3.491 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.240 3.256 1.535 1.00 0.00 N ATOM 0 H GLN A 21 -0.004 2.812 4.691 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.642 3.408 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.966 1.126 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.625 0.666 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.778 2.934 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.264 1.334 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.561 3.480 0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.199 3.597 1.460 1.00 0.00 H new ATOM 298 N GLU A 22 -1.985 1.438 7.128 1.00 0.00 N ATOM 299 CA GLU A 22 -2.524 0.875 8.355 1.00 0.00 C ATOM 300 C GLU A 22 -3.078 1.986 9.249 1.00 0.00 C ATOM 301 O GLU A 22 -4.172 1.859 9.797 1.00 0.00 O ATOM 302 CB GLU A 22 -1.465 0.054 9.093 1.00 0.00 C ATOM 303 CG GLU A 22 -2.069 -1.230 9.666 1.00 0.00 C ATOM 304 CD GLU A 22 -1.322 -2.464 9.154 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.584 -2.845 7.994 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.505 -2.997 9.936 1.00 0.00 O ATOM 0 H GLU A 22 -0.976 1.335 7.019 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.341 0.202 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.652 -0.195 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.034 0.649 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.027 -1.201 10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.121 -1.296 9.389 1.00 0.00 H new ATOM 313 N LEU A 23 -2.297 3.049 9.370 1.00 0.00 N ATOM 314 CA LEU A 23 -2.696 4.181 10.189 1.00 0.00 C ATOM 315 C LEU A 23 -3.868 4.902 9.520 1.00 0.00 C ATOM 316 O LEU A 23 -4.597 5.648 10.172 1.00 0.00 O ATOM 317 CB LEU A 23 -1.496 5.088 10.470 1.00 0.00 C ATOM 318 CG LEU A 23 -0.397 4.492 11.352 1.00 0.00 C ATOM 319 CD1 LEU A 23 0.988 4.940 10.879 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.635 4.825 12.826 1.00 0.00 C ATOM 0 H LEU A 23 -1.390 3.150 8.915 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.045 3.841 11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.053 5.377 9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.858 6.001 10.943 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.434 3.407 11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.751 4.503 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.146 4.610 9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.054 6.027 10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.161 4.389 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.640 5.907 12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.595 4.416 13.141 1.00 0.00 H new ATOM 332 N LEU A 24 -4.013 4.654 8.226 1.00 0.00 N ATOM 333 CA LEU A 24 -5.083 5.269 7.461 1.00 0.00 C ATOM 334 C LEU A 24 -6.339 4.400 7.558 1.00 0.00 C ATOM 335 O LEU A 24 -7.456 4.902 7.447 1.00 0.00 O ATOM 336 CB LEU A 24 -4.630 5.537 6.025 1.00 0.00 C ATOM 337 CG LEU A 24 -3.583 6.639 5.846 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.529 7.114 4.393 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.832 7.794 6.818 1.00 0.00 C ATOM 0 H LEU A 24 -3.406 4.035 7.688 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.337 6.244 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.228 4.611 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.506 5.796 5.431 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.604 6.222 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.777 7.897 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.268 6.277 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.503 7.508 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.074 8.564 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.820 8.217 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.780 7.425 7.842 1.00 0.00 H new ATOM 351 N SER A 25 -6.112 3.111 7.763 1.00 0.00 N ATOM 352 CA SER A 25 -7.211 2.166 7.876 1.00 0.00 C ATOM 353 C SER A 25 -7.556 1.938 9.349 1.00 0.00 C ATOM 354 O SER A 25 -8.660 1.502 9.671 1.00 0.00 O ATOM 355 CB SER A 25 -6.867 0.838 7.199 1.00 0.00 C ATOM 356 OG SER A 25 -8.033 0.083 6.881 1.00 0.00 O ATOM 0 H SER A 25 -5.184 2.698 7.854 1.00 0.00 H new ATOM 0 HA SER A 25 -8.078 2.588 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.301 1.032 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.224 0.252 7.856 1.00 0.00 H new ATOM 0 HG SER A 25 -7.771 -0.757 6.449 1.00 0.00 H new ATOM 362 N ASN A 26 -6.590 2.243 10.204 1.00 0.00 N ATOM 363 CA ASN A 26 -6.778 2.077 11.635 1.00 0.00 C ATOM 364 C ASN A 26 -7.647 3.218 12.167 1.00 0.00 C ATOM 365 O ASN A 26 -8.728 2.981 12.705 1.00 0.00 O ATOM 366 CB ASN A 26 -5.439 2.118 12.374 1.00 0.00 C ATOM 367 CG ASN A 26 -4.631 0.845 12.116 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.322 1.050 11.997 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -5.161 -0.251 12.031 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.675 2.604 9.933 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.254 1.111 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.867 2.988 12.050 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.613 2.232 13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.172 -0.338 12.132 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.593 -1.080 11.859 1.00 0.00 H new ATOM 376 N GLY A 27 -7.143 4.431 11.998 1.00 0.00 N ATOM 377 CA GLY A 27 -7.860 5.610 12.455 1.00 0.00 C ATOM 378 C GLY A 27 -7.281 6.128 13.773 1.00 0.00 C ATOM 379 O GLY A 27 -7.994 6.727 14.576 1.00 0.00 O ATOM 0 H GLY A 27 -6.247 4.624 11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.803 6.391 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.915 5.370 12.587 1.00 0.00 H new ATOM 383 N GLU A 28 -5.992 5.878 13.954 1.00 0.00 N ATOM 384 CA GLU A 28 -5.309 6.312 15.161 1.00 0.00 C ATOM 385 C GLU A 28 -5.085 7.825 15.130 1.00 0.00 C ATOM 386 O GLU A 28 -5.051 8.473 16.175 1.00 0.00 O ATOM 387 CB GLU A 28 -3.985 5.566 15.340 1.00 0.00 C ATOM 388 CG GLU A 28 -4.043 4.183 14.687 1.00 0.00 C ATOM 389 CD GLU A 28 -3.249 3.159 15.501 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.003 3.211 15.418 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.907 2.348 16.189 1.00 0.00 O ATOM 0 H GLU A 28 -5.403 5.381 13.286 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.941 6.075 16.017 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.174 6.146 14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.763 5.462 16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.081 3.860 14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.643 4.238 13.675 1.00 0.00 H new ATOM 398 N LEU A 29 -4.939 8.345 13.920 1.00 0.00 N ATOM 399 CA LEU A 29 -4.720 9.770 13.739 1.00 0.00 C ATOM 400 C LEU A 29 -5.899 10.369 12.970 1.00 0.00 C ATOM 401 O LEU A 29 -5.711 11.223 12.105 1.00 0.00 O ATOM 402 CB LEU A 29 -3.363 10.024 13.079 1.00 0.00 C ATOM 403 CG LEU A 29 -2.411 8.827 13.021 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.452 8.947 11.835 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.666 8.655 14.346 1.00 0.00 C ATOM 0 H LEU A 29 -4.968 7.805 13.055 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.679 10.275 14.704 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.536 10.375 12.062 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.866 10.833 13.615 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.004 7.925 12.866 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.786 8.084 11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.023 8.984 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.862 9.858 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.996 7.798 14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.086 9.553 14.556 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.385 8.491 15.149 1.00 0.00 H new ATOM 417 N ASN A 30 -7.089 9.899 13.315 1.00 0.00 N ATOM 418 CA ASN A 30 -8.299 10.378 12.668 1.00 0.00 C ATOM 419 C ASN A 30 -8.802 11.625 13.398 1.00 0.00 C ATOM 420 O ASN A 30 -9.889 12.123 13.106 1.00 0.00 O ATOM 421 CB ASN A 30 -9.405 9.322 12.718 1.00 0.00 C ATOM 422 CG ASN A 30 -9.322 8.384 11.513 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.629 8.638 10.541 1.00 0.00 O ATOM 424 ND2 ASN A 30 -10.066 7.287 11.628 1.00 0.00 N ATOM 0 H ASN A 30 -7.241 9.192 14.034 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.060 10.601 11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.321 8.745 13.639 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.379 9.811 12.736 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.079 6.598 10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.623 7.135 12.468 1.00 0.00 H new ATOM 431 N HIS A 31 -7.989 12.094 14.332 1.00 0.00 N ATOM 432 CA HIS A 31 -8.338 13.273 15.105 1.00 0.00 C ATOM 433 C HIS A 31 -7.859 14.528 14.373 1.00 0.00 C ATOM 434 O HIS A 31 -8.373 15.621 14.605 1.00 0.00 O ATOM 435 CB HIS A 31 -7.788 13.172 16.529 1.00 0.00 C ATOM 436 CG HIS A 31 -6.296 12.949 16.597 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.718 11.698 16.468 1.00 0.00 N ATOM 438 CD2 HIS A 31 -5.270 13.829 16.779 1.00 0.00 C ATOM 439 CE1 HIS A 31 -4.404 11.831 16.571 1.00 0.00 C ATOM 440 NE2 HIS A 31 -4.128 13.152 16.764 1.00 0.00 N ATOM 0 H HIS A 31 -7.089 11.678 14.571 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.422 13.341 15.200 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.033 14.087 17.068 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.291 12.354 17.045 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.219 10.822 16.319 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.370 14.896 16.913 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.679 11.033 16.512 1.00 0.00 H new ATOM 448 N LEU A 32 -6.880 14.329 13.502 1.00 0.00 N ATOM 449 CA LEU A 32 -6.326 15.430 12.734 1.00 0.00 C ATOM 450 C LEU A 32 -6.651 15.227 11.252 1.00 0.00 C ATOM 451 O LEU A 32 -7.111 14.158 10.855 1.00 0.00 O ATOM 452 CB LEU A 32 -4.832 15.585 13.020 1.00 0.00 C ATOM 453 CG LEU A 32 -4.148 14.388 13.685 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.828 13.300 12.658 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.905 14.828 14.461 1.00 0.00 C ATOM 0 H LEU A 32 -6.457 13.421 13.312 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.784 16.372 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.322 15.793 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.693 16.458 13.658 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.841 13.956 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.343 12.461 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.751 12.959 12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.162 13.704 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.438 13.958 14.924 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.198 15.299 13.778 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.192 15.540 15.235 1.00 0.00 H new ATOM 467 N PRO A 33 -6.391 16.298 10.455 1.00 0.00 N ATOM 468 CA PRO A 33 -6.650 16.247 9.026 1.00 0.00 C ATOM 469 C PRO A 33 -5.591 15.410 8.306 1.00 0.00 C ATOM 470 O PRO A 33 -4.493 15.212 8.824 1.00 0.00 O ATOM 471 CB PRO A 33 -6.665 17.699 8.577 1.00 0.00 C ATOM 472 CG PRO A 33 -5.957 18.481 9.672 1.00 0.00 C ATOM 473 CD PRO A 33 -5.845 17.580 10.891 1.00 0.00 C ATOM 0 HA PRO A 33 -7.595 15.760 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.156 17.817 7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.686 18.055 8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.968 18.796 9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.514 19.386 9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.809 17.480 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.406 17.983 11.734 1.00 0.00 H new ATOM 481 N LEU A 34 -5.958 14.940 7.123 1.00 0.00 N ATOM 482 CA LEU A 34 -5.053 14.129 6.326 1.00 0.00 C ATOM 483 C LEU A 34 -3.638 14.703 6.425 1.00 0.00 C ATOM 484 O LEU A 34 -2.702 13.996 6.793 1.00 0.00 O ATOM 485 CB LEU A 34 -5.567 14.005 4.890 1.00 0.00 C ATOM 486 CG LEU A 34 -4.837 12.996 4.001 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.320 13.146 4.133 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.300 11.568 4.298 1.00 0.00 C ATOM 0 H LEU A 34 -6.870 15.105 6.697 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.012 13.111 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.622 13.732 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.507 14.986 4.418 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.092 13.208 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.825 12.417 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.026 14.152 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.026 12.976 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.766 10.871 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.094 11.328 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.371 11.487 4.112 1.00 0.00 H new ATOM 500 N LYS A 35 -3.528 15.981 6.091 1.00 0.00 N ATOM 501 CA LYS A 35 -2.243 16.658 6.138 1.00 0.00 C ATOM 502 C LYS A 35 -1.446 16.148 7.340 1.00 0.00 C ATOM 503 O LYS A 35 -0.443 15.456 7.175 1.00 0.00 O ATOM 504 CB LYS A 35 -2.438 18.176 6.128 1.00 0.00 C ATOM 505 CG LYS A 35 -1.104 18.900 6.319 1.00 0.00 C ATOM 506 CD LYS A 35 -0.264 18.849 5.040 1.00 0.00 C ATOM 507 CE LYS A 35 0.326 20.223 4.717 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.740 21.160 4.297 1.00 0.00 N ATOM 0 H LYS A 35 -4.307 16.565 5.787 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.658 16.428 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.890 18.482 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.129 18.463 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.286 19.938 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.552 18.442 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.540 18.122 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.881 18.510 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.842 20.619 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.069 20.129 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.321 21.942 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.430 20.657 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.220 21.540 5.138 1.00 0.00 H new ATOM 522 N GLU A 36 -1.922 16.509 8.522 1.00 0.00 N ATOM 523 CA GLU A 36 -1.266 16.096 9.751 1.00 0.00 C ATOM 524 C GLU A 36 -1.039 14.583 9.749 1.00 0.00 C ATOM 525 O GLU A 36 0.070 14.118 10.007 1.00 0.00 O ATOM 526 CB GLU A 36 -2.075 16.528 10.976 1.00 0.00 C ATOM 527 CG GLU A 36 -1.645 17.915 11.456 1.00 0.00 C ATOM 528 CD GLU A 36 -1.544 17.960 12.982 1.00 0.00 C ATOM 529 OE1 GLU A 36 -2.480 17.441 13.628 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.534 18.514 13.468 1.00 0.00 O ATOM 0 H GLU A 36 -2.754 17.083 8.655 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.295 16.589 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.137 16.537 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.940 15.803 11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.682 18.173 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.362 18.661 11.113 1.00 0.00 H new ATOM 537 N ARG A 37 -2.107 13.857 9.456 1.00 0.00 N ATOM 538 CA ARG A 37 -2.039 12.406 9.417 1.00 0.00 C ATOM 539 C ARG A 37 -0.743 11.954 8.740 1.00 0.00 C ATOM 540 O ARG A 37 0.088 11.293 9.360 1.00 0.00 O ATOM 541 CB ARG A 37 -3.232 11.818 8.662 1.00 0.00 C ATOM 542 CG ARG A 37 -4.246 11.205 9.631 1.00 0.00 C ATOM 543 CD ARG A 37 -5.541 10.832 8.907 1.00 0.00 C ATOM 544 NE ARG A 37 -6.659 11.663 9.409 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.953 11.381 9.207 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.301 10.289 8.513 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.900 12.191 9.700 1.00 0.00 N ATOM 0 H ARG A 37 -3.025 14.247 9.243 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.062 12.045 10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.713 12.598 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.885 11.057 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.818 10.318 10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.463 11.913 10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.422 10.978 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.763 9.776 9.063 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.430 12.502 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.581 9.672 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.286 10.075 8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.636 13.022 10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.885 11.976 9.546 1.00 0.00 H new ATOM 561 N MET A 38 -0.612 12.329 7.476 1.00 0.00 N ATOM 562 CA MET A 38 0.568 11.971 6.707 1.00 0.00 C ATOM 563 C MET A 38 1.846 12.277 7.491 1.00 0.00 C ATOM 564 O MET A 38 2.559 11.364 7.904 1.00 0.00 O ATOM 565 CB MET A 38 0.577 12.750 5.391 1.00 0.00 C ATOM 566 CG MET A 38 -0.410 12.145 4.390 1.00 0.00 C ATOM 567 SD MET A 38 0.452 11.063 3.261 1.00 0.00 S ATOM 568 CE MET A 38 0.112 9.486 4.025 1.00 0.00 C ATOM 0 H MET A 38 -1.304 12.877 6.965 1.00 0.00 H new ATOM 0 HA MET A 38 0.535 10.901 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.317 13.792 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.581 12.743 4.967 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.184 11.589 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.911 12.939 3.835 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.016 9.112 4.506 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.673 9.605 4.771 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.214 8.776 3.265 1.00 0.00 H new ATOM 578 N VAL A 39 2.097 13.566 7.671 1.00 0.00 N ATOM 579 CA VAL A 39 3.276 14.004 8.397 1.00 0.00 C ATOM 580 C VAL A 39 3.414 13.183 9.681 1.00 0.00 C ATOM 581 O VAL A 39 4.487 12.659 9.975 1.00 0.00 O ATOM 582 CB VAL A 39 3.202 15.510 8.656 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.881 15.886 9.331 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.396 15.984 9.487 1.00 0.00 C ATOM 0 H VAL A 39 1.504 14.321 7.326 1.00 0.00 H new ATOM 0 HA VAL A 39 4.174 13.833 7.804 1.00 0.00 H new ATOM 0 HB VAL A 39 3.243 16.017 7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.854 16.962 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.049 15.601 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.798 15.363 10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.318 17.058 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.401 15.465 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.321 15.767 8.952 1.00 0.00 H new ATOM 594 N GLU A 40 2.312 13.097 10.412 1.00 0.00 N ATOM 595 CA GLU A 40 2.297 12.349 11.657 1.00 0.00 C ATOM 596 C GLU A 40 2.772 10.914 11.420 1.00 0.00 C ATOM 597 O GLU A 40 3.519 10.363 12.228 1.00 0.00 O ATOM 598 CB GLU A 40 0.904 12.367 12.290 1.00 0.00 C ATOM 599 CG GLU A 40 0.980 12.073 13.790 1.00 0.00 C ATOM 600 CD GLU A 40 0.676 10.601 14.076 1.00 0.00 C ATOM 601 OE1 GLU A 40 0.939 9.781 13.170 1.00 0.00 O ATOM 602 OE2 GLU A 40 0.187 10.330 15.194 1.00 0.00 O ATOM 0 H GLU A 40 1.423 13.533 10.166 1.00 0.00 H new ATOM 0 HA GLU A 40 2.984 12.828 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.440 13.340 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.269 11.627 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.973 12.322 14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.271 12.705 14.325 1.00 0.00 H new ATOM 609 N ILE A 41 2.321 10.351 10.310 1.00 0.00 N ATOM 610 CA ILE A 41 2.691 8.991 9.956 1.00 0.00 C ATOM 611 C ILE A 41 4.205 8.916 9.749 1.00 0.00 C ATOM 612 O ILE A 41 4.902 8.217 10.482 1.00 0.00 O ATOM 613 CB ILE A 41 1.881 8.511 8.751 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.389 8.446 9.083 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.411 7.173 8.231 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.462 8.740 7.846 1.00 0.00 C ATOM 0 H ILE A 41 1.702 10.812 9.643 1.00 0.00 H new ATOM 0 HA ILE A 41 2.446 8.306 10.768 1.00 0.00 H new ATOM 0 HB ILE A 41 2.001 9.239 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.142 7.458 9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.156 9.165 9.868 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.817 6.855 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.452 7.287 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.342 6.423 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.518 8.687 8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.230 9.738 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.244 8.004 7.072 1.00 0.00 H new ATOM 628 N GLY A 42 4.669 9.647 8.746 1.00 0.00 N ATOM 629 CA GLY A 42 6.088 9.673 8.433 1.00 0.00 C ATOM 630 C GLY A 42 6.931 9.664 9.709 1.00 0.00 C ATOM 631 O GLY A 42 7.998 9.053 9.748 1.00 0.00 O ATOM 0 H GLY A 42 4.088 10.226 8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.344 8.811 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.319 10.563 7.847 1.00 0.00 H new ATOM 635 N SER A 43 6.421 10.349 10.722 1.00 0.00 N ATOM 636 CA SER A 43 7.114 10.428 11.997 1.00 0.00 C ATOM 637 C SER A 43 7.081 9.067 12.695 1.00 0.00 C ATOM 638 O SER A 43 8.126 8.515 13.036 1.00 0.00 O ATOM 639 CB SER A 43 6.495 11.501 12.895 1.00 0.00 C ATOM 640 OG SER A 43 7.477 12.172 13.679 1.00 0.00 O ATOM 0 H SER A 43 5.536 10.855 10.686 1.00 0.00 H new ATOM 0 HA SER A 43 8.150 10.707 11.807 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.964 12.227 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.757 11.042 13.553 1.00 0.00 H new ATOM 0 HG SER A 43 7.042 12.850 14.237 1.00 0.00 H new ATOM 646 N ARG A 44 5.870 8.566 12.889 1.00 0.00 N ATOM 647 CA ARG A 44 5.688 7.281 13.541 1.00 0.00 C ATOM 648 C ARG A 44 6.549 6.214 12.862 1.00 0.00 C ATOM 649 O ARG A 44 7.118 5.352 13.530 1.00 0.00 O ATOM 650 CB ARG A 44 4.222 6.845 13.498 1.00 0.00 C ATOM 651 CG ARG A 44 3.331 7.844 14.239 1.00 0.00 C ATOM 652 CD ARG A 44 2.077 7.160 14.788 1.00 0.00 C ATOM 653 NE ARG A 44 2.352 6.602 16.131 1.00 0.00 N ATOM 654 CZ ARG A 44 2.623 7.346 17.212 1.00 0.00 C ATOM 655 NH1 ARG A 44 2.659 8.682 17.114 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.860 6.754 18.391 1.00 0.00 N ATOM 0 H ARG A 44 5.005 9.027 12.606 1.00 0.00 H new ATOM 0 HA ARG A 44 5.993 7.391 14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.895 6.759 12.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.119 5.857 13.948 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.890 8.297 15.058 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.044 8.650 13.564 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.257 7.876 14.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.761 6.365 14.113 1.00 0.00 H new ATOM 0 HE ARG A 44 2.334 5.588 16.240 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.480 9.133 16.217 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.865 9.248 17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.834 5.737 18.465 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.066 7.320 19.214 1.00 0.00 H new ATOM 670 N TRP A 45 6.619 6.307 11.542 1.00 0.00 N ATOM 671 CA TRP A 45 7.402 5.361 10.765 1.00 0.00 C ATOM 672 C TRP A 45 8.877 5.566 11.117 1.00 0.00 C ATOM 673 O TRP A 45 9.665 4.623 11.080 1.00 0.00 O ATOM 674 CB TRP A 45 7.117 5.511 9.270 1.00 0.00 C ATOM 675 CG TRP A 45 8.097 4.754 8.371 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.256 5.192 7.860 1.00 0.00 C ATOM 677 CD2 TRP A 45 7.954 3.399 7.894 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.869 4.222 7.092 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.052 3.098 7.113 1.00 0.00 C ATOM 680 CE3 TRP A 45 6.932 2.460 8.114 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.232 1.857 6.491 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.127 1.224 7.485 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.226 0.905 6.697 1.00 0.00 C ATOM 0 H TRP A 45 6.146 7.023 10.991 1.00 0.00 H new ATOM 0 HA TRP A 45 7.125 4.336 11.012 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.106 5.158 9.066 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.144 6.569 9.010 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.660 6.180 8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.758 4.314 6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.064 2.675 8.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.100 1.645 5.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.370 0.466 7.622 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.304 -0.073 6.245 1.00 0.00 H new ATOM 694 N GLN A 46 9.206 6.806 11.450 1.00 0.00 N ATOM 695 CA GLN A 46 10.572 7.147 11.808 1.00 0.00 C ATOM 696 C GLN A 46 10.861 6.735 13.253 1.00 0.00 C ATOM 697 O GLN A 46 11.977 6.907 13.740 1.00 0.00 O ATOM 698 CB GLN A 46 10.836 8.640 11.601 1.00 0.00 C ATOM 699 CG GLN A 46 11.502 8.895 10.247 1.00 0.00 C ATOM 700 CD GLN A 46 12.973 9.277 10.422 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.660 8.810 11.316 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.416 10.150 9.522 1.00 0.00 N ATOM 0 H GLN A 46 8.550 7.586 11.479 1.00 0.00 H new ATOM 0 HA GLN A 46 11.247 6.597 11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.897 9.191 11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.475 9.015 12.401 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.426 8.002 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.975 9.693 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.787 10.501 8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.385 10.468 9.554 1.00 0.00 H new ATOM 711 N ARG A 47 9.835 6.198 13.898 1.00 0.00 N ATOM 712 CA ARG A 47 9.965 5.760 15.277 1.00 0.00 C ATOM 713 C ARG A 47 10.261 4.260 15.332 1.00 0.00 C ATOM 714 O ARG A 47 11.210 3.835 15.990 1.00 0.00 O ATOM 715 CB ARG A 47 8.689 6.050 16.070 1.00 0.00 C ATOM 716 CG ARG A 47 8.423 7.555 16.151 1.00 0.00 C ATOM 717 CD ARG A 47 7.065 7.838 16.795 1.00 0.00 C ATOM 718 NE ARG A 47 7.246 8.225 18.212 1.00 0.00 N ATOM 719 CZ ARG A 47 7.830 9.363 18.611 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.291 10.234 17.702 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.952 9.631 19.918 1.00 0.00 N ATOM 0 H ARG A 47 8.911 6.057 13.491 1.00 0.00 H new ATOM 0 HA ARG A 47 10.791 6.314 15.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.842 5.552 15.597 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.780 5.639 17.075 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.211 8.037 16.730 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.452 7.987 15.151 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.556 8.636 16.254 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.431 6.954 16.729 1.00 0.00 H new ATOM 0 HE ARG A 47 6.905 7.585 18.930 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.197 10.030 16.707 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.736 11.100 18.005 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.600 8.969 20.609 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.397 10.497 20.222 1.00 0.00 H new ATOM 735 N ILE A 48 9.432 3.500 14.632 1.00 0.00 N ATOM 736 CA ILE A 48 9.594 2.056 14.593 1.00 0.00 C ATOM 737 C ILE A 48 11.063 1.718 14.332 1.00 0.00 C ATOM 738 O ILE A 48 11.865 2.605 14.044 1.00 0.00 O ATOM 739 CB ILE A 48 8.631 1.437 13.578 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.776 2.102 12.208 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.189 1.486 14.089 1.00 0.00 C ATOM 742 CD1 ILE A 48 7.819 1.476 11.191 1.00 0.00 C ATOM 0 H ILE A 48 8.646 3.856 14.088 1.00 0.00 H new ATOM 0 HA ILE A 48 9.332 1.617 15.556 1.00 0.00 H new ATOM 0 HB ILE A 48 8.894 0.386 13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.573 3.169 12.295 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.803 2.000 11.857 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.525 1.040 13.349 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.115 0.931 15.024 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.898 2.523 14.259 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.942 1.967 10.226 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.041 0.414 11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.792 1.601 11.533 1.00 0.00 H new ATOM 754 N SER A 49 11.371 0.435 14.443 1.00 0.00 N ATOM 755 CA SER A 49 12.729 -0.031 14.222 1.00 0.00 C ATOM 756 C SER A 49 12.837 -0.698 12.850 1.00 0.00 C ATOM 757 O SER A 49 11.833 -0.882 12.164 1.00 0.00 O ATOM 758 CB SER A 49 13.163 -1.004 15.321 1.00 0.00 C ATOM 759 OG SER A 49 13.970 -0.368 16.309 1.00 0.00 O ATOM 0 H SER A 49 10.703 -0.297 14.683 1.00 0.00 H new ATOM 0 HA SER A 49 13.395 0.831 14.253 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.280 -1.433 15.795 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.718 -1.830 14.876 1.00 0.00 H new ATOM 0 HG SER A 49 14.225 -1.021 16.993 1.00 0.00 H new ATOM 765 N GLN A 50 14.065 -1.042 12.490 1.00 0.00 N ATOM 766 CA GLN A 50 14.318 -1.685 11.211 1.00 0.00 C ATOM 767 C GLN A 50 13.341 -2.843 10.997 1.00 0.00 C ATOM 768 O GLN A 50 12.699 -2.933 9.951 1.00 0.00 O ATOM 769 CB GLN A 50 15.767 -2.166 11.116 1.00 0.00 C ATOM 770 CG GLN A 50 16.061 -2.750 9.733 1.00 0.00 C ATOM 771 CD GLN A 50 15.709 -1.751 8.629 1.00 0.00 C ATOM 772 OE1 GLN A 50 16.544 -1.009 8.139 1.00 0.00 O ATOM 773 NE2 GLN A 50 14.429 -1.773 8.268 1.00 0.00 N ATOM 0 H GLN A 50 14.896 -0.888 13.061 1.00 0.00 H new ATOM 0 HA GLN A 50 14.161 -0.951 10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.444 -1.335 11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.955 -2.920 11.880 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.116 -3.017 9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.490 -3.668 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.783 -2.420 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.094 -1.143 7.539 1.00 0.00 H new ATOM 782 N SER A 51 13.258 -3.700 12.004 1.00 0.00 N ATOM 783 CA SER A 51 12.370 -4.848 11.939 1.00 0.00 C ATOM 784 C SER A 51 11.058 -4.457 11.257 1.00 0.00 C ATOM 785 O SER A 51 10.756 -4.934 10.164 1.00 0.00 O ATOM 786 CB SER A 51 12.095 -5.411 13.335 1.00 0.00 C ATOM 787 OG SER A 51 10.960 -6.273 13.349 1.00 0.00 O ATOM 0 H SER A 51 13.791 -3.622 12.870 1.00 0.00 H new ATOM 0 HA SER A 51 12.859 -5.626 11.353 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.970 -5.959 13.684 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.934 -4.589 14.032 1.00 0.00 H new ATOM 0 HG SER A 51 10.819 -6.613 14.257 1.00 0.00 H new ATOM 793 N GLN A 52 10.313 -3.592 11.929 1.00 0.00 N ATOM 794 CA GLN A 52 9.040 -3.131 11.401 1.00 0.00 C ATOM 795 C GLN A 52 9.156 -2.855 9.901 1.00 0.00 C ATOM 796 O GLN A 52 8.629 -3.609 9.085 1.00 0.00 O ATOM 797 CB GLN A 52 8.553 -1.889 12.151 1.00 0.00 C ATOM 798 CG GLN A 52 7.251 -2.177 12.901 1.00 0.00 C ATOM 799 CD GLN A 52 7.343 -3.496 13.672 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.734 -4.493 13.322 1.00 0.00 O ATOM 801 NE2 GLN A 52 8.136 -3.444 14.739 1.00 0.00 N ATOM 0 H GLN A 52 10.567 -3.198 12.835 1.00 0.00 H new ATOM 0 HA GLN A 52 8.301 -3.918 11.549 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.318 -1.562 12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.398 -1.072 11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.037 -1.362 13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.422 -2.222 12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.617 -2.576 14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.263 -4.272 15.321 1.00 0.00 H new ATOM 810 N LYS A 53 9.851 -1.773 9.582 1.00 0.00 N ATOM 811 CA LYS A 53 10.043 -1.388 8.194 1.00 0.00 C ATOM 812 C LYS A 53 10.321 -2.639 7.357 1.00 0.00 C ATOM 813 O LYS A 53 9.688 -2.851 6.324 1.00 0.00 O ATOM 814 CB LYS A 53 11.131 -0.318 8.081 1.00 0.00 C ATOM 815 CG LYS A 53 10.763 0.926 8.892 1.00 0.00 C ATOM 816 CD LYS A 53 11.685 2.097 8.548 1.00 0.00 C ATOM 817 CE LYS A 53 11.239 3.374 9.261 1.00 0.00 C ATOM 818 NZ LYS A 53 11.812 3.435 10.624 1.00 0.00 N ATOM 0 H LYS A 53 10.288 -1.150 10.261 1.00 0.00 H new ATOM 0 HA LYS A 53 9.137 -0.932 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.080 -0.720 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.271 -0.046 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.728 1.202 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.833 0.704 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.708 1.855 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.686 2.259 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.555 4.246 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.151 3.405 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.174 3.973 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.926 2.471 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.739 3.905 10.590 1.00 0.00 H new ATOM 832 N GLU A 54 11.267 -3.434 7.835 1.00 0.00 N ATOM 833 CA GLU A 54 11.636 -4.657 7.143 1.00 0.00 C ATOM 834 C GLU A 54 10.400 -5.530 6.912 1.00 0.00 C ATOM 835 O GLU A 54 10.161 -5.992 5.797 1.00 0.00 O ATOM 836 CB GLU A 54 12.710 -5.423 7.918 1.00 0.00 C ATOM 837 CG GLU A 54 14.108 -5.088 7.393 1.00 0.00 C ATOM 838 CD GLU A 54 14.576 -6.132 6.377 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.509 -7.331 6.723 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.991 -5.707 5.277 1.00 0.00 O ATOM 0 H GLU A 54 11.789 -3.255 8.693 1.00 0.00 H new ATOM 0 HA GLU A 54 12.055 -4.390 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.646 -5.174 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.532 -6.495 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.100 -4.102 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.812 -5.043 8.224 1.00 0.00 H new ATOM 847 N HIS A 55 9.647 -5.729 7.984 1.00 0.00 N ATOM 848 CA HIS A 55 8.442 -6.537 7.912 1.00 0.00 C ATOM 849 C HIS A 55 7.509 -5.974 6.839 1.00 0.00 C ATOM 850 O HIS A 55 7.166 -6.668 5.883 1.00 0.00 O ATOM 851 CB HIS A 55 7.773 -6.639 9.285 1.00 0.00 C ATOM 852 CG HIS A 55 6.572 -7.554 9.317 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.636 -8.888 8.955 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.277 -7.312 9.671 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.429 -9.416 9.089 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.588 -8.438 9.532 1.00 0.00 N ATOM 0 H HIS A 55 9.848 -5.345 8.907 1.00 0.00 H new ATOM 0 HA HIS A 55 8.700 -7.555 7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.506 -6.993 10.010 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.466 -5.643 9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.880 -6.366 10.007 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.158 -10.441 8.884 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.593 -8.553 9.725 1.00 0.00 H new ATOM 864 N TYR A 56 7.125 -4.721 7.032 1.00 0.00 N ATOM 865 CA TYR A 56 6.239 -4.056 6.092 1.00 0.00 C ATOM 866 C TYR A 56 6.802 -4.116 4.671 1.00 0.00 C ATOM 867 O TYR A 56 6.048 -4.196 3.703 1.00 0.00 O ATOM 868 CB TYR A 56 6.169 -2.595 6.539 1.00 0.00 C ATOM 869 CG TYR A 56 5.300 -2.364 7.777 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.011 -2.855 7.817 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.806 -1.664 8.854 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.193 -2.638 8.983 1.00 0.00 C ATOM 873 CE2 TYR A 56 4.988 -1.447 10.019 1.00 0.00 C ATOM 874 CZ TYR A 56 3.722 -1.945 10.026 1.00 0.00 C ATOM 875 OH TYR A 56 2.950 -1.740 11.127 1.00 0.00 O ATOM 0 H TYR A 56 7.411 -4.148 7.826 1.00 0.00 H new ATOM 0 HA TYR A 56 5.261 -4.537 6.081 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.179 -2.240 6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.781 -1.993 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.615 -3.402 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.815 -1.279 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.183 -3.017 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.371 -0.901 10.868 1.00 0.00 H new ATOM 0 HH TYR A 56 3.458 -1.231 11.793 1.00 0.00 H new ATOM 885 N LYS A 57 8.124 -4.074 4.590 1.00 0.00 N ATOM 886 CA LYS A 57 8.798 -4.122 3.304 1.00 0.00 C ATOM 887 C LYS A 57 8.625 -5.514 2.694 1.00 0.00 C ATOM 888 O LYS A 57 8.407 -5.647 1.491 1.00 0.00 O ATOM 889 CB LYS A 57 10.259 -3.690 3.447 1.00 0.00 C ATOM 890 CG LYS A 57 11.012 -3.855 2.126 1.00 0.00 C ATOM 891 CD LYS A 57 12.302 -3.033 2.123 1.00 0.00 C ATOM 892 CE LYS A 57 13.403 -3.737 2.917 1.00 0.00 C ATOM 893 NZ LYS A 57 14.696 -3.647 2.203 1.00 0.00 N ATOM 0 H LYS A 57 8.747 -4.007 5.395 1.00 0.00 H new ATOM 0 HA LYS A 57 8.347 -3.412 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.304 -2.649 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.743 -4.284 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.247 -4.907 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.375 -3.542 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.634 -2.874 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.112 -2.049 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.494 -3.284 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.137 -4.783 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.432 -4.130 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.610 -4.100 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.956 -2.648 2.080 1.00 0.00 H new ATOM 907 N LYS A 58 8.729 -6.518 3.553 1.00 0.00 N ATOM 908 CA LYS A 58 8.587 -7.896 3.114 1.00 0.00 C ATOM 909 C LYS A 58 7.147 -8.134 2.653 1.00 0.00 C ATOM 910 O LYS A 58 6.919 -8.725 1.599 1.00 0.00 O ATOM 911 CB LYS A 58 9.048 -8.858 4.211 1.00 0.00 C ATOM 912 CG LYS A 58 8.453 -10.252 4.004 1.00 0.00 C ATOM 913 CD LYS A 58 7.167 -10.425 4.814 1.00 0.00 C ATOM 914 CE LYS A 58 7.453 -10.362 6.316 1.00 0.00 C ATOM 915 NZ LYS A 58 7.313 -11.703 6.926 1.00 0.00 N ATOM 0 H LYS A 58 8.910 -6.404 4.550 1.00 0.00 H new ATOM 0 HA LYS A 58 9.233 -8.092 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.136 -8.920 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.750 -8.473 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.244 -10.409 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.179 -11.009 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.454 -9.646 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.704 -11.380 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.461 -9.982 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.765 -9.665 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.510 -11.643 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.344 -12.051 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.986 -12.359 6.481 1.00 0.00 H new ATOM 929 N LEU A 59 6.214 -7.662 3.466 1.00 0.00 N ATOM 930 CA LEU A 59 4.803 -7.816 3.155 1.00 0.00 C ATOM 931 C LEU A 59 4.516 -7.196 1.786 1.00 0.00 C ATOM 932 O LEU A 59 3.880 -7.821 0.939 1.00 0.00 O ATOM 933 CB LEU A 59 3.940 -7.244 4.282 1.00 0.00 C ATOM 934 CG LEU A 59 4.110 -7.898 5.655 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.482 -7.038 6.753 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.556 -9.324 5.655 1.00 0.00 C ATOM 0 H LEU A 59 6.407 -7.173 4.340 1.00 0.00 H new ATOM 0 HA LEU A 59 4.541 -8.872 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.161 -6.181 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.893 -7.327 3.989 1.00 0.00 H new ATOM 0 HG LEU A 59 5.176 -7.967 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.617 -7.525 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.964 -6.060 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.417 -6.915 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.689 -9.766 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.495 -9.302 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.089 -9.921 4.915 1.00 0.00 H new ATOM 948 N ALA A 60 4.999 -5.975 1.612 1.00 0.00 N ATOM 949 CA ALA A 60 4.803 -5.263 0.361 1.00 0.00 C ATOM 950 C ALA A 60 5.095 -6.206 -0.808 1.00 0.00 C ATOM 951 O ALA A 60 4.401 -6.176 -1.823 1.00 0.00 O ATOM 952 CB ALA A 60 5.687 -4.015 0.338 1.00 0.00 C ATOM 0 H ALA A 60 5.526 -5.460 2.317 1.00 0.00 H new ATOM 0 HA ALA A 60 3.769 -4.931 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.539 -3.482 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.420 -3.364 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.733 -4.308 0.428 1.00 0.00 H new ATOM 958 N GLU A 61 6.124 -7.021 -0.626 1.00 0.00 N ATOM 959 CA GLU A 61 6.517 -7.971 -1.653 1.00 0.00 C ATOM 960 C GLU A 61 5.427 -9.028 -1.844 1.00 0.00 C ATOM 961 O GLU A 61 5.141 -9.434 -2.969 1.00 0.00 O ATOM 962 CB GLU A 61 7.859 -8.622 -1.313 1.00 0.00 C ATOM 963 CG GLU A 61 8.797 -7.622 -0.634 1.00 0.00 C ATOM 964 CD GLU A 61 10.261 -8.009 -0.853 1.00 0.00 C ATOM 965 OE1 GLU A 61 10.595 -9.171 -0.533 1.00 0.00 O ATOM 966 OE2 GLU A 61 11.014 -7.135 -1.334 1.00 0.00 O ATOM 0 H GLU A 61 6.697 -7.043 0.217 1.00 0.00 H new ATOM 0 HA GLU A 61 6.640 -7.431 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.697 -9.477 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.324 -9.002 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.618 -6.623 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.583 -7.584 0.434 1.00 0.00 H new ATOM 973 N GLU A 62 4.848 -9.443 -0.726 1.00 0.00 N ATOM 974 CA GLU A 62 3.796 -10.444 -0.756 1.00 0.00 C ATOM 975 C GLU A 62 2.491 -9.829 -1.265 1.00 0.00 C ATOM 976 O GLU A 62 1.791 -10.432 -2.077 1.00 0.00 O ATOM 977 CB GLU A 62 3.602 -11.077 0.623 1.00 0.00 C ATOM 978 CG GLU A 62 2.305 -11.887 0.678 1.00 0.00 C ATOM 979 CD GLU A 62 2.567 -13.309 1.179 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.166 -14.083 0.402 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.164 -13.588 2.329 1.00 0.00 O ATOM 0 H GLU A 62 5.088 -9.104 0.206 1.00 0.00 H new ATOM 0 HA GLU A 62 4.094 -11.235 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.449 -11.724 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.581 -10.298 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.591 -11.392 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.853 -11.924 -0.313 1.00 0.00 H new ATOM 988 N GLN A 63 2.204 -8.635 -0.767 1.00 0.00 N ATOM 989 CA GLN A 63 0.995 -7.931 -1.161 1.00 0.00 C ATOM 990 C GLN A 63 0.965 -7.737 -2.678 1.00 0.00 C ATOM 991 O GLN A 63 -0.036 -8.038 -3.326 1.00 0.00 O ATOM 992 CB GLN A 63 0.880 -6.590 -0.434 1.00 0.00 C ATOM 993 CG GLN A 63 -0.142 -6.667 0.702 1.00 0.00 C ATOM 994 CD GLN A 63 -1.532 -6.250 0.217 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.367 -7.068 -0.134 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.734 -4.936 0.217 1.00 0.00 N ATOM 0 H GLN A 63 2.788 -8.137 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 63 0.135 -8.537 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.853 -6.305 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.586 -5.814 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.179 -7.683 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.170 -6.020 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.993 -4.306 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.630 -4.558 -0.089 1.00 0.00 H new ATOM 1005 N GLN A 64 2.074 -7.234 -3.201 1.00 0.00 N ATOM 1006 CA GLN A 64 2.187 -6.996 -4.629 1.00 0.00 C ATOM 1007 C GLN A 64 2.186 -8.324 -5.391 1.00 0.00 C ATOM 1008 O GLN A 64 1.872 -8.361 -6.579 1.00 0.00 O ATOM 1009 CB GLN A 64 3.441 -6.181 -4.952 1.00 0.00 C ATOM 1010 CG GLN A 64 3.376 -4.796 -4.305 1.00 0.00 C ATOM 1011 CD GLN A 64 4.694 -4.042 -4.489 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.049 -3.616 -5.576 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.398 -3.902 -3.369 1.00 0.00 N ATOM 0 H GLN A 64 2.902 -6.985 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 64 1.323 -6.414 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.325 -6.711 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.544 -6.077 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.560 -4.223 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.156 -4.897 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.042 -4.283 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.293 -3.414 -3.387 1.00 0.00 H new ATOM 1022 N ARG A 65 2.539 -9.380 -4.674 1.00 0.00 N ATOM 1023 CA ARG A 65 2.583 -10.706 -5.267 1.00 0.00 C ATOM 1024 C ARG A 65 1.167 -11.267 -5.418 1.00 0.00 C ATOM 1025 O ARG A 65 0.820 -11.813 -6.464 1.00 0.00 O ATOM 1026 CB ARG A 65 3.415 -11.664 -4.413 1.00 0.00 C ATOM 1027 CG ARG A 65 2.894 -13.098 -4.532 1.00 0.00 C ATOM 1028 CD ARG A 65 3.824 -14.081 -3.817 1.00 0.00 C ATOM 1029 NE ARG A 65 3.084 -15.312 -3.464 1.00 0.00 N ATOM 1030 CZ ARG A 65 2.893 -16.341 -4.301 1.00 0.00 C ATOM 1031 NH1 ARG A 65 3.386 -16.291 -5.546 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.208 -17.418 -3.894 1.00 0.00 N ATOM 0 H ARG A 65 2.797 -9.345 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 65 3.048 -10.615 -6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.458 -11.625 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.384 -11.347 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.893 -13.162 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.809 -13.372 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.670 -14.327 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.231 -13.620 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 65 2.694 -15.382 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.906 -15.470 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.241 -17.074 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.832 -17.455 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.063 -18.201 -4.531 1.00 0.00 H new ATOM 1046 N GLN A 66 0.387 -11.111 -4.358 1.00 0.00 N ATOM 1047 CA GLN A 66 -0.983 -11.595 -4.359 1.00 0.00 C ATOM 1048 C GLN A 66 -1.840 -10.757 -5.310 1.00 0.00 C ATOM 1049 O GLN A 66 -2.604 -11.302 -6.105 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.567 -11.591 -2.945 1.00 0.00 C ATOM 1051 CG GLN A 66 -0.997 -12.741 -2.113 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.470 -12.653 -0.660 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.290 -13.431 -0.200 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.910 -11.666 0.033 1.00 0.00 N ATOM 0 H GLN A 66 0.678 -10.656 -3.493 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.984 -12.626 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.345 -10.641 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.652 -11.677 -2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.306 -13.694 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.092 -12.714 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.230 -11.051 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.160 -11.524 1.012 1.00 0.00 H new ATOM 1063 N TYR A 67 -1.685 -9.446 -5.196 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.436 -8.528 -6.035 1.00 0.00 C ATOM 1065 C TYR A 67 -2.312 -8.909 -7.512 1.00 0.00 C ATOM 1066 O TYR A 67 -3.185 -8.585 -8.315 1.00 0.00 O ATOM 1067 CB TYR A 67 -1.805 -7.150 -5.822 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.180 -6.122 -6.891 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -1.696 -6.255 -8.176 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.003 -5.062 -6.570 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.049 -5.287 -9.183 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -3.356 -4.094 -7.576 1.00 0.00 C ATOM 1073 CZ TYR A 67 -2.861 -4.255 -8.833 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.195 -3.341 -9.783 1.00 0.00 O ATOM 0 H TYR A 67 -1.050 -8.998 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.494 -8.548 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.107 -6.770 -4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.721 -7.258 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.052 -7.085 -8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.382 -4.958 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.677 -5.379 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.999 -3.259 -7.338 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.781 -2.661 -9.391 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.221 -9.592 -7.824 1.00 0.00 N ATOM 1085 CA LYS A 68 -0.972 -10.021 -9.190 1.00 0.00 C ATOM 1086 C LYS A 68 -2.025 -11.054 -9.596 1.00 0.00 C ATOM 1087 O LYS A 68 -2.739 -10.865 -10.579 1.00 0.00 O ATOM 1088 CB LYS A 68 0.467 -10.517 -9.342 1.00 0.00 C ATOM 1089 CG LYS A 68 0.972 -10.306 -10.771 1.00 0.00 C ATOM 1090 CD LYS A 68 0.740 -11.554 -11.625 1.00 0.00 C ATOM 1091 CE LYS A 68 1.238 -11.340 -13.055 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.715 -11.406 -13.105 1.00 0.00 N ATOM 0 H LYS A 68 -0.499 -9.859 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.069 -9.180 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.114 -9.988 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.520 -11.575 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.460 -9.454 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.035 -10.066 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.256 -12.405 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.322 -11.797 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.812 -12.098 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.899 -10.372 -13.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.033 -11.326 -14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.116 -10.625 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.036 -12.313 -12.710 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.088 -12.125 -8.817 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.041 -13.188 -9.083 1.00 0.00 C ATOM 1108 C VAL A 69 -4.461 -12.659 -8.873 1.00 0.00 C ATOM 1109 O VAL A 69 -5.364 -12.968 -9.649 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.723 -14.406 -8.213 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.212 -14.591 -8.060 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.403 -14.297 -6.847 1.00 0.00 C ATOM 0 H VAL A 69 -1.494 -12.278 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.966 -13.517 -10.120 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.120 -15.289 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.013 -15.463 -7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.762 -14.736 -9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.783 -13.705 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.161 -15.175 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.051 -13.401 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.483 -14.237 -6.982 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.614 -11.870 -7.820 1.00 0.00 N ATOM 1123 CA HIS A 70 -5.909 -11.294 -7.498 1.00 0.00 C ATOM 1124 C HIS A 70 -6.520 -10.670 -8.755 1.00 0.00 C ATOM 1125 O HIS A 70 -7.714 -10.822 -9.010 1.00 0.00 O ATOM 1126 CB HIS A 70 -5.790 -10.300 -6.341 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.491 -10.943 -5.008 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.686 -10.293 -3.802 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.010 -12.183 -4.704 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -5.335 -11.114 -2.823 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -4.915 -12.284 -3.384 1.00 0.00 N ATOM 0 H HIS A 70 -3.863 -11.616 -7.179 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.585 -12.079 -7.158 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.003 -9.582 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.720 -9.738 -6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.751 -12.952 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.375 -10.895 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.583 -13.102 -2.873 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.674 -9.982 -9.506 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.115 -9.335 -10.730 1.00 0.00 C ATOM 1141 C LEU A 71 -6.704 -10.385 -11.674 1.00 0.00 C ATOM 1142 O LEU A 71 -7.695 -10.127 -12.354 1.00 0.00 O ATOM 1143 CB LEU A 71 -4.975 -8.523 -11.348 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.377 -7.212 -12.027 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.131 -6.300 -11.056 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.160 -6.516 -12.639 1.00 0.00 C ATOM 0 H LEU A 71 -4.685 -9.858 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.907 -8.618 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.251 -8.297 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.466 -9.148 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.059 -7.446 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.405 -5.375 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.033 -6.804 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.493 -6.070 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.473 -5.587 -13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.435 -6.296 -11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.703 -7.169 -13.383 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.068 -11.547 -11.684 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.516 -12.638 -12.533 1.00 0.00 C ATOM 1160 C ASP A 72 -7.786 -13.251 -11.941 1.00 0.00 C ATOM 1161 O ASP A 72 -8.722 -13.576 -12.670 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.456 -13.738 -12.622 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.764 -13.861 -13.981 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.494 -14.067 -14.974 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.519 -13.746 -13.996 1.00 0.00 O ATOM 0 H ASP A 72 -5.246 -11.757 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.702 -12.236 -13.529 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.698 -13.554 -11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.924 -14.693 -12.382 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.778 -13.392 -10.623 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.917 -13.960 -9.924 1.00 0.00 C ATOM 1172 C LEU A 73 -10.154 -13.100 -10.190 1.00 0.00 C ATOM 1173 O LEU A 73 -11.267 -13.617 -10.276 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.600 -14.138 -8.438 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.295 -14.868 -8.113 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.318 -15.425 -6.689 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.002 -15.955 -9.149 1.00 0.00 C ATOM 0 H LEU A 73 -7.000 -13.122 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.135 -14.959 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.567 -13.153 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.423 -14.682 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.479 -14.147 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.379 -15.939 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.446 -14.607 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.146 -16.127 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.069 -16.458 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.816 -16.680 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.912 -15.502 -10.136 1.00 0.00 H new ATOM 1189 N TRP A 74 -9.918 -11.802 -10.312 1.00 0.00 N ATOM 1190 CA TRP A 74 -10.999 -10.865 -10.567 1.00 0.00 C ATOM 1191 C TRP A 74 -11.452 -11.048 -12.017 1.00 0.00 C ATOM 1192 O TRP A 74 -12.609 -10.791 -12.347 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.568 -9.432 -10.252 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.441 -8.361 -10.909 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.571 -7.815 -10.440 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.207 -7.724 -12.183 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.081 -6.877 -11.314 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.224 -6.819 -12.408 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.169 -7.905 -13.114 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.305 -6.026 -13.558 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.264 -7.105 -14.259 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.282 -6.190 -14.500 1.00 0.00 C ATOM 0 H TRP A 74 -8.994 -11.377 -10.239 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.846 -11.065 -9.910 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.585 -9.288 -9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.536 -9.294 -10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.026 -8.076 -9.496 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.930 -6.327 -11.182 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.362 -8.606 -12.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.113 -5.325 -13.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.492 -7.206 -15.008 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.284 -5.608 -15.410 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.517 -11.491 -12.844 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.805 -11.712 -14.251 1.00 0.00 C ATOM 1215 C VAL A 75 -11.639 -12.985 -14.403 1.00 0.00 C ATOM 1216 O VAL A 75 -12.628 -13.000 -15.134 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.502 -11.752 -15.052 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.725 -12.379 -16.430 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.892 -10.354 -15.178 1.00 0.00 C ATOM 0 H VAL A 75 -9.559 -11.703 -12.567 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.394 -10.888 -14.654 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.794 -12.378 -14.509 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.783 -12.395 -16.979 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.093 -13.398 -16.311 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.457 -11.791 -16.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.967 -10.411 -15.752 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.595 -9.695 -15.687 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.679 -9.959 -14.185 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.210 -14.023 -13.700 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.905 -15.298 -13.747 1.00 0.00 C ATOM 1231 C LYS A 76 -13.388 -15.077 -13.440 1.00 0.00 C ATOM 1232 O LYS A 76 -14.230 -15.897 -13.805 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.230 -16.311 -12.821 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.832 -16.670 -13.328 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.092 -17.551 -12.318 1.00 0.00 C ATOM 1236 CE LYS A 76 -9.547 -19.008 -12.425 1.00 0.00 C ATOM 1237 NZ LYS A 76 -8.836 -19.693 -13.528 1.00 0.00 N ATOM 0 H LYS A 76 -10.389 -14.007 -13.094 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.846 -15.727 -14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.161 -15.899 -11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.840 -17.212 -12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.910 -17.191 -14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.261 -15.759 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.018 -17.488 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.273 -17.183 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.356 -19.525 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.623 -19.048 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.156 -20.681 -13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.039 -19.209 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.812 -19.671 -13.347 1.00 0.00 H new ATOM 1251 N SER A 77 -13.662 -13.966 -12.774 1.00 0.00 N ATOM 1252 CA SER A 77 -15.029 -13.627 -12.414 1.00 0.00 C ATOM 1253 C SER A 77 -15.661 -12.768 -13.511 1.00 0.00 C ATOM 1254 O SER A 77 -16.861 -12.864 -13.765 1.00 0.00 O ATOM 1255 CB SER A 77 -15.079 -12.895 -11.071 1.00 0.00 C ATOM 1256 OG SER A 77 -14.334 -13.574 -10.064 1.00 0.00 O ATOM 0 H SER A 77 -12.961 -13.288 -12.474 1.00 0.00 H new ATOM 0 HA SER A 77 -15.596 -14.552 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.686 -11.886 -11.194 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.116 -12.797 -10.750 1.00 0.00 H new ATOM 0 HG SER A 77 -13.376 -13.492 -10.254 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.826 -11.948 -14.131 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.288 -11.073 -15.195 1.00 0.00 C ATOM 1264 C LEU A 78 -16.169 -11.871 -16.159 1.00 0.00 C ATOM 1265 O LEU A 78 -15.745 -12.898 -16.687 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.104 -10.382 -15.873 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.477 -9.217 -15.104 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.445 -8.484 -15.964 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.553 -8.271 -14.568 1.00 0.00 C ATOM 0 H LEU A 78 -13.832 -11.871 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.904 -10.271 -14.788 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.331 -11.128 -16.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.431 -10.015 -16.846 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.947 -9.623 -14.242 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.015 -7.661 -15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.655 -9.177 -16.254 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.929 -8.092 -16.858 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.080 -7.452 -14.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.131 -7.869 -15.400 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.215 -8.817 -13.896 1.00 0.00 H new ATOM 1281 N SER A 79 -17.378 -11.368 -16.360 1.00 0.00 N ATOM 1282 CA SER A 79 -18.322 -12.020 -17.251 1.00 0.00 C ATOM 1283 C SER A 79 -17.671 -12.265 -18.614 1.00 0.00 C ATOM 1284 O SER A 79 -16.516 -11.901 -18.829 1.00 0.00 O ATOM 1285 CB SER A 79 -19.594 -11.186 -17.413 1.00 0.00 C ATOM 1286 OG SER A 79 -20.763 -11.922 -17.061 1.00 0.00 O ATOM 0 H SER A 79 -17.726 -10.516 -15.921 1.00 0.00 H new ATOM 0 HA SER A 79 -18.602 -12.977 -16.811 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.525 -10.295 -16.789 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.676 -10.847 -18.446 1.00 0.00 H new ATOM 0 HG SER A 79 -21.517 -11.620 -17.609 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.461 -12.897 -19.523 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.974 -13.195 -20.859 1.00 0.00 C ATOM 1294 C PRO A 80 -17.933 -11.931 -21.722 1.00 0.00 C ATOM 1295 O PRO A 80 -17.302 -11.917 -22.778 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.925 -14.251 -21.398 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.173 -14.169 -20.534 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.834 -13.343 -19.304 1.00 0.00 C ATOM 0 HA PRO A 80 -16.948 -13.564 -20.860 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.162 -14.065 -22.445 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.477 -15.243 -21.344 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.992 -13.710 -21.088 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.503 -15.167 -20.245 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.513 -12.497 -19.196 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.917 -13.936 -18.393 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.612 -10.902 -21.239 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.661 -9.637 -21.953 1.00 0.00 C ATOM 1308 C GLN A 81 -17.572 -8.694 -21.438 1.00 0.00 C ATOM 1309 O GLN A 81 -16.925 -8.000 -22.221 1.00 0.00 O ATOM 1310 CB GLN A 81 -20.044 -8.993 -21.834 1.00 0.00 C ATOM 1311 CG GLN A 81 -21.141 -9.965 -22.274 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.473 -9.629 -21.601 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.636 -8.598 -20.968 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.414 -10.553 -21.772 1.00 0.00 N ATOM 0 H GLN A 81 -19.133 -10.918 -20.362 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.476 -9.832 -23.009 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.218 -8.685 -20.803 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.084 -8.092 -22.447 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.256 -9.923 -23.357 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.850 -10.985 -22.023 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.211 -11.393 -22.313 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.339 -10.421 -21.362 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.401 -8.700 -20.124 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.401 -7.855 -19.495 1.00 0.00 C ATOM 1325 C ASP A 82 -15.006 -8.381 -19.837 1.00 0.00 C ATOM 1326 O ASP A 82 -14.161 -7.636 -20.330 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.550 -7.864 -17.972 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.728 -7.051 -17.432 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.817 -5.863 -17.810 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.512 -7.636 -16.654 1.00 0.00 O ATOM 0 H ASP A 82 -17.939 -9.277 -19.478 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.539 -6.839 -19.864 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.658 -8.896 -17.639 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.630 -7.480 -17.530 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.808 -9.662 -19.562 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.530 -10.297 -19.834 1.00 0.00 C ATOM 1337 C ARG A 83 -13.134 -10.088 -21.298 1.00 0.00 C ATOM 1338 O ARG A 83 -11.960 -9.886 -21.604 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.586 -11.797 -19.538 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.218 -12.320 -19.093 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.364 -13.584 -18.244 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.553 -14.679 -18.822 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.884 -15.354 -19.930 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -13.012 -15.052 -20.587 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -11.087 -16.332 -20.382 1.00 0.00 N ATOM 0 H ARG A 83 -15.512 -10.277 -19.154 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.786 -9.837 -19.183 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.324 -11.990 -18.759 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.913 -12.335 -20.428 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.604 -12.534 -19.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.699 -11.551 -18.521 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.044 -13.384 -17.221 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.412 -13.882 -18.198 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.688 -14.935 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.619 -14.308 -20.243 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.264 -15.566 -21.431 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.228 -16.562 -19.882 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.339 -16.846 -21.226 1.00 0.00 H new ATOM 1359 N ALA A 84 -14.137 -10.144 -22.162 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.908 -9.963 -23.586 1.00 0.00 C ATOM 1361 C ALA A 84 -13.286 -8.587 -23.827 1.00 0.00 C ATOM 1362 O ALA A 84 -12.526 -8.403 -24.777 1.00 0.00 O ATOM 1363 CB ALA A 84 -15.226 -10.148 -24.342 1.00 0.00 C ATOM 0 H ALA A 84 -15.109 -10.312 -21.904 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.209 -10.711 -23.961 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.055 -10.012 -25.410 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.612 -11.151 -24.161 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.951 -9.412 -23.994 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.631 -7.655 -22.951 1.00 0.00 N ATOM 1370 CA ALA A 85 -13.115 -6.300 -23.057 1.00 0.00 C ATOM 1371 C ALA A 85 -11.734 -6.232 -22.401 1.00 0.00 C ATOM 1372 O ALA A 85 -10.744 -5.925 -23.063 1.00 0.00 O ATOM 1373 CB ALA A 85 -14.109 -5.324 -22.424 1.00 0.00 C ATOM 0 H ALA A 85 -14.262 -7.811 -22.165 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.998 -6.015 -24.103 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.722 -4.308 -22.503 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.065 -5.390 -22.944 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.249 -5.578 -21.373 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.713 -6.524 -21.109 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.470 -6.500 -20.357 1.00 0.00 C ATOM 1381 C TYR A 86 -9.321 -7.089 -21.178 1.00 0.00 C ATOM 1382 O TYR A 86 -8.235 -6.514 -21.235 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.704 -7.378 -19.126 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.419 -7.819 -18.423 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.707 -8.901 -18.901 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.972 -7.137 -17.310 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.498 -9.316 -18.239 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.763 -7.552 -16.648 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.085 -8.621 -17.145 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.943 -9.014 -16.520 1.00 0.00 O ATOM 0 H TYR A 86 -12.537 -6.778 -20.564 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.200 -5.477 -20.095 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.325 -6.832 -18.416 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.265 -8.264 -19.425 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.057 -9.436 -19.771 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.529 -6.291 -16.935 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.931 -10.160 -18.603 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.402 -7.026 -15.776 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.770 -8.426 -15.755 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.599 -8.229 -21.793 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.603 -8.903 -22.608 1.00 0.00 C ATOM 1402 C LYS A 87 -8.172 -7.978 -23.747 1.00 0.00 C ATOM 1403 O LYS A 87 -6.983 -7.859 -24.040 1.00 0.00 O ATOM 1404 CB LYS A 87 -9.127 -10.260 -23.082 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.180 -11.388 -22.669 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.929 -12.349 -23.833 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.635 -13.138 -23.625 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.922 -14.586 -23.521 1.00 0.00 N ATOM 0 H LYS A 87 -10.501 -8.703 -21.743 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.712 -9.120 -22.019 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.117 -10.439 -22.661 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.238 -10.252 -24.166 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.233 -10.967 -22.330 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.605 -11.934 -21.827 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.768 -13.038 -23.927 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.871 -11.788 -24.766 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.953 -12.955 -24.455 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.134 -12.795 -22.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.033 -15.107 -23.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.555 -14.757 -22.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.380 -14.913 -24.396 1.00 0.00 H new ATOM 1422 N GLU A 88 -9.162 -7.345 -24.360 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.900 -6.434 -25.461 1.00 0.00 C ATOM 1424 C GLU A 88 -7.691 -5.552 -25.144 1.00 0.00 C ATOM 1425 O GLU A 88 -6.888 -5.252 -26.027 1.00 0.00 O ATOM 1426 CB GLU A 88 -10.132 -5.583 -25.774 1.00 0.00 C ATOM 1427 CG GLU A 88 -10.018 -4.197 -25.136 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.349 -3.447 -25.213 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.906 -3.392 -26.331 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.780 -2.945 -24.152 1.00 0.00 O ATOM 0 H GLU A 88 -10.147 -7.445 -24.115 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.672 -7.024 -26.348 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.244 -5.482 -26.854 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.027 -6.084 -25.406 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.712 -4.296 -24.095 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.243 -3.622 -25.643 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.598 -5.161 -23.881 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.501 -4.319 -23.437 1.00 0.00 C ATOM 1439 C TYR A 89 -5.244 -5.151 -23.174 1.00 0.00 C ATOM 1440 O TYR A 89 -4.127 -4.678 -23.380 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.961 -3.684 -22.124 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.817 -3.295 -21.185 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.158 -2.096 -21.362 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.445 -4.143 -20.162 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.081 -1.729 -20.479 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.368 -3.777 -19.279 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.739 -2.588 -19.481 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.722 -2.242 -18.647 1.00 0.00 O ATOM 0 H TYR A 89 -8.265 -5.412 -23.151 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.255 -3.577 -24.196 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.550 -2.795 -22.349 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.620 -4.381 -21.607 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.450 -1.433 -22.163 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.962 -5.081 -20.024 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.557 -0.793 -20.606 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.067 -4.432 -18.475 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.589 -2.950 -17.982 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.468 -6.377 -22.722 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.367 -7.279 -22.429 1.00 0.00 C ATOM 1460 C ILE A 90 -3.547 -7.506 -23.700 1.00 0.00 C ATOM 1461 O ILE A 90 -2.384 -7.112 -23.772 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.887 -8.569 -21.793 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.658 -8.274 -20.504 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.749 -9.566 -21.565 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.703 -8.107 -19.321 1.00 0.00 C ATOM 0 H ILE A 90 -6.395 -6.766 -22.552 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.697 -6.836 -21.693 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.587 -9.033 -22.487 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.250 -7.367 -20.629 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.357 -9.085 -20.300 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.146 -10.474 -21.112 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.283 -9.811 -22.519 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.006 -9.124 -20.901 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.276 -7.898 -18.418 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.130 -9.024 -19.184 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.021 -7.280 -19.518 1.00 0.00 H new