USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -62:sc= 1.43 USER MOD Set 1.2: A 9 THR OG1 : rot -7:sc= 0.0896 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0318 (180deg=-0.258) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.21 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -1.42! C(o=-1.4!,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0.456 (180deg=0.399) USER MOD Single : A 11 LYS NZ :NH3+ -102:sc= 1.12 (180deg=-0.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00103 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.00591 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.045 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.957) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= 1.21 (180deg=0.21) USER MOD Single : A 31 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 41 GLN : amide:sc= 0.664 K(o=0.66,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 57 SER OG : rot -34:sc= 0.0537 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.199 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 62 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 1.07 (180deg=0.718) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.826 -4.309 -3.950 1.00 0.78 N ATOM 2 CA MET A 1 12.578 -5.113 -2.733 1.00 0.70 C ATOM 3 C MET A 1 11.207 -5.646 -2.497 1.00 0.62 C ATOM 4 O MET A 1 10.243 -5.105 -3.037 1.00 0.68 O ATOM 5 CB MET A 1 13.043 -4.211 -1.577 1.00 0.75 C ATOM 6 CG MET A 1 12.108 -3.049 -1.236 1.00 0.79 C ATOM 7 SD MET A 1 12.797 -1.800 -0.108 1.00 1.10 S ATOM 8 CE MET A 1 11.311 -0.764 -0.234 1.00 0.84 C ATOM 0 H1 MET A 1 13.814 -3.983 -3.955 1.00 0.78 H new ATOM 0 H2 MET A 1 12.649 -4.892 -4.793 1.00 0.78 H new ATOM 0 H3 MET A 1 12.190 -3.486 -3.958 1.00 0.78 H new ATOM 0 HA MET A 1 13.125 -6.050 -2.839 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.170 -4.827 -0.686 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.023 -3.805 -1.827 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.816 -2.555 -2.163 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.199 -3.454 -0.791 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.483 0.182 0.279 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.089 -0.573 -1.284 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.468 -1.279 0.227 1.00 0.84 H new ATOM 20 N GLN A 2 11.058 -6.713 -1.691 1.00 0.59 N ATOM 21 CA GLN A 2 9.733 -7.205 -1.473 1.00 0.56 C ATOM 22 C GLN A 2 9.085 -6.460 -0.358 1.00 0.50 C ATOM 23 O GLN A 2 9.770 -6.107 0.601 1.00 0.60 O ATOM 24 CB GLN A 2 9.627 -8.730 -1.299 1.00 0.71 C ATOM 25 CG GLN A 2 10.153 -9.351 -0.003 1.00 1.15 C ATOM 26 CD GLN A 2 10.063 -10.869 0.057 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.221 -11.538 1.078 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.715 -11.474 -1.110 1.00 1.72 N ATOM 0 H GLN A 2 11.809 -7.212 -1.214 1.00 0.59 H new ATOM 0 HA GLN A 2 9.184 -7.014 -2.395 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.576 -9.003 -1.396 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.156 -9.197 -2.130 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.194 -9.057 0.128 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.596 -8.934 0.836 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.585 -10.917 -1.954 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.584 -12.485 -1.141 1.00 1.72 H new ATOM 37 N ILE A 3 7.762 -6.218 -0.351 1.00 0.44 N ATOM 38 CA ILE A 3 7.015 -5.593 0.696 1.00 0.42 C ATOM 39 C ILE A 3 5.769 -6.408 0.684 1.00 0.40 C ATOM 40 O ILE A 3 5.383 -7.104 -0.253 1.00 0.50 O ATOM 41 CB ILE A 3 6.714 -4.130 0.557 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.931 -3.889 -0.745 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.040 -3.355 0.501 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.064 -2.632 -0.777 1.00 0.72 C ATOM 0 H ILE A 3 7.170 -6.480 -1.139 1.00 0.44 H new ATOM 0 HA ILE A 3 7.588 -5.583 1.623 1.00 0.42 H new ATOM 0 HB ILE A 3 6.119 -3.792 1.405 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.642 -3.838 -1.570 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.292 -4.753 -0.928 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.835 -2.289 0.400 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.603 -3.531 1.418 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.624 -3.695 -0.354 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.559 -2.563 -1.740 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.322 -2.682 0.019 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.692 -1.753 -0.633 1.00 0.72 H new ATOM 56 N PHE A 4 5.079 -6.355 1.838 1.00 0.37 N ATOM 57 CA PHE A 4 3.889 -7.114 2.066 1.00 0.38 C ATOM 58 C PHE A 4 2.697 -6.224 2.165 1.00 0.39 C ATOM 59 O PHE A 4 2.605 -5.426 3.096 1.00 0.60 O ATOM 60 CB PHE A 4 4.111 -7.828 3.410 1.00 0.45 C ATOM 61 CG PHE A 4 5.176 -8.865 3.509 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.279 -9.771 2.479 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.177 -8.774 4.447 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.318 -10.671 2.436 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.191 -9.700 4.414 1.00 1.40 C ATOM 66 CZ PHE A 4 7.318 -10.594 3.376 1.00 0.85 C ATOM 0 H PHE A 4 5.354 -5.773 2.629 1.00 0.37 H new ATOM 0 HA PHE A 4 3.703 -7.810 1.248 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.325 -7.064 4.157 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.168 -8.296 3.694 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.536 -9.776 1.695 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.166 -7.993 5.192 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.348 -11.432 1.670 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.906 -9.727 5.223 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.191 -11.226 3.301 1.00 0.85 H new ATOM 76 N VAL A 5 1.702 -6.289 1.263 1.00 0.35 N ATOM 77 CA VAL A 5 0.458 -5.595 1.388 1.00 0.35 C ATOM 78 C VAL A 5 -0.456 -6.444 2.204 1.00 0.35 C ATOM 79 O VAL A 5 -0.832 -7.555 1.835 1.00 0.46 O ATOM 80 CB VAL A 5 -0.048 -5.110 0.062 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.521 -4.679 0.158 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.942 -4.027 -0.396 1.00 0.56 C ATOM 0 H VAL A 5 1.767 -6.848 0.412 1.00 0.35 H new ATOM 0 HA VAL A 5 0.561 -4.656 1.932 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.076 -5.888 -0.701 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.863 -4.332 -0.817 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.128 -5.527 0.475 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.617 -3.872 0.885 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.627 -3.631 -1.362 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.964 -3.220 0.337 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.938 -4.460 -0.488 1.00 0.56 H new ATOM 92 N LYS A 6 -0.854 -6.035 3.422 1.00 0.36 N ATOM 93 CA LYS A 6 -1.769 -6.809 4.203 1.00 0.39 C ATOM 94 C LYS A 6 -3.139 -6.224 4.194 1.00 0.46 C ATOM 95 O LYS A 6 -3.384 -5.073 4.551 1.00 0.53 O ATOM 96 CB LYS A 6 -1.252 -6.853 5.650 1.00 0.54 C ATOM 97 CG LYS A 6 -2.245 -7.461 6.643 1.00 1.22 C ATOM 98 CD LYS A 6 -2.598 -8.928 6.393 1.00 1.37 C ATOM 99 CE LYS A 6 -3.378 -9.508 7.575 1.00 1.93 C ATOM 100 NZ LYS A 6 -3.842 -10.897 7.363 1.00 2.09 N ATOM 0 H LYS A 6 -0.543 -5.171 3.865 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.831 -7.809 3.773 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.327 -7.428 5.678 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.007 -5.840 5.969 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.832 -7.369 7.648 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.163 -6.874 6.620 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.191 -9.014 5.483 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.686 -9.504 6.235 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.748 -9.477 8.464 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -4.241 -8.873 7.775 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -4.513 -11.157 8.114 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -4.312 -10.969 6.438 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -3.027 -11.543 7.388 1.00 2.09 H new ATOM 114 N THR A 7 -4.101 -7.048 3.742 1.00 0.58 N ATOM 115 CA THR A 7 -5.493 -6.719 3.754 1.00 0.78 C ATOM 116 C THR A 7 -6.142 -6.992 5.067 1.00 0.94 C ATOM 117 O THR A 7 -5.732 -7.835 5.865 1.00 0.99 O ATOM 118 CB THR A 7 -6.335 -7.328 2.672 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.542 -8.724 2.827 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.608 -7.156 1.327 1.00 0.92 C ATOM 0 H THR A 7 -3.905 -7.972 3.356 1.00 0.58 H new ATOM 0 HA THR A 7 -5.462 -5.648 3.556 1.00 0.78 H new ATOM 0 HB THR A 7 -7.299 -6.822 2.720 1.00 0.90 H new ATOM 0 HG1 THR A 7 -5.680 -9.189 2.790 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.209 -7.594 0.530 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.459 -6.095 1.127 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.641 -7.657 1.370 1.00 0.92 H new ATOM 128 N LEU A 8 -7.280 -6.368 5.415 1.00 1.17 N ATOM 129 CA LEU A 8 -8.047 -6.584 6.603 1.00 1.39 C ATOM 130 C LEU A 8 -9.032 -7.675 6.358 1.00 1.44 C ATOM 131 O LEU A 8 -9.529 -8.369 7.244 1.00 1.60 O ATOM 132 CB LEU A 8 -8.750 -5.297 7.066 1.00 1.66 C ATOM 133 CG LEU A 8 -7.845 -4.057 7.147 1.00 2.11 C ATOM 134 CD1 LEU A 8 -8.583 -2.768 7.546 1.00 2.53 C ATOM 135 CD2 LEU A 8 -6.708 -4.214 8.171 1.00 2.43 C ATOM 0 H LEU A 8 -7.697 -5.655 4.817 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.373 -6.880 7.407 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.573 -5.084 6.383 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.188 -5.473 8.048 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.461 -3.975 6.130 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -7.875 -1.940 7.581 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.360 -2.551 6.812 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.038 -2.898 8.528 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -6.102 -3.308 8.184 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -7.131 -4.382 9.161 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -6.084 -5.064 7.894 1.00 2.43 H new ATOM 147 N THR A 9 -9.414 -7.926 5.094 1.00 1.41 N ATOM 148 CA THR A 9 -10.250 -8.974 4.595 1.00 1.51 C ATOM 149 C THR A 9 -9.647 -10.307 4.875 1.00 1.37 C ATOM 150 O THR A 9 -10.347 -11.220 5.313 1.00 1.62 O ATOM 151 CB THR A 9 -10.660 -8.910 3.154 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.642 -8.893 2.164 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.473 -7.609 3.042 1.00 2.08 C ATOM 0 H THR A 9 -9.098 -7.322 4.335 1.00 1.41 H new ATOM 0 HA THR A 9 -11.178 -8.819 5.145 1.00 1.51 H new ATOM 0 HB THR A 9 -11.186 -9.839 2.936 1.00 1.65 H new ATOM 0 HG1 THR A 9 -8.766 -8.820 2.597 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.815 -7.481 2.015 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.335 -7.660 3.708 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.846 -6.763 3.324 1.00 2.08 H new ATOM 161 N GLY A 10 -8.312 -10.427 4.770 1.00 1.18 N ATOM 162 CA GLY A 10 -7.600 -11.626 5.085 1.00 1.22 C ATOM 163 C GLY A 10 -6.285 -11.720 4.388 1.00 0.99 C ATOM 164 O GLY A 10 -5.273 -12.041 5.009 1.00 1.31 O ATOM 0 H GLY A 10 -7.709 -9.666 4.456 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.439 -11.675 6.162 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.211 -12.487 4.815 1.00 1.22 H new ATOM 168 N LYS A 11 -6.205 -11.679 3.046 1.00 0.73 N ATOM 169 CA LYS A 11 -5.019 -11.951 2.294 1.00 0.60 C ATOM 170 C LYS A 11 -3.861 -11.046 2.537 1.00 0.51 C ATOM 171 O LYS A 11 -4.037 -9.881 2.891 1.00 0.63 O ATOM 172 CB LYS A 11 -5.311 -12.183 0.802 1.00 0.75 C ATOM 173 CG LYS A 11 -5.735 -10.931 0.031 1.00 0.87 C ATOM 174 CD LYS A 11 -6.100 -11.342 -1.397 1.00 1.04 C ATOM 175 CE LYS A 11 -5.193 -12.174 -2.305 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.684 -12.271 -3.698 1.00 1.40 N ATOM 0 H LYS A 11 -7.005 -11.445 2.458 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.666 -12.897 2.705 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -4.420 -12.598 0.332 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.097 -12.932 0.712 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.587 -10.456 0.518 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.926 -10.201 0.020 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.042 -11.886 -1.326 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.306 -10.418 -1.937 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.195 -11.736 -2.309 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.098 -13.178 -1.890 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.133 -13.198 -3.844 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.379 -11.518 -3.874 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.885 -12.165 -4.356 1.00 1.40 H new ATOM 190 N THR A 12 -2.655 -11.615 2.360 1.00 0.49 N ATOM 191 CA THR A 12 -1.406 -10.920 2.328 1.00 0.48 C ATOM 192 C THR A 12 -0.832 -11.055 0.959 1.00 0.52 C ATOM 193 O THR A 12 -0.632 -12.141 0.417 1.00 0.72 O ATOM 194 CB THR A 12 -0.408 -11.317 3.376 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.009 -11.410 4.659 1.00 0.77 O ATOM 196 CG2 THR A 12 0.773 -10.336 3.474 1.00 0.78 C ATOM 0 H THR A 12 -2.546 -12.621 2.232 1.00 0.49 H new ATOM 0 HA THR A 12 -1.624 -9.880 2.572 1.00 0.48 H new ATOM 0 HB THR A 12 -0.034 -12.292 3.063 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.333 -11.672 5.319 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.463 -10.673 4.248 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.293 -10.296 2.517 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.401 -9.343 3.727 1.00 0.78 H new ATOM 204 N ILE A 13 -0.524 -9.951 0.256 1.00 0.48 N ATOM 205 CA ILE A 13 0.034 -10.002 -1.060 1.00 0.55 C ATOM 206 C ILE A 13 1.420 -9.456 -1.069 1.00 0.51 C ATOM 207 O ILE A 13 1.723 -8.396 -0.522 1.00 0.56 O ATOM 208 CB ILE A 13 -0.730 -9.316 -2.154 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.246 -9.245 -1.902 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.500 -10.022 -3.501 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.088 -8.334 -2.794 1.00 1.55 C ATOM 0 H ILE A 13 -0.665 -9.004 0.608 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.004 -11.067 -1.289 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.347 -8.296 -2.174 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.645 -10.256 -1.989 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.397 -8.930 -0.869 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.063 -9.509 -4.281 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.562 -10.001 -3.746 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.836 -11.057 -3.432 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.133 -8.394 -2.491 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.740 -7.306 -2.696 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.992 -8.652 -3.832 1.00 1.55 H new ATOM 223 N THR A 14 2.400 -10.213 -1.594 1.00 0.55 N ATOM 224 CA THR A 14 3.788 -9.873 -1.635 1.00 0.54 C ATOM 225 C THR A 14 4.055 -9.126 -2.896 1.00 0.55 C ATOM 226 O THR A 14 3.884 -9.687 -3.978 1.00 0.72 O ATOM 227 CB THR A 14 4.687 -11.067 -1.505 1.00 0.67 C ATOM 228 OG1 THR A 14 4.320 -11.896 -0.411 1.00 1.08 O ATOM 229 CG2 THR A 14 6.166 -10.702 -1.302 1.00 1.03 C ATOM 0 H THR A 14 2.209 -11.121 -2.017 1.00 0.55 H new ATOM 0 HA THR A 14 4.015 -9.245 -0.773 1.00 0.54 H new ATOM 0 HB THR A 14 4.565 -11.590 -2.453 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.819 -11.624 0.387 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.757 -11.614 -1.216 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.518 -10.121 -2.154 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.274 -10.112 -0.392 1.00 1.03 H new ATOM 237 N LEU A 15 4.333 -7.816 -2.776 1.00 0.50 N ATOM 238 CA LEU A 15 4.607 -7.041 -3.946 1.00 0.55 C ATOM 239 C LEU A 15 6.073 -6.770 -3.923 1.00 0.52 C ATOM 240 O LEU A 15 6.705 -6.771 -2.868 1.00 0.58 O ATOM 241 CB LEU A 15 3.777 -5.748 -3.887 1.00 0.69 C ATOM 242 CG LEU A 15 2.251 -5.921 -3.814 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.567 -4.543 -3.804 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.691 -6.784 -4.958 1.00 1.55 C ATOM 0 H LEU A 15 4.368 -7.304 -1.895 1.00 0.50 H new ATOM 0 HA LEU A 15 4.340 -7.551 -4.871 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.098 -5.175 -3.018 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.012 -5.150 -4.768 1.00 0.69 H new ATOM 0 HG LEU A 15 2.033 -6.450 -2.886 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.486 -4.674 -3.752 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.906 -3.975 -2.938 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.824 -4.003 -4.715 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.610 -6.870 -4.853 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.927 -6.318 -5.915 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.140 -7.777 -4.918 1.00 1.55 H new ATOM 256 N GLU A 16 6.617 -6.482 -5.118 1.00 0.59 N ATOM 257 CA GLU A 16 7.949 -6.015 -5.346 1.00 0.63 C ATOM 258 C GLU A 16 7.883 -4.571 -5.707 1.00 0.65 C ATOM 259 O GLU A 16 7.106 -4.128 -6.552 1.00 0.81 O ATOM 260 CB GLU A 16 8.689 -6.807 -6.437 1.00 0.76 C ATOM 261 CG GLU A 16 8.656 -8.328 -6.280 1.00 1.41 C ATOM 262 CD GLU A 16 9.686 -9.074 -7.116 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.700 -8.902 -8.364 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.529 -9.749 -6.466 1.00 1.95 O ATOM 0 H GLU A 16 6.089 -6.583 -5.985 1.00 0.59 H new ATOM 0 HA GLU A 16 8.521 -6.163 -4.430 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.258 -6.549 -7.405 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.730 -6.483 -6.455 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.812 -8.575 -5.230 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.662 -8.686 -6.548 1.00 1.41 H new ATOM 271 N VAL A 17 8.754 -3.759 -5.081 1.00 0.61 N ATOM 272 CA VAL A 17 8.777 -2.348 -5.310 1.00 0.63 C ATOM 273 C VAL A 17 10.194 -1.894 -5.227 1.00 0.65 C ATOM 274 O VAL A 17 10.952 -2.542 -4.508 1.00 0.76 O ATOM 275 CB VAL A 17 8.048 -1.527 -4.288 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.567 -1.913 -4.438 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.553 -1.790 -2.859 1.00 0.92 C ATOM 0 H VAL A 17 9.449 -4.085 -4.409 1.00 0.61 H new ATOM 0 HA VAL A 17 8.294 -2.203 -6.276 1.00 0.63 H new ATOM 0 HB VAL A 17 8.211 -0.462 -4.453 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.970 -1.351 -3.720 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.231 -1.682 -5.449 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.448 -2.980 -4.251 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.994 -1.172 -2.156 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.410 -2.842 -2.611 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.613 -1.543 -2.796 1.00 0.92 H new ATOM 287 N GLU A 18 10.537 -0.715 -5.776 1.00 0.68 N ATOM 288 CA GLU A 18 11.815 -0.135 -5.503 1.00 0.74 C ATOM 289 C GLU A 18 11.604 0.832 -4.389 1.00 0.71 C ATOM 290 O GLU A 18 10.477 1.297 -4.230 1.00 0.74 O ATOM 291 CB GLU A 18 12.474 0.486 -6.747 1.00 0.88 C ATOM 292 CG GLU A 18 12.963 -0.567 -7.745 1.00 1.16 C ATOM 293 CD GLU A 18 13.841 -1.657 -7.147 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.859 -1.256 -6.524 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.654 -2.896 -7.290 1.00 2.33 O ATOM 0 H GLU A 18 9.940 -0.171 -6.399 1.00 0.68 H new ATOM 0 HA GLU A 18 12.533 -0.900 -5.205 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.760 1.145 -7.241 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.316 1.105 -6.436 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.096 -1.034 -8.212 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.520 -0.066 -8.537 1.00 1.16 H new ATOM 302 N PRO A 19 12.542 1.208 -3.570 1.00 0.74 N ATOM 303 CA PRO A 19 12.307 2.081 -2.457 1.00 0.74 C ATOM 304 C PRO A 19 11.912 3.474 -2.808 1.00 0.70 C ATOM 305 O PRO A 19 11.443 4.191 -1.926 1.00 0.74 O ATOM 306 CB PRO A 19 13.704 2.270 -1.871 1.00 0.86 C ATOM 307 CG PRO A 19 14.537 1.068 -2.345 1.00 0.95 C ATOM 308 CD PRO A 19 13.959 0.941 -3.763 1.00 0.82 C ATOM 0 HA PRO A 19 11.516 1.644 -1.847 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.145 3.207 -2.211 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.667 2.312 -0.782 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.609 1.267 -2.340 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.376 0.176 -1.740 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.414 1.656 -4.449 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.129 -0.052 -4.179 1.00 0.82 H new ATOM 316 N SER A 20 12.090 3.865 -4.083 1.00 0.70 N ATOM 317 CA SER A 20 11.748 5.183 -4.521 1.00 0.74 C ATOM 318 C SER A 20 10.575 5.089 -5.435 1.00 0.71 C ATOM 319 O SER A 20 10.395 5.872 -6.367 1.00 0.80 O ATOM 320 CB SER A 20 12.891 5.891 -5.267 1.00 0.89 C ATOM 321 OG SER A 20 13.938 6.228 -4.369 1.00 1.45 O ATOM 0 H SER A 20 12.473 3.265 -4.814 1.00 0.70 H new ATOM 0 HA SER A 20 11.529 5.772 -3.630 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.275 5.243 -6.055 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.514 6.792 -5.750 1.00 0.89 H new ATOM 0 HG SER A 20 14.658 6.676 -4.860 1.00 1.45 H new ATOM 327 N ASP A 21 9.719 4.055 -5.336 1.00 0.70 N ATOM 328 CA ASP A 21 8.500 3.898 -6.066 1.00 0.73 C ATOM 329 C ASP A 21 7.493 4.672 -5.287 1.00 0.64 C ATOM 330 O ASP A 21 7.520 4.693 -4.058 1.00 0.66 O ATOM 331 CB ASP A 21 8.230 2.387 -6.175 1.00 0.87 C ATOM 332 CG ASP A 21 8.830 1.731 -7.410 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.455 2.447 -8.237 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.779 0.472 -7.419 1.00 1.69 O ATOM 0 H ASP A 21 9.893 3.276 -4.701 1.00 0.70 H new ATOM 0 HA ASP A 21 8.498 4.273 -7.089 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.626 1.894 -5.287 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.153 2.222 -6.177 1.00 0.87 H new ATOM 339 N THR A 22 6.624 5.445 -5.964 1.00 0.63 N ATOM 340 CA THR A 22 5.613 6.128 -5.217 1.00 0.58 C ATOM 341 C THR A 22 4.564 5.304 -4.554 1.00 0.53 C ATOM 342 O THR A 22 4.255 4.164 -4.897 1.00 0.58 O ATOM 343 CB THR A 22 4.955 7.320 -5.849 1.00 0.63 C ATOM 344 OG1 THR A 22 4.297 6.899 -7.034 1.00 0.70 O ATOM 345 CG2 THR A 22 6.007 8.405 -6.132 1.00 0.75 C ATOM 0 H THR A 22 6.616 5.593 -6.973 1.00 0.63 H new ATOM 0 HA THR A 22 6.289 6.495 -4.445 1.00 0.58 H new ATOM 0 HB THR A 22 4.214 7.753 -5.177 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.998 7.684 -7.539 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.525 9.268 -6.591 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.479 8.707 -5.197 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.764 8.010 -6.809 1.00 0.75 H new ATOM 353 N ILE A 23 3.798 5.887 -3.615 1.00 0.51 N ATOM 354 CA ILE A 23 2.715 5.163 -3.027 1.00 0.48 C ATOM 355 C ILE A 23 1.655 4.936 -4.049 1.00 0.48 C ATOM 356 O ILE A 23 1.022 3.882 -3.985 1.00 0.51 O ATOM 357 CB ILE A 23 2.139 5.754 -1.774 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.204 5.870 -0.673 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.913 5.025 -1.196 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.056 4.623 -0.433 1.00 0.73 C ATOM 0 H ILE A 23 3.924 6.838 -3.269 1.00 0.51 H new ATOM 0 HA ILE A 23 3.142 4.217 -2.695 1.00 0.48 H new ATOM 0 HB ILE A 23 1.791 6.736 -2.093 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.868 6.697 -0.923 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.706 6.131 0.261 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.579 5.535 -0.293 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.109 5.026 -1.932 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.182 3.997 -0.953 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.772 4.820 0.364 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.412 3.792 -0.145 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.592 4.367 -1.347 1.00 0.73 H new ATOM 372 N GLU A 24 1.436 5.948 -4.907 1.00 0.50 N ATOM 373 CA GLU A 24 0.661 5.948 -6.110 1.00 0.53 C ATOM 374 C GLU A 24 0.934 4.783 -6.998 1.00 0.50 C ATOM 375 O GLU A 24 0.067 4.326 -7.741 1.00 0.55 O ATOM 376 CB GLU A 24 0.849 7.260 -6.888 1.00 0.64 C ATOM 377 CG GLU A 24 -0.193 7.466 -7.989 1.00 0.95 C ATOM 378 CD GLU A 24 0.094 8.728 -8.791 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.034 9.855 -8.231 1.00 1.56 O ATOM 380 OE2 GLU A 24 0.289 8.652 -10.034 1.00 1.62 O ATOM 0 H GLU A 24 1.848 6.865 -4.737 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.377 5.860 -5.790 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.802 8.097 -6.192 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.844 7.271 -7.333 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.198 6.603 -8.654 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.186 7.532 -7.545 1.00 0.95 H new ATOM 387 N ASN A 25 2.207 4.387 -7.179 1.00 0.51 N ATOM 388 CA ASN A 25 2.693 3.327 -8.006 1.00 0.52 C ATOM 389 C ASN A 25 2.525 2.010 -7.330 1.00 0.47 C ATOM 390 O ASN A 25 2.164 1.007 -7.945 1.00 0.53 O ATOM 391 CB ASN A 25 4.159 3.599 -8.385 1.00 0.64 C ATOM 392 CG ASN A 25 4.717 2.878 -9.603 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.602 2.029 -9.515 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.252 3.312 -10.806 1.00 1.57 N ATOM 0 H ASN A 25 2.971 4.859 -6.696 1.00 0.51 H new ATOM 0 HA ASN A 25 2.108 3.287 -8.925 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.270 4.671 -8.549 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.781 3.341 -7.528 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.639 2.931 -11.670 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.517 4.018 -10.844 1.00 1.57 H new ATOM 401 N VAL A 26 2.558 1.993 -5.986 1.00 0.45 N ATOM 402 CA VAL A 26 2.143 0.823 -5.276 1.00 0.44 C ATOM 403 C VAL A 26 0.684 0.548 -5.398 1.00 0.40 C ATOM 404 O VAL A 26 0.337 -0.580 -5.746 1.00 0.44 O ATOM 405 CB VAL A 26 2.647 0.718 -3.868 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.400 -0.682 -3.282 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.171 0.925 -3.893 1.00 0.62 C ATOM 0 H VAL A 26 2.865 2.770 -5.401 1.00 0.45 H new ATOM 0 HA VAL A 26 2.652 0.011 -5.796 1.00 0.44 H new ATOM 0 HB VAL A 26 2.127 1.461 -3.263 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.778 -0.721 -2.260 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.331 -0.893 -3.281 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.916 -1.426 -3.888 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.565 0.854 -2.879 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.632 0.159 -4.516 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.398 1.910 -4.302 1.00 0.62 H new ATOM 417 N LYS A 27 -0.246 1.518 -5.342 1.00 0.40 N ATOM 418 CA LYS A 27 -1.616 1.253 -5.655 1.00 0.41 C ATOM 419 C LYS A 27 -1.912 0.862 -7.062 1.00 0.38 C ATOM 420 O LYS A 27 -2.743 -0.001 -7.341 1.00 0.42 O ATOM 421 CB LYS A 27 -2.363 2.568 -5.379 1.00 0.51 C ATOM 422 CG LYS A 27 -2.197 3.038 -3.931 1.00 0.76 C ATOM 423 CD LYS A 27 -3.144 4.203 -3.633 1.00 0.82 C ATOM 424 CE LYS A 27 -3.143 4.757 -2.207 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.811 6.078 -2.181 1.00 1.11 N ATOM 0 H LYS A 27 -0.050 2.484 -5.080 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.917 0.395 -5.053 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.995 3.341 -6.054 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.423 2.434 -5.596 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.401 2.213 -3.249 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.166 3.347 -3.759 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.900 5.019 -4.313 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.159 3.883 -3.871 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.657 4.066 -1.539 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.119 4.850 -1.844 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.618 6.547 -1.273 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.448 6.666 -2.958 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.837 5.950 -2.294 1.00 1.11 H new ATOM 439 N ALA A 28 -1.092 1.273 -8.045 1.00 0.39 N ATOM 440 CA ALA A 28 -1.149 0.856 -9.412 1.00 0.39 C ATOM 441 C ALA A 28 -0.728 -0.562 -9.594 1.00 0.36 C ATOM 442 O ALA A 28 -1.350 -1.272 -10.382 1.00 0.42 O ATOM 443 CB ALA A 28 -0.289 1.723 -10.347 1.00 0.51 C ATOM 0 H ALA A 28 -0.340 1.940 -7.873 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.199 0.971 -9.681 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.377 1.354 -11.369 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.633 2.756 -10.304 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.753 1.674 -10.032 1.00 0.51 H new ATOM 449 N LYS A 29 0.196 -1.031 -8.737 1.00 0.39 N ATOM 450 CA LYS A 29 0.605 -2.402 -8.727 1.00 0.43 C ATOM 451 C LYS A 29 -0.443 -3.284 -8.141 1.00 0.44 C ATOM 452 O LYS A 29 -0.659 -4.394 -8.626 1.00 0.54 O ATOM 453 CB LYS A 29 1.977 -2.578 -8.057 1.00 0.54 C ATOM 454 CG LYS A 29 2.589 -3.917 -8.474 1.00 0.65 C ATOM 455 CD LYS A 29 4.111 -4.025 -8.367 1.00 1.08 C ATOM 456 CE LYS A 29 4.883 -3.076 -9.286 1.00 1.24 C ATOM 457 NZ LYS A 29 6.341 -3.092 -9.034 1.00 1.44 N ATOM 0 H LYS A 29 0.666 -0.452 -8.041 1.00 0.39 H new ATOM 0 HA LYS A 29 0.727 -2.719 -9.763 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.639 -1.760 -8.342 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.870 -2.538 -6.973 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.146 -4.702 -7.862 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.303 -4.118 -9.506 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.404 -3.830 -7.336 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.406 -5.049 -8.594 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.695 -3.351 -10.324 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.507 -2.062 -9.152 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.683 -2.117 -8.911 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.538 -3.639 -8.172 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.828 -3.531 -9.841 1.00 1.44 H new ATOM 471 N ILE A 30 -1.172 -2.847 -7.098 1.00 0.41 N ATOM 472 CA ILE A 30 -2.264 -3.569 -6.521 1.00 0.44 C ATOM 473 C ILE A 30 -3.405 -3.710 -7.469 1.00 0.45 C ATOM 474 O ILE A 30 -4.112 -4.713 -7.563 1.00 0.56 O ATOM 475 CB ILE A 30 -2.820 -3.045 -5.230 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.710 -3.046 -4.165 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.991 -3.893 -4.710 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.137 -2.276 -2.917 1.00 1.32 C ATOM 0 H ILE A 30 -0.993 -1.954 -6.638 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.794 -4.526 -6.295 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.189 -2.037 -5.420 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.463 -4.073 -3.895 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.806 -2.599 -4.579 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.358 -3.472 -3.774 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.795 -3.894 -5.446 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.653 -4.915 -4.540 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.331 -2.296 -2.184 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.359 -1.243 -3.185 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.027 -2.739 -2.490 1.00 1.32 H new ATOM 490 N GLN A 31 -3.653 -2.692 -8.312 1.00 0.41 N ATOM 491 CA GLN A 31 -4.669 -2.520 -9.303 1.00 0.48 C ATOM 492 C GLN A 31 -4.600 -3.552 -10.375 1.00 0.52 C ATOM 493 O GLN A 31 -5.652 -4.027 -10.799 1.00 0.66 O ATOM 494 CB GLN A 31 -4.736 -1.115 -9.925 1.00 0.52 C ATOM 495 CG GLN A 31 -5.854 -0.870 -10.941 1.00 0.70 C ATOM 496 CD GLN A 31 -5.817 0.514 -11.573 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.932 1.361 -11.473 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.823 0.821 -12.436 1.00 1.43 N ATOM 0 H GLN A 31 -3.047 -1.872 -8.290 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.595 -2.650 -8.744 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.843 -0.390 -9.118 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.782 -0.912 -10.412 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.788 -1.621 -11.728 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.817 -1.009 -10.449 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.594 0.168 -12.573 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.806 1.704 -12.946 1.00 1.43 H new ATOM 507 N ASP A 32 -3.358 -3.843 -10.798 1.00 0.50 N ATOM 508 CA ASP A 32 -2.970 -4.943 -11.627 1.00 0.60 C ATOM 509 C ASP A 32 -3.085 -6.288 -10.997 1.00 0.65 C ATOM 510 O ASP A 32 -3.350 -7.262 -11.700 1.00 0.81 O ATOM 511 CB ASP A 32 -1.494 -4.717 -11.996 1.00 0.67 C ATOM 512 CG ASP A 32 -0.833 -5.719 -12.931 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.186 -5.776 -14.139 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.049 -6.495 -12.475 1.00 1.55 O ATOM 0 H ASP A 32 -2.561 -3.262 -10.539 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.652 -4.957 -12.477 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.410 -3.730 -12.450 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.918 -4.692 -11.071 1.00 0.67 H new ATOM 519 N LYS A 33 -2.872 -6.413 -9.675 1.00 0.62 N ATOM 520 CA LYS A 33 -2.959 -7.686 -9.028 1.00 0.73 C ATOM 521 C LYS A 33 -4.366 -8.097 -8.766 1.00 0.69 C ATOM 522 O LYS A 33 -4.849 -9.084 -9.320 1.00 0.83 O ATOM 523 CB LYS A 33 -2.281 -7.547 -7.653 1.00 0.85 C ATOM 524 CG LYS A 33 -2.114 -8.900 -6.960 1.00 1.31 C ATOM 525 CD LYS A 33 -1.032 -9.859 -7.461 1.00 1.71 C ATOM 526 CE LYS A 33 0.419 -9.374 -7.469 1.00 2.26 C ATOM 527 NZ LYS A 33 1.416 -10.390 -7.877 1.00 2.62 N ATOM 0 H LYS A 33 -2.640 -5.636 -9.056 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.492 -8.427 -9.677 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.304 -7.079 -7.776 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.874 -6.886 -7.021 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.921 -8.708 -5.905 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -3.070 -9.421 -7.020 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.078 -10.761 -6.850 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.291 -10.150 -8.479 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.497 -8.520 -8.141 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.673 -9.018 -6.471 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.368 -9.972 -7.852 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.376 -11.198 -7.223 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.206 -10.715 -8.842 1.00 2.62 H new ATOM 541 N GLU A 34 -5.169 -7.345 -7.991 1.00 0.63 N ATOM 542 CA GLU A 34 -6.436 -7.727 -7.452 1.00 0.67 C ATOM 543 C GLU A 34 -7.578 -7.131 -8.200 1.00 0.69 C ATOM 544 O GLU A 34 -8.715 -7.589 -8.092 1.00 0.95 O ATOM 545 CB GLU A 34 -6.660 -7.391 -5.967 1.00 0.73 C ATOM 546 CG GLU A 34 -5.558 -7.841 -5.007 1.00 0.83 C ATOM 547 CD GLU A 34 -5.638 -9.353 -4.853 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.645 -9.854 -4.288 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.733 -10.100 -5.316 1.00 1.48 O ATOM 0 H GLU A 34 -4.910 -6.396 -7.722 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.405 -8.812 -7.557 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.779 -6.312 -5.873 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.599 -7.844 -5.650 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.580 -7.551 -5.391 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.678 -7.355 -4.039 1.00 0.83 H new ATOM 556 N GLY A 35 -7.348 -6.037 -8.947 1.00 0.63 N ATOM 557 CA GLY A 35 -8.448 -5.493 -9.681 1.00 0.68 C ATOM 558 C GLY A 35 -9.192 -4.455 -8.914 1.00 0.76 C ATOM 559 O GLY A 35 -10.367 -4.166 -9.133 1.00 1.12 O ATOM 0 H GLY A 35 -6.456 -5.552 -9.042 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.080 -5.058 -10.611 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.131 -6.297 -9.954 1.00 0.68 H new ATOM 563 N ILE A 36 -8.426 -3.763 -8.050 1.00 0.70 N ATOM 564 CA ILE A 36 -8.946 -2.742 -7.195 1.00 0.76 C ATOM 565 C ILE A 36 -8.445 -1.423 -7.677 1.00 0.71 C ATOM 566 O ILE A 36 -7.225 -1.263 -7.672 1.00 0.73 O ATOM 567 CB ILE A 36 -8.523 -2.891 -5.765 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.793 -4.296 -5.200 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.257 -1.784 -4.989 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.161 -4.508 -3.824 1.00 1.16 C ATOM 0 H ILE A 36 -7.423 -3.917 -7.944 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.033 -2.821 -7.231 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.443 -2.782 -5.670 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.869 -4.455 -5.130 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.405 -5.043 -5.893 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.989 -1.840 -3.934 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.970 -0.810 -5.385 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.334 -1.916 -5.097 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.383 -5.516 -3.473 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.081 -4.378 -3.896 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.568 -3.781 -3.121 1.00 1.16 H new ATOM 582 N PRO A 37 -9.202 -0.513 -8.214 1.00 0.75 N ATOM 583 CA PRO A 37 -8.700 0.752 -8.668 1.00 0.79 C ATOM 584 C PRO A 37 -8.102 1.576 -7.579 1.00 0.75 C ATOM 585 O PRO A 37 -8.615 1.439 -6.469 1.00 0.75 O ATOM 586 CB PRO A 37 -9.861 1.470 -9.352 1.00 0.95 C ATOM 587 CG PRO A 37 -11.053 0.504 -9.270 1.00 1.02 C ATOM 588 CD PRO A 37 -10.652 -0.599 -8.276 1.00 0.85 C ATOM 0 HA PRO A 37 -7.877 0.588 -9.363 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.086 2.413 -8.854 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.619 1.707 -10.388 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.950 1.023 -8.933 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.278 0.081 -10.249 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.103 -0.436 -7.297 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.978 -1.581 -8.618 1.00 0.85 H new ATOM 596 N PRO A 38 -7.177 2.479 -7.709 1.00 0.81 N ATOM 597 CA PRO A 38 -6.636 3.164 -6.572 1.00 0.85 C ATOM 598 C PRO A 38 -7.486 4.157 -5.856 1.00 0.89 C ATOM 599 O PRO A 38 -7.133 4.332 -4.691 1.00 0.99 O ATOM 600 CB PRO A 38 -5.435 3.865 -7.201 1.00 1.01 C ATOM 601 CG PRO A 38 -4.883 2.895 -8.258 1.00 1.25 C ATOM 602 CD PRO A 38 -6.214 2.343 -8.792 1.00 0.98 C ATOM 0 HA PRO A 38 -6.458 2.448 -5.770 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.730 4.811 -7.656 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.679 4.094 -6.449 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.297 3.398 -9.027 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.247 2.121 -7.828 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.539 2.897 -9.673 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.110 1.300 -9.091 1.00 0.98 H new ATOM 610 N ASP A 39 -8.607 4.631 -6.428 1.00 0.96 N ATOM 611 CA ASP A 39 -9.559 5.426 -5.717 1.00 1.11 C ATOM 612 C ASP A 39 -10.009 4.819 -4.432 1.00 1.00 C ATOM 613 O ASP A 39 -10.070 5.513 -3.419 1.00 1.14 O ATOM 614 CB ASP A 39 -10.740 5.605 -6.685 1.00 1.39 C ATOM 615 CG ASP A 39 -11.512 6.868 -6.330 1.00 1.73 C ATOM 616 OD1 ASP A 39 -12.118 7.025 -5.236 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.487 7.785 -7.193 1.00 2.25 O ATOM 0 H ASP A 39 -8.857 4.459 -7.402 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.107 6.373 -5.421 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.375 5.667 -7.710 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.399 4.738 -6.633 1.00 1.39 H new ATOM 622 N GLN A 40 -10.351 3.518 -4.407 1.00 0.87 N ATOM 623 CA GLN A 40 -10.842 2.827 -3.256 1.00 0.84 C ATOM 624 C GLN A 40 -9.741 2.501 -2.306 1.00 0.67 C ATOM 625 O GLN A 40 -10.060 1.971 -1.242 1.00 0.80 O ATOM 626 CB GLN A 40 -11.504 1.490 -3.628 1.00 0.95 C ATOM 627 CG GLN A 40 -12.680 1.769 -4.566 1.00 1.32 C ATOM 628 CD GLN A 40 -13.324 0.477 -5.049 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.655 -0.537 -5.236 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.683 0.468 -4.995 1.00 2.02 N ATOM 0 H GLN A 40 -10.281 2.920 -5.230 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.568 3.500 -2.800 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.782 0.833 -4.113 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.850 0.977 -2.731 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.423 2.377 -4.050 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.335 2.348 -5.423 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -15.193 1.337 -4.837 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.192 -0.408 -5.112 1.00 2.02 H new ATOM 639 N GLN A 41 -8.465 2.760 -2.641 1.00 0.56 N ATOM 640 CA GLN A 41 -7.337 2.342 -1.868 1.00 0.51 C ATOM 641 C GLN A 41 -6.852 3.473 -1.029 1.00 0.49 C ATOM 642 O GLN A 41 -6.462 4.505 -1.572 1.00 0.65 O ATOM 643 CB GLN A 41 -6.298 1.904 -2.915 1.00 0.67 C ATOM 644 CG GLN A 41 -6.607 0.702 -3.810 1.00 0.69 C ATOM 645 CD GLN A 41 -5.349 0.224 -4.522 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.227 0.313 -4.026 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.495 -0.191 -5.809 1.00 0.61 N ATOM 0 H GLN A 41 -8.209 3.279 -3.481 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.561 1.532 -1.174 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.106 2.758 -3.565 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.369 1.691 -2.387 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.021 -0.108 -3.209 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.365 0.974 -4.544 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.426 -0.264 -6.219 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.673 -0.429 -6.364 1.00 0.61 H new ATOM 656 N ARG A 42 -6.738 3.221 0.288 1.00 0.47 N ATOM 657 CA ARG A 42 -6.036 3.970 1.282 1.00 0.55 C ATOM 658 C ARG A 42 -4.978 3.041 1.769 1.00 0.46 C ATOM 659 O ARG A 42 -5.201 1.902 2.177 1.00 0.52 O ATOM 660 CB ARG A 42 -6.980 4.369 2.429 1.00 0.73 C ATOM 661 CG ARG A 42 -6.309 5.101 3.592 1.00 1.04 C ATOM 662 CD ARG A 42 -7.268 5.471 4.726 1.00 1.28 C ATOM 663 NE ARG A 42 -8.116 6.564 4.171 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.056 7.232 4.900 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.268 7.062 6.237 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.756 8.226 4.277 1.00 2.78 N ATOM 0 H ARG A 42 -7.188 2.402 0.696 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.623 4.899 0.888 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.769 5.004 2.026 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.460 3.469 2.814 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.513 4.474 3.993 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.840 6.010 3.215 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.873 4.616 5.026 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.724 5.803 5.610 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.987 6.827 3.194 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.702 6.396 6.763 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.993 7.601 6.711 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.568 8.447 3.299 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.467 8.748 4.790 1.00 2.78 H new ATOM 680 N LEU A 43 -3.719 3.507 1.836 1.00 0.46 N ATOM 681 CA LEU A 43 -2.706 2.687 2.425 1.00 0.42 C ATOM 682 C LEU A 43 -2.292 3.199 3.762 1.00 0.43 C ATOM 683 O LEU A 43 -1.975 4.366 3.987 1.00 0.55 O ATOM 684 CB LEU A 43 -1.501 2.588 1.474 1.00 0.55 C ATOM 685 CG LEU A 43 -1.612 1.401 0.503 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.545 1.432 -0.605 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.690 -0.025 1.077 1.00 1.12 C ATOM 0 H LEU A 43 -3.408 4.417 1.496 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.119 1.690 2.580 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.416 3.513 0.904 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.587 2.489 2.060 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.610 1.588 0.106 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.674 0.569 -1.259 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.651 2.348 -1.187 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.447 1.401 -0.155 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.764 -0.743 0.260 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.793 -0.232 1.661 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.568 -0.112 1.717 1.00 1.12 H new ATOM 699 N ILE A 44 -2.227 2.285 4.747 1.00 0.42 N ATOM 700 CA ILE A 44 -1.837 2.618 6.082 1.00 0.46 C ATOM 701 C ILE A 44 -0.493 2.033 6.348 1.00 0.42 C ATOM 702 O ILE A 44 -0.268 0.898 5.931 1.00 0.53 O ATOM 703 CB ILE A 44 -2.827 2.093 7.079 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.222 2.734 6.973 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.380 2.234 8.544 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.302 4.259 7.025 1.00 1.27 C ATOM 0 H ILE A 44 -2.449 1.298 4.614 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.803 3.703 6.182 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.881 1.038 6.810 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.673 2.405 6.037 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.837 2.337 7.780 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.151 1.831 9.200 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.451 1.684 8.696 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.220 3.287 8.776 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.343 4.572 6.939 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.893 4.613 7.972 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.727 4.682 6.201 1.00 1.27 H new ATOM 718 N PHE A 45 0.376 2.752 7.081 1.00 0.42 N ATOM 719 CA PHE A 45 1.619 2.246 7.576 1.00 0.46 C ATOM 720 C PHE A 45 1.810 2.788 8.950 1.00 0.68 C ATOM 721 O PHE A 45 1.918 3.997 9.150 1.00 1.50 O ATOM 722 CB PHE A 45 2.734 2.604 6.580 1.00 0.56 C ATOM 723 CG PHE A 45 4.060 2.199 7.125 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.380 0.871 7.283 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.074 3.110 7.303 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.581 0.433 7.790 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.326 2.696 7.690 1.00 1.33 C ATOM 728 CZ PHE A 45 6.571 1.371 7.965 1.00 1.02 C ATOM 0 H PHE A 45 0.206 3.724 7.339 1.00 0.42 H new ATOM 0 HA PHE A 45 1.637 1.159 7.658 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.556 2.104 5.628 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.726 3.676 6.383 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.648 0.132 6.993 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.885 4.160 7.137 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.740 -0.605 8.040 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.125 3.418 7.779 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.544 1.066 8.320 1.00 1.02 H new ATOM 738 N ALA A 46 1.864 1.865 9.927 1.00 0.81 N ATOM 739 CA ALA A 46 1.956 2.041 11.342 1.00 0.96 C ATOM 740 C ALA A 46 0.675 2.523 11.930 1.00 0.97 C ATOM 741 O ALA A 46 0.211 2.088 12.983 1.00 1.21 O ATOM 742 CB ALA A 46 3.151 2.779 11.969 1.00 1.20 C ATOM 0 H ALA A 46 1.840 0.873 9.690 1.00 0.81 H new ATOM 0 HA ALA A 46 2.179 1.013 11.626 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.034 2.807 13.052 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.074 2.257 11.717 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.193 3.797 11.583 1.00 1.20 H new ATOM 748 N GLY A 47 0.028 3.509 11.284 1.00 0.99 N ATOM 749 CA GLY A 47 -1.119 4.244 11.720 1.00 1.10 C ATOM 750 C GLY A 47 -1.514 5.384 10.845 1.00 1.03 C ATOM 751 O GLY A 47 -2.709 5.550 10.606 1.00 1.30 O ATOM 0 H GLY A 47 0.341 3.821 10.365 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.962 3.558 11.798 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.926 4.626 12.722 1.00 1.10 H new ATOM 755 N LYS A 48 -0.518 6.157 10.374 1.00 0.98 N ATOM 756 CA LYS A 48 -0.848 7.245 9.507 1.00 1.05 C ATOM 757 C LYS A 48 -1.212 6.735 8.154 1.00 0.84 C ATOM 758 O LYS A 48 -0.760 5.676 7.720 1.00 0.81 O ATOM 759 CB LYS A 48 0.321 8.241 9.439 1.00 1.42 C ATOM 760 CG LYS A 48 0.965 8.686 10.753 1.00 1.61 C ATOM 761 CD LYS A 48 1.736 10.002 10.634 1.00 1.87 C ATOM 762 CE LYS A 48 2.867 10.084 11.662 1.00 2.22 C ATOM 763 NZ LYS A 48 3.600 11.368 11.595 1.00 2.55 N ATOM 0 H LYS A 48 0.474 6.038 10.581 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.714 7.772 9.907 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.100 7.799 8.819 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.031 9.133 8.921 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.189 8.795 11.511 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.643 7.906 11.100 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.149 10.094 9.629 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.053 10.839 10.776 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.454 9.956 12.663 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.564 9.262 11.497 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.355 11.374 12.310 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.018 11.480 10.649 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.943 12.153 11.778 1.00 2.55 H new ATOM 777 N GLN A 49 -1.972 7.544 7.397 1.00 0.84 N ATOM 778 CA GLN A 49 -2.381 7.304 6.047 1.00 0.80 C ATOM 779 C GLN A 49 -1.351 7.812 5.097 1.00 0.72 C ATOM 780 O GLN A 49 -0.778 8.889 5.249 1.00 0.83 O ATOM 781 CB GLN A 49 -3.689 8.101 5.902 1.00 1.03 C ATOM 782 CG GLN A 49 -4.751 7.797 6.962 1.00 1.67 C ATOM 783 CD GLN A 49 -5.920 8.771 6.990 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.404 9.231 5.958 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.297 9.152 8.241 1.00 2.48 N ATOM 0 H GLN A 49 -2.327 8.431 7.755 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.512 6.244 5.828 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.455 9.165 5.938 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.112 7.901 4.917 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.137 6.792 6.792 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.275 7.794 7.943 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.855 8.730 9.058 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.022 9.859 8.362 1.00 2.48 H new ATOM 794 N LEU A 50 -1.085 7.152 3.957 1.00 0.69 N ATOM 795 CA LEU A 50 -0.043 7.618 3.095 1.00 0.66 C ATOM 796 C LEU A 50 -0.556 8.526 2.031 1.00 0.72 C ATOM 797 O LEU A 50 -1.700 8.355 1.614 1.00 0.90 O ATOM 798 CB LEU A 50 0.739 6.479 2.418 1.00 0.65 C ATOM 799 CG LEU A 50 1.277 5.471 3.447 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.048 4.376 2.692 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.182 6.069 4.538 1.00 0.74 C ATOM 0 H LEU A 50 -1.576 6.317 3.637 1.00 0.69 H new ATOM 0 HA LEU A 50 0.632 8.164 3.754 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.091 5.964 1.708 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.569 6.896 1.848 1.00 0.65 H new ATOM 0 HG LEU A 50 0.408 5.081 3.977 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.439 3.649 3.404 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.378 3.875 1.993 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.875 4.826 2.142 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.509 5.278 5.213 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.052 6.533 4.075 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.627 6.820 5.100 1.00 0.74 H new ATOM 813 N GLU A 51 0.227 9.482 1.498 1.00 0.70 N ATOM 814 CA GLU A 51 -0.098 10.335 0.398 1.00 0.76 C ATOM 815 C GLU A 51 0.453 9.630 -0.793 1.00 0.77 C ATOM 816 O GLU A 51 1.403 8.863 -0.638 1.00 1.23 O ATOM 817 CB GLU A 51 0.534 11.720 0.619 1.00 0.88 C ATOM 818 CG GLU A 51 0.410 12.688 -0.559 1.00 1.35 C ATOM 819 CD GLU A 51 -1.017 13.114 -0.878 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.758 12.363 -1.567 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.385 14.246 -0.470 1.00 1.94 O ATOM 0 H GLU A 51 1.159 9.671 1.866 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.166 10.515 0.278 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.072 12.177 1.494 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.591 11.587 0.849 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.002 13.578 -0.346 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.843 12.221 -1.444 1.00 1.35 H new ATOM 828 N ASP A 52 -0.226 9.792 -1.942 1.00 0.66 N ATOM 829 CA ASP A 52 0.031 9.057 -3.142 1.00 0.65 C ATOM 830 C ASP A 52 1.344 9.309 -3.799 1.00 0.60 C ATOM 831 O ASP A 52 2.227 8.502 -4.083 1.00 0.62 O ATOM 832 CB ASP A 52 -1.116 9.441 -4.093 1.00 0.81 C ATOM 833 CG ASP A 52 -2.425 8.736 -3.769 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.471 7.486 -3.922 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.382 9.410 -3.302 1.00 1.44 O ATOM 0 H ASP A 52 -0.987 10.464 -2.039 1.00 0.66 H new ATOM 0 HA ASP A 52 0.081 7.997 -2.892 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.271 10.519 -4.048 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.826 9.203 -5.116 1.00 0.81 H new ATOM 840 N GLY A 53 1.656 10.592 -4.058 1.00 0.68 N ATOM 841 CA GLY A 53 2.903 11.072 -4.567 1.00 0.73 C ATOM 842 C GLY A 53 3.930 11.191 -3.495 1.00 0.72 C ATOM 843 O GLY A 53 4.524 12.254 -3.315 1.00 0.97 O ATOM 0 H GLY A 53 0.988 11.346 -3.900 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.264 10.396 -5.342 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.754 12.044 -5.037 1.00 0.73 H new ATOM 847 N ARG A 54 4.146 10.180 -2.634 1.00 0.64 N ATOM 848 CA ARG A 54 5.349 10.115 -1.864 1.00 0.63 C ATOM 849 C ARG A 54 5.869 8.731 -2.043 1.00 0.59 C ATOM 850 O ARG A 54 5.127 7.850 -2.474 1.00 0.62 O ATOM 851 CB ARG A 54 5.090 10.393 -0.373 1.00 0.69 C ATOM 852 CG ARG A 54 4.686 11.814 0.023 1.00 0.82 C ATOM 853 CD ARG A 54 5.931 12.536 0.543 1.00 1.18 C ATOM 854 NE ARG A 54 5.533 13.892 1.014 1.00 1.50 N ATOM 855 CZ ARG A 54 6.269 14.700 1.831 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.457 14.304 2.375 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.856 15.975 2.093 1.00 2.49 N ATOM 0 H ARG A 54 3.493 9.413 -2.472 1.00 0.64 H new ATOM 0 HA ARG A 54 6.059 10.871 -2.198 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.306 9.715 -0.036 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.994 10.135 0.179 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.269 12.344 -0.834 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.912 11.790 0.790 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.384 11.970 1.358 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.680 12.614 -0.245 1.00 1.18 H new ATOM 0 HE ARG A 54 4.631 14.248 0.698 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.825 13.374 2.175 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.977 14.938 2.981 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.994 16.327 1.677 1.00 2.49 H new ATOM 0 HH22 ARG A 54 6.410 16.575 2.704 1.00 2.49 H new ATOM 871 N THR A 55 7.163 8.532 -1.735 1.00 0.63 N ATOM 872 CA THR A 55 7.715 7.248 -2.043 1.00 0.61 C ATOM 873 C THR A 55 7.664 6.368 -0.842 1.00 0.59 C ATOM 874 O THR A 55 7.218 6.762 0.234 1.00 0.64 O ATOM 875 CB THR A 55 9.130 7.351 -2.529 1.00 0.68 C ATOM 876 OG1 THR A 55 9.860 8.230 -1.686 1.00 0.75 O ATOM 877 CG2 THR A 55 9.029 7.976 -3.931 1.00 0.76 C ATOM 0 H THR A 55 7.792 9.208 -1.302 1.00 0.63 H new ATOM 0 HA THR A 55 7.114 6.817 -2.844 1.00 0.61 H new ATOM 0 HB THR A 55 9.631 6.383 -2.535 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.785 8.295 -2.004 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.028 8.084 -4.354 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.430 7.331 -4.574 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.557 8.956 -3.859 1.00 0.76 H new ATOM 885 N LEU A 56 8.150 5.124 -1.001 1.00 0.58 N ATOM 886 CA LEU A 56 8.334 4.184 0.062 1.00 0.59 C ATOM 887 C LEU A 56 9.474 4.530 0.957 1.00 0.64 C ATOM 888 O LEU A 56 9.231 4.605 2.160 1.00 0.70 O ATOM 889 CB LEU A 56 8.529 2.783 -0.542 1.00 0.60 C ATOM 890 CG LEU A 56 7.373 2.336 -1.453 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.787 1.560 -2.715 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.263 1.602 -0.681 1.00 1.03 C ATOM 0 H LEU A 56 8.427 4.757 -1.911 1.00 0.58 H new ATOM 0 HA LEU A 56 7.442 4.209 0.687 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.457 2.770 -1.114 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.643 2.061 0.267 1.00 0.60 H new ATOM 0 HG LEU A 56 6.966 3.276 -1.825 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.898 1.293 -3.286 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.438 2.183 -3.328 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.319 0.653 -2.427 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.472 1.309 -1.372 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.677 0.713 -0.205 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.852 2.263 0.082 1.00 1.03 H new ATOM 904 N SER A 57 10.644 4.983 0.471 1.00 0.68 N ATOM 905 CA SER A 57 11.700 5.467 1.303 1.00 0.75 C ATOM 906 C SER A 57 11.408 6.749 2.004 1.00 0.76 C ATOM 907 O SER A 57 12.129 7.013 2.965 1.00 0.84 O ATOM 908 CB SER A 57 13.017 5.544 0.511 1.00 0.84 C ATOM 909 OG SER A 57 14.167 5.486 1.341 1.00 1.19 O ATOM 0 H SER A 57 10.860 5.013 -0.525 1.00 0.68 H new ATOM 0 HA SER A 57 11.801 4.735 2.105 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.052 4.724 -0.206 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.036 6.471 -0.063 1.00 0.84 H new ATOM 0 HG SER A 57 13.979 5.933 2.193 1.00 1.19 H new ATOM 915 N ASP A 58 10.370 7.563 1.741 1.00 0.75 N ATOM 916 CA ASP A 58 10.075 8.769 2.450 1.00 0.78 C ATOM 917 C ASP A 58 9.382 8.461 3.734 1.00 0.77 C ATOM 918 O ASP A 58 9.328 9.280 4.650 1.00 0.86 O ATOM 919 CB ASP A 58 9.212 9.699 1.580 1.00 0.83 C ATOM 920 CG ASP A 58 9.448 11.136 2.021 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.628 11.579 2.030 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.413 11.751 2.397 1.00 1.86 O ATOM 0 H ASP A 58 9.702 7.369 0.995 1.00 0.75 H new ATOM 0 HA ASP A 58 11.011 9.278 2.679 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.470 9.579 0.528 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.158 9.441 1.681 1.00 0.83 H new ATOM 927 N TYR A 59 8.609 7.366 3.846 1.00 0.72 N ATOM 928 CA TYR A 59 7.995 6.913 5.056 1.00 0.73 C ATOM 929 C TYR A 59 8.861 5.963 5.808 1.00 0.76 C ATOM 930 O TYR A 59 8.506 5.695 6.955 1.00 0.89 O ATOM 931 CB TYR A 59 6.636 6.218 4.865 1.00 0.73 C ATOM 932 CG TYR A 59 5.655 7.139 4.227 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.066 8.076 5.043 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.400 7.070 2.878 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.185 8.975 4.490 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.550 8.017 2.356 1.00 0.70 C ATOM 937 CZ TYR A 59 3.969 8.993 3.133 1.00 0.74 C ATOM 938 OH TYR A 59 3.135 10.025 2.655 1.00 0.86 O ATOM 0 H TYR A 59 8.401 6.764 3.049 1.00 0.72 H new ATOM 0 HA TYR A 59 7.843 7.838 5.612 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.761 5.329 4.247 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.254 5.885 5.830 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.291 8.105 6.099 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.846 6.308 2.257 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.659 9.672 5.126 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.331 7.994 1.299 1.00 0.70 H new ATOM 0 HH TYR A 59 3.219 10.810 3.236 1.00 0.86 H new ATOM 948 N ASN A 60 9.990 5.602 5.171 1.00 0.74 N ATOM 949 CA ASN A 60 11.069 4.782 5.627 1.00 0.79 C ATOM 950 C ASN A 60 10.740 3.329 5.631 1.00 0.75 C ATOM 951 O ASN A 60 11.087 2.539 6.509 1.00 0.86 O ATOM 952 CB ASN A 60 11.713 5.237 6.948 1.00 0.95 C ATOM 953 CG ASN A 60 12.180 6.672 6.747 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.197 6.855 6.079 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.442 7.698 7.247 1.00 1.83 N ATOM 0 H ASN A 60 10.163 5.928 4.220 1.00 0.74 H new ATOM 0 HA ASN A 60 11.843 4.929 4.873 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.996 5.176 7.767 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.552 4.592 7.210 1.00 0.95 H new ATOM 0 HD21 ASN A 60 11.725 8.662 7.073 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.605 7.504 7.796 1.00 1.83 H new ATOM 962 N ILE A 61 9.923 2.907 4.649 1.00 0.67 N ATOM 963 CA ILE A 61 9.519 1.563 4.370 1.00 0.65 C ATOM 964 C ILE A 61 10.611 0.775 3.733 1.00 0.66 C ATOM 965 O ILE A 61 10.986 1.064 2.598 1.00 0.75 O ATOM 966 CB ILE A 61 8.251 1.580 3.570 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.084 2.300 4.266 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.894 0.140 3.163 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.978 2.825 3.352 1.00 0.82 C ATOM 0 H ILE A 61 9.509 3.568 3.992 1.00 0.67 H new ATOM 0 HA ILE A 61 9.311 1.047 5.307 1.00 0.65 H new ATOM 0 HB ILE A 61 8.431 2.175 2.674 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.638 1.614 4.986 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.488 3.139 4.833 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.973 0.144 2.581 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.701 -0.279 2.562 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.755 -0.467 4.058 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.210 3.313 3.953 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.398 3.543 2.648 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.535 1.994 2.803 1.00 0.82 H new ATOM 981 N GLN A 62 11.157 -0.141 4.551 1.00 0.67 N ATOM 982 CA GLN A 62 12.187 -1.071 4.202 1.00 0.70 C ATOM 983 C GLN A 62 11.601 -2.285 3.567 1.00 0.62 C ATOM 984 O GLN A 62 10.383 -2.454 3.534 1.00 0.64 O ATOM 985 CB GLN A 62 13.021 -1.562 5.398 1.00 0.85 C ATOM 986 CG GLN A 62 13.768 -0.434 6.109 1.00 1.27 C ATOM 987 CD GLN A 62 14.644 0.419 5.202 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.571 -0.123 4.602 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.404 1.751 5.071 1.00 2.16 N ATOM 0 H GLN A 62 10.859 -0.239 5.522 1.00 0.67 H new ATOM 0 HA GLN A 62 12.838 -0.519 3.524 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.365 -2.061 6.111 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.740 -2.305 5.052 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.041 0.212 6.601 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.391 -0.866 6.892 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.630 2.182 5.577 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.998 2.319 4.467 1.00 2.16 H new ATOM 998 N LYS A 63 12.495 -3.209 3.173 1.00 0.64 N ATOM 999 CA LYS A 63 12.172 -4.512 2.683 1.00 0.62 C ATOM 1000 C LYS A 63 11.459 -5.392 3.653 1.00 0.59 C ATOM 1001 O LYS A 63 11.736 -5.333 4.850 1.00 0.66 O ATOM 1002 CB LYS A 63 13.436 -5.286 2.272 1.00 0.74 C ATOM 1003 CG LYS A 63 14.361 -5.777 3.387 1.00 0.89 C ATOM 1004 CD LYS A 63 15.465 -6.607 2.729 1.00 1.11 C ATOM 1005 CE LYS A 63 16.476 -7.248 3.683 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.800 -8.279 4.502 1.00 2.12 N ATOM 0 H LYS A 63 13.500 -3.036 3.198 1.00 0.64 H new ATOM 0 HA LYS A 63 11.512 -4.302 1.842 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.124 -6.152 1.689 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.019 -4.648 1.608 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.787 -4.935 3.932 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.808 -6.377 4.109 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.998 -7.397 2.141 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.007 -5.968 2.032 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.292 -7.696 3.117 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.916 -6.487 4.328 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.503 -8.963 4.849 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.329 -7.826 5.311 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.092 -8.774 3.922 1.00 2.12 H new ATOM 1020 N GLU A 64 10.563 -6.268 3.162 1.00 0.57 N ATOM 1021 CA GLU A 64 9.934 -7.251 3.987 1.00 0.58 C ATOM 1022 C GLU A 64 9.077 -6.620 5.031 1.00 0.56 C ATOM 1023 O GLU A 64 8.926 -7.104 6.152 1.00 0.70 O ATOM 1024 CB GLU A 64 10.923 -8.314 4.491 1.00 0.72 C ATOM 1025 CG GLU A 64 11.610 -9.103 3.375 1.00 0.96 C ATOM 1026 CD GLU A 64 12.533 -10.158 3.969 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.060 -10.997 4.780 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.777 -10.038 3.805 1.00 1.69 O ATOM 0 H GLU A 64 10.273 -6.294 2.184 1.00 0.57 H new ATOM 0 HA GLU A 64 9.240 -7.823 3.372 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.685 -7.827 5.100 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.393 -9.010 5.141 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.861 -9.579 2.742 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.181 -8.426 2.739 1.00 0.96 H new ATOM 1035 N SER A 65 8.390 -5.549 4.595 1.00 0.51 N ATOM 1036 CA SER A 65 7.622 -4.746 5.496 1.00 0.51 C ATOM 1037 C SER A 65 6.157 -4.817 5.233 1.00 0.43 C ATOM 1038 O SER A 65 5.727 -5.096 4.115 1.00 0.50 O ATOM 1039 CB SER A 65 8.211 -3.325 5.555 1.00 0.65 C ATOM 1040 OG SER A 65 7.902 -2.672 6.777 1.00 1.04 O ATOM 0 H SER A 65 8.366 -5.240 3.623 1.00 0.51 H new ATOM 0 HA SER A 65 7.705 -5.157 6.502 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.293 -3.376 5.435 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.825 -2.737 4.722 1.00 0.65 H new ATOM 0 HG SER A 65 8.295 -1.774 6.776 1.00 1.04 H new ATOM 1046 N THR A 66 5.305 -4.712 6.268 1.00 0.45 N ATOM 1047 CA THR A 66 3.900 -4.747 6.006 1.00 0.45 C ATOM 1048 C THR A 66 3.285 -3.399 5.845 1.00 0.43 C ATOM 1049 O THR A 66 3.390 -2.498 6.676 1.00 0.58 O ATOM 1050 CB THR A 66 3.248 -5.445 7.162 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.829 -6.720 7.394 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.807 -5.831 6.788 1.00 0.78 C ATOM 0 H THR A 66 5.572 -4.607 7.247 1.00 0.45 H new ATOM 0 HA THR A 66 3.749 -5.266 5.059 1.00 0.45 H new ATOM 0 HB THR A 66 3.341 -4.765 8.009 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.384 -7.149 8.154 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.336 -6.338 7.630 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.241 -4.932 6.543 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.821 -6.497 5.925 1.00 0.78 H new ATOM 1060 N LEU A 67 2.518 -3.236 4.752 1.00 0.38 N ATOM 1061 CA LEU A 67 1.748 -2.057 4.501 1.00 0.38 C ATOM 1062 C LEU A 67 0.321 -2.485 4.539 1.00 0.37 C ATOM 1063 O LEU A 67 -0.080 -3.502 3.976 1.00 0.50 O ATOM 1064 CB LEU A 67 1.995 -1.369 3.148 1.00 0.46 C ATOM 1065 CG LEU A 67 3.394 -0.815 2.829 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.309 -0.283 1.389 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.775 0.365 3.740 1.00 1.31 C ATOM 0 H LEU A 67 2.431 -3.944 4.023 1.00 0.38 H new ATOM 0 HA LEU A 67 2.034 -1.322 5.253 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.740 -2.084 2.366 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.289 -0.542 3.067 1.00 0.46 H new ATOM 0 HG LEU A 67 4.139 -1.597 2.972 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.275 0.128 1.095 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.041 -1.097 0.716 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.551 0.498 1.334 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.771 0.721 3.476 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.054 1.172 3.610 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.770 0.038 4.780 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.550 -1.750 5.252 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.910 -2.152 5.437 1.00 0.37 C ATOM 1081 C HIS A 68 -2.800 -1.536 4.413 1.00 0.35 C ATOM 1082 O HIS A 68 -3.009 -0.336 4.246 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.392 -1.847 6.866 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.710 -2.811 7.790 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.464 -2.623 8.354 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.109 -4.053 8.174 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.141 -3.766 9.016 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.108 -4.658 8.907 1.00 1.51 N ATOM 0 H HIS A 68 -0.309 -0.868 5.705 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.959 -3.232 5.301 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.152 -0.820 7.140 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.475 -1.951 6.935 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.065 -4.499 7.941 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.781 -3.923 9.557 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.114 -5.604 9.288 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.586 -2.324 3.658 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.531 -1.861 2.690 1.00 0.38 C ATOM 1098 C LEU A 69 -5.882 -1.717 3.304 1.00 0.41 C ATOM 1099 O LEU A 69 -6.473 -2.678 3.794 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.404 -2.740 1.434 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.408 -2.476 0.299 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.000 -1.305 -0.611 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.529 -3.703 -0.621 1.00 1.14 C ATOM 0 H LEU A 69 -3.560 -3.341 3.727 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.325 -0.848 2.345 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.398 -2.617 1.033 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.501 -3.782 1.738 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.346 -2.244 0.804 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.750 -1.172 -1.391 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.926 -0.393 -0.019 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.035 -1.520 -1.069 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.244 -3.493 -1.416 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.556 -3.927 -1.058 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.872 -4.560 -0.041 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.413 -0.484 3.364 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.685 -0.087 3.885 1.00 0.56 C ATOM 1117 C VAL A 70 -8.496 0.357 2.717 1.00 0.55 C ATOM 1118 O VAL A 70 -8.110 1.216 1.925 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.527 1.091 4.800 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.921 1.360 5.392 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.499 0.748 5.890 1.00 0.97 C ATOM 0 H VAL A 70 -5.894 0.319 3.009 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.144 -0.909 4.434 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.162 1.979 4.284 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.870 2.212 6.070 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.622 1.579 4.587 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.260 0.480 5.939 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.380 1.600 6.559 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.846 -0.114 6.460 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.541 0.514 5.426 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.705 -0.197 2.515 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.578 0.166 1.442 1.00 0.84 C ATOM 1133 C LEU A 71 -11.495 1.218 1.963 1.00 0.85 C ATOM 1134 O LEU A 71 -11.993 1.215 3.087 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.401 -1.001 0.871 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.738 -1.874 -0.208 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -9.524 -2.749 0.147 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -11.811 -2.891 -0.632 1.00 2.78 C ATOM 0 H LEU A 71 -10.088 -0.923 3.120 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.963 0.515 0.612 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.687 -1.649 1.700 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.321 -0.592 0.454 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.365 -1.146 -0.929 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.195 -3.291 -0.739 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -8.713 -2.117 0.508 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -9.803 -3.460 0.925 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -11.406 -3.548 -1.402 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.111 -3.485 0.231 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -12.678 -2.362 -1.027 1.00 2.78 H new