USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 493 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -173:sc= -2.68! (180deg=-2.94!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= 0.024 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -12.9! C(o=-13!,f=-16!) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc=-0.00196 (180deg=-0.136) USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.0536 (180deg=-0.662) USER MOD Single : A 33 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.4!) USER MOD Single : A 35 SER OG : rot -54:sc= 0.322 USER MOD Single : A 38 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.27) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0864 (180deg=-0.995) USER MOD Single : A 44 SER OG : rot 180:sc= -0.525 USER MOD Single : A 49 GLN :FLIP amide:sc= -1.7 F(o=-2.3!,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.312 (180deg=-1.01) USER MOD Single : A 66 ASN : amide:sc= -0.0403 K(o=-0.04,f=-0.78) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0371 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -14.696 2.335 9.783 1.00 0.00 N ATOM 2 CA SER A 2 -14.626 0.903 9.551 1.00 0.00 C ATOM 3 C SER A 2 -13.579 0.291 10.483 1.00 0.00 C ATOM 4 O SER A 2 -13.957 -0.514 11.347 1.00 0.00 O ATOM 5 CB SER A 2 -14.287 0.588 8.092 1.00 0.00 C ATOM 6 OG SER A 2 -13.781 -0.734 7.936 1.00 0.00 O ATOM 0 HA SER A 2 -15.604 0.470 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.179 0.710 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.550 1.304 7.728 1.00 0.00 H new ATOM 0 HG SER A 2 -13.578 -0.897 6.991 1.00 0.00 H new ATOM 12 N GLY A 3 -12.304 0.675 10.291 1.00 0.00 N ATOM 13 CA GLY A 3 -11.216 0.167 11.110 1.00 0.00 C ATOM 14 C GLY A 3 -9.938 0.105 10.270 1.00 0.00 C ATOM 15 O GLY A 3 -8.900 0.599 10.738 1.00 0.00 O ATOM 0 H GLY A 3 -12.013 1.337 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.065 0.812 11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.464 -0.824 11.490 1.00 0.00 H new ATOM 19 N LYS A 4 -10.036 -0.489 9.068 1.00 0.00 N ATOM 20 CA LYS A 4 -8.896 -0.611 8.174 1.00 0.00 C ATOM 21 C LYS A 4 -8.413 0.785 7.776 1.00 0.00 C ATOM 22 O LYS A 4 -9.190 1.740 7.917 1.00 0.00 O ATOM 23 CB LYS A 4 -9.243 -1.505 6.982 1.00 0.00 C ATOM 24 CG LYS A 4 -8.978 -2.977 7.305 1.00 0.00 C ATOM 25 CD LYS A 4 -9.993 -3.507 8.321 1.00 0.00 C ATOM 26 CE LYS A 4 -9.373 -3.604 9.716 1.00 0.00 C ATOM 27 NZ LYS A 4 -10.368 -4.079 10.691 1.00 0.00 N ATOM 0 H LYS A 4 -10.900 -0.890 8.702 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.066 -1.103 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.291 -1.371 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.653 -1.207 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.030 -3.569 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.969 -3.090 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.861 -2.849 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.348 -4.489 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.522 -4.285 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.994 -2.628 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.930 -4.139 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.168 -3.415 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.710 -5.019 10.408 1.00 0.00 H new ATOM 41 N MET A 5 -7.161 0.874 7.293 1.00 0.00 N ATOM 42 CA MET A 5 -6.583 2.140 6.880 1.00 0.00 C ATOM 43 C MET A 5 -6.192 2.060 5.403 1.00 0.00 C ATOM 44 O MET A 5 -5.683 1.010 4.983 1.00 0.00 O ATOM 45 CB MET A 5 -5.344 2.461 7.719 1.00 0.00 C ATOM 46 CG MET A 5 -4.933 1.258 8.570 1.00 0.00 C ATOM 47 SD MET A 5 -6.045 1.097 9.999 1.00 0.00 S ATOM 48 CE MET A 5 -5.794 -0.657 10.398 1.00 0.00 C ATOM 0 H MET A 5 -6.538 0.074 7.184 1.00 0.00 H new ATOM 0 HA MET A 5 -7.320 2.930 7.027 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.521 2.746 7.064 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.549 3.315 8.365 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.966 0.349 7.969 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.905 1.378 8.911 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.496 -0.957 11.176 1.00 0.00 H new ATOM 0 HE2 MET A 5 -5.961 -1.261 9.506 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.774 -0.807 10.752 1.00 0.00 H new ATOM 58 N THR A 6 -6.433 3.153 4.655 1.00 0.00 N ATOM 59 CA THR A 6 -6.109 3.203 3.240 1.00 0.00 C ATOM 60 C THR A 6 -4.590 3.283 3.072 1.00 0.00 C ATOM 61 O THR A 6 -3.899 3.536 4.071 1.00 0.00 O ATOM 62 CB THR A 6 -6.852 4.383 2.610 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.211 5.531 3.160 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.298 4.494 3.101 1.00 0.00 C ATOM 0 H THR A 6 -6.852 4.009 5.019 1.00 0.00 H new ATOM 0 HA THR A 6 -6.434 2.301 2.722 1.00 0.00 H new ATOM 0 HB THR A 6 -6.843 4.279 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.630 6.342 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.780 5.347 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.839 3.583 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.306 4.631 4.182 1.00 0.00 H new ATOM 72 N GLY A 7 -4.108 3.072 1.835 1.00 0.00 N ATOM 73 CA GLY A 7 -2.686 3.120 1.542 1.00 0.00 C ATOM 74 C GLY A 7 -2.460 2.763 0.071 1.00 0.00 C ATOM 75 O GLY A 7 -2.560 1.575 -0.268 1.00 0.00 O ATOM 0 H GLY A 7 -4.695 2.866 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.293 4.115 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.147 2.423 2.184 1.00 0.00 H new ATOM 79 N ILE A 8 -2.162 3.780 -0.756 1.00 0.00 N ATOM 80 CA ILE A 8 -1.924 3.573 -2.174 1.00 0.00 C ATOM 81 C ILE A 8 -0.442 3.265 -2.398 1.00 0.00 C ATOM 82 O ILE A 8 0.397 3.869 -1.714 1.00 0.00 O ATOM 83 CB ILE A 8 -2.431 4.770 -2.983 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.283 5.716 -3.341 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.561 5.490 -2.245 1.00 0.00 C ATOM 86 CD1 ILE A 8 -0.648 5.326 -4.676 1.00 0.00 C ATOM 0 H ILE A 8 -2.083 4.751 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.488 2.712 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.845 4.399 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.654 6.739 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.529 5.692 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.903 6.336 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.389 4.800 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.197 5.848 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.165 6.014 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.256 4.311 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.399 5.374 -5.464 1.00 0.00 H new ATOM 98 N VAL A 9 -0.154 2.345 -3.337 1.00 0.00 N ATOM 99 CA VAL A 9 1.213 1.962 -3.645 1.00 0.00 C ATOM 100 C VAL A 9 1.762 2.881 -4.740 1.00 0.00 C ATOM 101 O VAL A 9 1.118 2.990 -5.795 1.00 0.00 O ATOM 102 CB VAL A 9 1.269 0.481 -4.026 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.083 0.098 -4.913 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.595 0.139 -4.707 1.00 0.00 C ATOM 0 H VAL A 9 -0.860 1.859 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 9 1.849 2.083 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 9 1.204 -0.103 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.147 -0.959 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.848 0.286 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.103 0.694 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.608 -0.919 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.704 0.736 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.419 0.356 -4.028 1.00 0.00 H new ATOM 114 N LYS A 10 2.918 3.512 -4.472 1.00 0.00 N ATOM 115 CA LYS A 10 3.543 4.412 -5.427 1.00 0.00 C ATOM 116 C LYS A 10 4.674 3.676 -6.149 1.00 0.00 C ATOM 117 O LYS A 10 4.806 3.849 -7.370 1.00 0.00 O ATOM 118 CB LYS A 10 3.990 5.700 -4.736 1.00 0.00 C ATOM 119 CG LYS A 10 2.818 6.669 -4.570 1.00 0.00 C ATOM 120 CD LYS A 10 3.313 8.110 -4.429 1.00 0.00 C ATOM 121 CE LYS A 10 2.512 9.055 -5.325 1.00 0.00 C ATOM 122 NZ LYS A 10 2.961 8.942 -6.724 1.00 0.00 N ATOM 0 H LYS A 10 3.431 3.408 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 10 2.825 4.719 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.413 5.465 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.779 6.175 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.153 6.592 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.235 6.393 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.227 8.428 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.370 8.163 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.450 8.818 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.632 10.082 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.842 9.858 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.964 8.668 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.394 8.220 -7.213 1.00 0.00 H new ATOM 136 N TRP A 11 5.456 2.884 -5.393 1.00 0.00 N ATOM 137 CA TRP A 11 6.564 2.132 -5.958 1.00 0.00 C ATOM 138 C TRP A 11 6.488 0.683 -5.476 1.00 0.00 C ATOM 139 O TRP A 11 5.833 0.434 -4.453 1.00 0.00 O ATOM 140 CB TRP A 11 7.893 2.808 -5.614 1.00 0.00 C ATOM 141 CG TRP A 11 7.744 4.223 -5.054 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.997 4.649 -3.808 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.296 5.392 -5.774 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.745 5.999 -3.675 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.305 6.464 -4.908 1.00 0.00 C ATOM 146 CE3 TRP A 11 6.897 5.535 -7.116 1.00 0.00 C ATOM 147 CZ2 TRP A 11 6.925 7.758 -5.285 1.00 0.00 C ATOM 148 CZ3 TRP A 11 6.519 6.833 -7.477 1.00 0.00 C ATOM 149 CH2 TRP A 11 6.523 7.924 -6.616 1.00 0.00 C ATOM 0 H TRP A 11 5.331 2.756 -4.389 1.00 0.00 H new ATOM 0 HA TRP A 11 6.498 2.119 -7.046 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.423 2.194 -4.886 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.512 2.846 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.353 4.015 -3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.861 6.554 -2.827 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.884 4.709 -7.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.941 8.582 -4.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.202 6.999 -8.496 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.217 8.897 -6.972 1.00 0.00 H new ATOM 160 N PHE A 12 7.148 -0.233 -6.209 1.00 0.00 N ATOM 161 CA PHE A 12 7.156 -1.642 -5.858 1.00 0.00 C ATOM 162 C PHE A 12 8.113 -2.389 -6.787 1.00 0.00 C ATOM 163 O PHE A 12 7.887 -2.370 -8.007 1.00 0.00 O ATOM 164 CB PHE A 12 5.725 -2.203 -5.979 1.00 0.00 C ATOM 165 CG PHE A 12 5.575 -3.348 -6.972 1.00 0.00 C ATOM 166 CD1 PHE A 12 6.294 -4.550 -6.780 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.712 -3.220 -8.086 1.00 0.00 C ATOM 168 CE1 PHE A 12 6.152 -5.616 -7.695 1.00 0.00 C ATOM 169 CE2 PHE A 12 4.571 -4.285 -9.000 1.00 0.00 C ATOM 170 CZ PHE A 12 5.293 -5.484 -8.806 1.00 0.00 C ATOM 0 H PHE A 12 7.681 -0.009 -7.049 1.00 0.00 H new ATOM 0 HA PHE A 12 7.497 -1.772 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.399 -2.546 -4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.055 -1.395 -6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.954 -4.653 -5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.160 -2.304 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.702 -6.533 -7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.911 -4.184 -9.849 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.187 -6.298 -9.507 1.00 0.00 H new ATOM 180 N ASN A 13 9.146 -3.023 -6.206 1.00 0.00 N ATOM 181 CA ASN A 13 10.126 -3.769 -6.976 1.00 0.00 C ATOM 182 C ASN A 13 9.672 -5.226 -7.098 1.00 0.00 C ATOM 183 O ASN A 13 9.409 -5.850 -6.060 1.00 0.00 O ATOM 184 CB ASN A 13 11.493 -3.757 -6.289 1.00 0.00 C ATOM 185 CG ASN A 13 12.158 -5.132 -6.366 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.830 -5.473 -7.327 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.936 -5.901 -5.305 1.00 0.00 N ATOM 0 H ASN A 13 9.314 -3.027 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 13 10.211 -3.300 -7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.134 -3.012 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.377 -3.463 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.337 -6.838 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.364 -5.555 -4.535 1.00 0.00 H new ATOM 194 N ALA A 14 9.589 -5.729 -8.343 1.00 0.00 N ATOM 195 CA ALA A 14 9.171 -7.097 -8.595 1.00 0.00 C ATOM 196 C ALA A 14 10.392 -7.937 -8.976 1.00 0.00 C ATOM 197 O ALA A 14 10.225 -8.917 -9.717 1.00 0.00 O ATOM 198 CB ALA A 14 8.230 -7.134 -9.801 1.00 0.00 C ATOM 0 H ALA A 14 9.809 -5.197 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 14 8.683 -7.480 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.918 -8.162 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.353 -6.520 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.748 -6.747 -10.679 1.00 0.00 H new ATOM 204 N ASP A 15 11.575 -7.544 -8.472 1.00 0.00 N ATOM 205 CA ASP A 15 12.809 -8.256 -8.759 1.00 0.00 C ATOM 206 C ASP A 15 13.180 -9.128 -7.557 1.00 0.00 C ATOM 207 O ASP A 15 13.498 -10.308 -7.762 1.00 0.00 O ATOM 208 CB ASP A 15 13.961 -7.280 -9.008 1.00 0.00 C ATOM 209 CG ASP A 15 13.593 -6.039 -9.823 1.00 0.00 C ATOM 210 OD1 ASP A 15 12.597 -6.032 -10.563 1.00 0.00 O ATOM 211 OD2 ASP A 15 14.388 -5.034 -9.674 1.00 0.00 O ATOM 0 H ASP A 15 11.691 -6.734 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 15 12.650 -8.863 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.360 -6.959 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.762 -7.810 -9.524 1.00 0.00 H new ATOM 216 N LYS A 16 13.133 -8.539 -6.349 1.00 0.00 N ATOM 217 CA LYS A 16 13.461 -9.259 -5.130 1.00 0.00 C ATOM 218 C LYS A 16 12.170 -9.720 -4.450 1.00 0.00 C ATOM 219 O LYS A 16 12.221 -10.696 -3.688 1.00 0.00 O ATOM 220 CB LYS A 16 14.359 -8.406 -4.230 1.00 0.00 C ATOM 221 CG LYS A 16 13.524 -7.484 -3.338 1.00 0.00 C ATOM 222 CD LYS A 16 13.592 -7.927 -1.876 1.00 0.00 C ATOM 223 CE LYS A 16 14.913 -7.498 -1.234 1.00 0.00 C ATOM 224 NZ LYS A 16 14.906 -6.051 -0.959 1.00 0.00 N ATOM 0 H LYS A 16 12.869 -7.565 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 16 14.037 -10.155 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.979 -9.054 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.034 -7.810 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.885 -6.460 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.487 -7.487 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.758 -7.496 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.489 -9.010 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.070 -8.050 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.743 -7.744 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.681 -5.818 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.034 -5.528 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.998 -5.784 -0.528 1.00 0.00 H new ATOM 238 N GLY A 17 11.057 -9.021 -4.734 1.00 0.00 N ATOM 239 CA GLY A 17 9.768 -9.357 -4.155 1.00 0.00 C ATOM 240 C GLY A 17 9.443 -8.367 -3.035 1.00 0.00 C ATOM 241 O GLY A 17 8.980 -8.809 -1.973 1.00 0.00 O ATOM 0 H GLY A 17 11.037 -8.219 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.993 -9.325 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.787 -10.374 -3.763 1.00 0.00 H new ATOM 245 N PHE A 18 9.688 -7.069 -3.289 1.00 0.00 N ATOM 246 CA PHE A 18 9.423 -6.030 -2.308 1.00 0.00 C ATOM 247 C PHE A 18 8.377 -5.063 -2.867 1.00 0.00 C ATOM 248 O PHE A 18 8.195 -5.033 -4.093 1.00 0.00 O ATOM 249 CB PHE A 18 10.735 -5.289 -1.988 1.00 0.00 C ATOM 250 CG PHE A 18 10.556 -3.845 -1.533 1.00 0.00 C ATOM 251 CD1 PHE A 18 10.161 -2.855 -2.462 1.00 0.00 C ATOM 252 CD2 PHE A 18 10.775 -3.489 -0.183 1.00 0.00 C ATOM 253 CE1 PHE A 18 9.989 -1.518 -2.044 1.00 0.00 C ATOM 254 CE2 PHE A 18 10.603 -2.152 0.234 1.00 0.00 C ATOM 255 CZ PHE A 18 10.210 -1.167 -0.696 1.00 0.00 C ATOM 0 H PHE A 18 10.070 -6.726 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 18 9.036 -6.470 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.266 -5.838 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.369 -5.300 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 18 9.990 -3.123 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.075 -4.242 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.688 -0.764 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.772 -1.883 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.078 -0.144 -0.376 1.00 0.00 H new ATOM 265 N GLY A 19 7.719 -4.305 -1.971 1.00 0.00 N ATOM 266 CA GLY A 19 6.701 -3.349 -2.371 1.00 0.00 C ATOM 267 C GLY A 19 6.754 -2.135 -1.442 1.00 0.00 C ATOM 268 O GLY A 19 6.975 -2.323 -0.237 1.00 0.00 O ATOM 0 H GLY A 19 7.883 -4.345 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.863 -3.039 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.715 -3.811 -2.328 1.00 0.00 H new ATOM 272 N PHE A 20 6.557 -0.931 -2.010 1.00 0.00 N ATOM 273 CA PHE A 20 6.583 0.299 -1.238 1.00 0.00 C ATOM 274 C PHE A 20 5.211 0.972 -1.313 1.00 0.00 C ATOM 275 O PHE A 20 4.862 1.477 -2.389 1.00 0.00 O ATOM 276 CB PHE A 20 7.680 1.227 -1.796 1.00 0.00 C ATOM 277 CG PHE A 20 7.837 2.545 -1.052 1.00 0.00 C ATOM 278 CD1 PHE A 20 6.834 3.538 -1.148 1.00 0.00 C ATOM 279 CD2 PHE A 20 8.981 2.783 -0.253 1.00 0.00 C ATOM 280 CE1 PHE A 20 6.975 4.759 -0.454 1.00 0.00 C ATOM 281 CE2 PHE A 20 9.121 4.004 0.440 1.00 0.00 C ATOM 282 CZ PHE A 20 8.119 4.992 0.338 1.00 0.00 C ATOM 0 H PHE A 20 6.378 -0.797 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 20 6.808 0.083 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.632 0.697 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.459 1.440 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.958 3.361 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.749 2.028 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.207 5.515 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.995 4.182 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.228 5.927 0.867 1.00 0.00 H new ATOM 292 N ILE A 21 4.475 0.966 -0.188 1.00 0.00 N ATOM 293 CA ILE A 21 3.156 1.571 -0.127 1.00 0.00 C ATOM 294 C ILE A 21 3.252 2.922 0.584 1.00 0.00 C ATOM 295 O ILE A 21 4.131 3.076 1.445 1.00 0.00 O ATOM 296 CB ILE A 21 2.152 0.609 0.513 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.051 -0.690 -0.289 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.789 1.279 0.694 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.730 -1.407 -0.005 1.00 0.00 C ATOM 0 H ILE A 21 4.783 0.544 0.688 1.00 0.00 H new ATOM 0 HA ILE A 21 2.780 1.764 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 21 2.515 0.347 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.129 -0.471 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.886 -1.344 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.095 0.574 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.895 2.152 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.404 1.590 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.683 -2.327 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.666 -1.646 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.102 -0.760 -0.282 1.00 0.00 H new ATOM 311 N THR A 22 2.360 3.860 0.218 1.00 0.00 N ATOM 312 CA THR A 22 2.345 5.184 0.816 1.00 0.00 C ATOM 313 C THR A 22 1.044 5.370 1.600 1.00 0.00 C ATOM 314 O THR A 22 -0.005 4.915 1.118 1.00 0.00 O ATOM 315 CB THR A 22 2.542 6.223 -0.289 1.00 0.00 C ATOM 316 OG1 THR A 22 3.467 5.609 -1.182 1.00 0.00 O ATOM 317 CG2 THR A 22 3.276 7.473 0.205 1.00 0.00 C ATOM 0 H THR A 22 1.643 3.713 -0.492 1.00 0.00 H new ATOM 0 HA THR A 22 3.160 5.311 1.529 1.00 0.00 H new ATOM 0 HB THR A 22 1.572 6.508 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.773 6.268 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.389 8.178 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.702 7.940 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.260 7.193 0.581 1.00 0.00 H new ATOM 325 N PRO A 23 1.134 6.024 2.772 1.00 0.00 N ATOM 326 CA PRO A 23 -0.005 6.283 3.636 1.00 0.00 C ATOM 327 C PRO A 23 -0.877 7.407 3.071 1.00 0.00 C ATOM 328 O PRO A 23 -0.709 7.746 1.890 1.00 0.00 O ATOM 329 CB PRO A 23 0.597 6.622 4.990 1.00 0.00 C ATOM 330 CG PRO A 23 2.046 6.993 4.720 1.00 0.00 C ATOM 331 CD PRO A 23 2.388 6.545 3.310 1.00 0.00 C ATOM 0 HA PRO A 23 -0.675 5.427 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.063 7.448 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.531 5.773 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.190 8.068 4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.704 6.512 5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.762 7.375 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.165 5.780 3.315 1.00 0.00 H new ATOM 339 N ASP A 24 -1.775 7.952 3.911 1.00 0.00 N ATOM 340 CA ASP A 24 -2.662 9.027 3.496 1.00 0.00 C ATOM 341 C ASP A 24 -1.839 10.287 3.228 1.00 0.00 C ATOM 342 O ASP A 24 -2.432 11.314 2.869 1.00 0.00 O ATOM 343 CB ASP A 24 -3.680 9.351 4.591 1.00 0.00 C ATOM 344 CG ASP A 24 -3.154 9.230 6.021 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.138 9.845 6.383 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.839 8.454 6.792 1.00 0.00 O ATOM 0 H ASP A 24 -1.897 7.658 4.880 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.188 8.704 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.043 10.367 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.536 8.686 4.478 1.00 0.00 H new ATOM 351 N ASP A 25 -0.508 10.186 3.402 1.00 0.00 N ATOM 352 CA ASP A 25 0.385 11.310 3.179 1.00 0.00 C ATOM 353 C ASP A 25 1.139 11.621 4.472 1.00 0.00 C ATOM 354 O ASP A 25 1.940 12.567 4.475 1.00 0.00 O ATOM 355 CB ASP A 25 -0.396 12.562 2.773 1.00 0.00 C ATOM 356 CG ASP A 25 0.460 13.808 2.533 1.00 0.00 C ATOM 357 OD1 ASP A 25 1.148 13.922 1.508 1.00 0.00 O ATOM 358 OD2 ASP A 25 0.400 14.698 3.465 1.00 0.00 O ATOM 0 H ASP A 25 -0.038 9.330 3.697 1.00 0.00 H new ATOM 0 HA ASP A 25 1.074 11.040 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.956 12.344 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.126 12.785 3.551 1.00 0.00 H new ATOM 363 N GLY A 26 0.873 10.832 5.528 1.00 0.00 N ATOM 364 CA GLY A 26 1.521 11.022 6.815 1.00 0.00 C ATOM 365 C GLY A 26 3.032 11.145 6.606 1.00 0.00 C ATOM 366 O GLY A 26 3.718 11.623 7.521 1.00 0.00 O ATOM 0 H GLY A 26 0.210 10.057 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.135 11.918 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.300 10.182 7.474 1.00 0.00 H new ATOM 370 N SER A 27 3.513 10.715 5.425 1.00 0.00 N ATOM 371 CA SER A 27 4.928 10.776 5.102 1.00 0.00 C ATOM 372 C SER A 27 5.562 9.404 5.341 1.00 0.00 C ATOM 373 O SER A 27 6.425 9.006 4.545 1.00 0.00 O ATOM 374 CB SER A 27 5.647 11.842 5.932 1.00 0.00 C ATOM 375 OG SER A 27 6.863 12.265 5.321 1.00 0.00 O ATOM 0 H SER A 27 2.931 10.323 4.685 1.00 0.00 H new ATOM 0 HA SER A 27 5.030 11.052 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.990 12.702 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.859 11.446 6.925 1.00 0.00 H new ATOM 0 HG SER A 27 7.291 12.946 5.881 1.00 0.00 H new ATOM 381 N LYS A 28 5.127 8.718 6.412 1.00 0.00 N ATOM 382 CA LYS A 28 5.647 7.404 6.749 1.00 0.00 C ATOM 383 C LYS A 28 5.629 6.519 5.502 1.00 0.00 C ATOM 384 O LYS A 28 4.779 6.747 4.629 1.00 0.00 O ATOM 385 CB LYS A 28 4.883 6.812 7.935 1.00 0.00 C ATOM 386 CG LYS A 28 5.253 7.525 9.237 1.00 0.00 C ATOM 387 CD LYS A 28 6.743 7.362 9.547 1.00 0.00 C ATOM 388 CE LYS A 28 6.961 7.014 11.021 1.00 0.00 C ATOM 389 NZ LYS A 28 6.244 7.965 11.886 1.00 0.00 N ATOM 0 H LYS A 28 4.414 9.063 7.054 1.00 0.00 H new ATOM 0 HA LYS A 28 6.685 7.477 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.810 6.899 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.107 5.749 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.008 8.584 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.661 7.121 10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.165 6.578 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.272 8.284 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.612 6.000 11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.026 7.035 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.745 8.055 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.202 8.894 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.278 7.619 12.057 1.00 0.00 H new ATOM 403 N ASP A 29 6.551 5.541 5.444 1.00 0.00 N ATOM 404 CA ASP A 29 6.638 4.632 4.313 1.00 0.00 C ATOM 405 C ASP A 29 6.540 3.189 4.816 1.00 0.00 C ATOM 406 O ASP A 29 7.434 2.760 5.560 1.00 0.00 O ATOM 407 CB ASP A 29 7.976 4.787 3.585 1.00 0.00 C ATOM 408 CG ASP A 29 9.157 5.176 4.475 1.00 0.00 C ATOM 409 OD1 ASP A 29 9.397 4.365 5.449 1.00 0.00 O ATOM 410 OD2 ASP A 29 9.814 6.204 4.251 1.00 0.00 O ATOM 0 H ASP A 29 7.242 5.369 6.174 1.00 0.00 H new ATOM 0 HA ASP A 29 5.823 4.866 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.211 3.847 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.863 5.542 2.807 1.00 0.00 H new ATOM 415 N VAL A 30 5.472 2.482 4.408 1.00 0.00 N ATOM 416 CA VAL A 30 5.261 1.102 4.812 1.00 0.00 C ATOM 417 C VAL A 30 5.658 0.172 3.665 1.00 0.00 C ATOM 418 O VAL A 30 5.245 0.430 2.525 1.00 0.00 O ATOM 419 CB VAL A 30 3.813 0.906 5.267 1.00 0.00 C ATOM 420 CG1 VAL A 30 3.679 1.119 6.777 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.866 1.829 4.497 1.00 0.00 C ATOM 0 H VAL A 30 4.745 2.855 3.797 1.00 0.00 H new ATOM 0 HA VAL A 30 5.893 0.853 5.665 1.00 0.00 H new ATOM 0 HB VAL A 30 3.529 -0.123 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.640 0.974 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.310 0.403 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.991 2.132 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.844 1.669 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.149 2.867 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.930 1.609 3.431 1.00 0.00 H new ATOM 431 N PHE A 31 6.440 -0.876 3.983 1.00 0.00 N ATOM 432 CA PHE A 31 6.887 -1.833 2.985 1.00 0.00 C ATOM 433 C PHE A 31 5.869 -2.972 2.885 1.00 0.00 C ATOM 434 O PHE A 31 5.045 -3.108 3.800 1.00 0.00 O ATOM 435 CB PHE A 31 8.273 -2.375 3.388 1.00 0.00 C ATOM 436 CG PHE A 31 8.269 -3.293 4.602 1.00 0.00 C ATOM 437 CD1 PHE A 31 7.636 -4.556 4.542 1.00 0.00 C ATOM 438 CD2 PHE A 31 8.892 -2.881 5.803 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.630 -5.402 5.672 1.00 0.00 C ATOM 440 CE2 PHE A 31 8.885 -3.728 6.933 1.00 0.00 C ATOM 441 CZ PHE A 31 8.255 -4.987 6.866 1.00 0.00 C ATOM 0 H PHE A 31 6.770 -1.072 4.928 1.00 0.00 H new ATOM 0 HA PHE A 31 6.968 -1.351 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.696 -2.916 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.933 -1.531 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.156 -4.874 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.374 -1.916 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.147 -6.367 5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.362 -3.411 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.251 -5.635 7.730 1.00 0.00 H new ATOM 451 N VAL A 32 5.944 -3.751 1.792 1.00 0.00 N ATOM 452 CA VAL A 32 5.035 -4.865 1.576 1.00 0.00 C ATOM 453 C VAL A 32 5.756 -5.961 0.789 1.00 0.00 C ATOM 454 O VAL A 32 6.780 -5.659 0.160 1.00 0.00 O ATOM 455 CB VAL A 32 3.760 -4.372 0.885 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.178 -3.159 1.611 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.023 -4.059 -0.589 1.00 0.00 C ATOM 0 H VAL A 32 6.630 -3.620 1.049 1.00 0.00 H new ATOM 0 HA VAL A 32 4.727 -5.298 2.528 1.00 0.00 H new ATOM 0 HB VAL A 32 3.022 -5.173 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.273 -2.829 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.936 -3.431 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.909 -2.351 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.102 -3.711 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.785 -3.283 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.370 -4.960 -1.096 1.00 0.00 H new ATOM 467 N HIS A 33 5.216 -7.191 0.839 1.00 0.00 N ATOM 468 CA HIS A 33 5.805 -8.319 0.137 1.00 0.00 C ATOM 469 C HIS A 33 4.701 -9.101 -0.578 1.00 0.00 C ATOM 470 O HIS A 33 3.590 -9.185 -0.035 1.00 0.00 O ATOM 471 CB HIS A 33 6.625 -9.190 1.090 1.00 0.00 C ATOM 472 CG HIS A 33 8.116 -9.107 0.868 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.853 -10.147 0.328 1.00 0.00 N ATOM 474 CD2 HIS A 33 9.000 -8.097 1.116 1.00 0.00 C ATOM 475 CE1 HIS A 33 10.121 -9.770 0.259 1.00 0.00 C ATOM 476 NE2 HIS A 33 10.211 -8.499 0.749 1.00 0.00 N ATOM 0 H HIS A 33 4.371 -7.418 1.362 1.00 0.00 H new ATOM 0 HA HIS A 33 6.503 -7.959 -0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.404 -8.896 2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.309 -10.227 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.756 -7.134 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.940 -10.364 -0.119 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.067 -7.949 0.821 1.00 0.00 H new ATOM 484 N PHE A 34 5.021 -9.650 -1.763 1.00 0.00 N ATOM 485 CA PHE A 34 4.065 -10.417 -2.542 1.00 0.00 C ATOM 486 C PHE A 34 3.284 -11.348 -1.610 1.00 0.00 C ATOM 487 O PHE A 34 2.127 -11.659 -1.923 1.00 0.00 O ATOM 488 CB PHE A 34 4.816 -11.225 -3.618 1.00 0.00 C ATOM 489 CG PHE A 34 5.201 -10.426 -4.857 1.00 0.00 C ATOM 490 CD1 PHE A 34 5.786 -9.146 -4.728 1.00 0.00 C ATOM 491 CD2 PHE A 34 4.969 -10.962 -6.145 1.00 0.00 C ATOM 492 CE1 PHE A 34 6.138 -8.407 -5.878 1.00 0.00 C ATOM 493 CE2 PHE A 34 5.321 -10.222 -7.294 1.00 0.00 C ATOM 494 CZ PHE A 34 5.906 -8.946 -7.161 1.00 0.00 C ATOM 0 H PHE A 34 5.942 -9.569 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 34 3.361 -9.748 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.720 -11.642 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.193 -12.066 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.964 -8.732 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.522 -11.939 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.585 -7.429 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.142 -10.634 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.176 -8.381 -8.041 1.00 0.00 H new ATOM 504 N SER A 35 3.924 -11.765 -0.504 1.00 0.00 N ATOM 505 CA SER A 35 3.295 -12.651 0.461 1.00 0.00 C ATOM 506 C SER A 35 2.232 -11.874 1.242 1.00 0.00 C ATOM 507 O SER A 35 2.184 -12.017 2.474 1.00 0.00 O ATOM 508 CB SER A 35 4.322 -13.255 1.420 1.00 0.00 C ATOM 509 OG SER A 35 3.759 -14.284 2.227 1.00 0.00 O ATOM 0 H SER A 35 4.879 -11.496 -0.266 1.00 0.00 H new ATOM 0 HA SER A 35 2.828 -13.475 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.158 -13.659 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.724 -12.471 2.061 1.00 0.00 H new ATOM 0 HG SER A 35 2.965 -13.941 2.687 1.00 0.00 H new ATOM 515 N ALA A 36 1.416 -11.082 0.525 1.00 0.00 N ATOM 516 CA ALA A 36 0.366 -10.293 1.147 1.00 0.00 C ATOM 517 C ALA A 36 -0.289 -9.402 0.090 1.00 0.00 C ATOM 518 O ALA A 36 -0.028 -8.189 0.097 1.00 0.00 O ATOM 519 CB ALA A 36 0.978 -9.350 2.185 1.00 0.00 C ATOM 0 H ALA A 36 1.473 -10.979 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.354 -10.973 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.189 -8.759 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.492 -9.934 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.690 -8.684 1.697 1.00 0.00 H new ATOM 525 N ILE A 37 -1.115 -10.008 -0.781 1.00 0.00 N ATOM 526 CA ILE A 37 -1.798 -9.275 -1.832 1.00 0.00 C ATOM 527 C ILE A 37 -3.130 -9.959 -2.143 1.00 0.00 C ATOM 528 O ILE A 37 -3.442 -10.133 -3.331 1.00 0.00 O ATOM 529 CB ILE A 37 -0.890 -9.112 -3.053 1.00 0.00 C ATOM 530 CG1 ILE A 37 -1.592 -8.321 -4.159 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.393 -10.472 -3.548 1.00 0.00 C ATOM 532 CD1 ILE A 37 -1.693 -9.146 -5.444 1.00 0.00 C ATOM 0 H ILE A 37 -1.318 -11.007 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.029 -8.263 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.014 -8.536 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.590 -8.033 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.044 -7.400 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.250 -10.330 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.171 -10.964 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.246 -11.092 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.196 -8.561 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.692 -9.411 -5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.263 -10.055 -5.249 1.00 0.00 H new ATOM 544 N GLN A 38 -3.877 -10.329 -1.088 1.00 0.00 N ATOM 545 CA GLN A 38 -5.163 -10.989 -1.247 1.00 0.00 C ATOM 546 C GLN A 38 -5.090 -11.959 -2.429 1.00 0.00 C ATOM 547 O GLN A 38 -6.085 -12.076 -3.157 1.00 0.00 O ATOM 548 CB GLN A 38 -6.294 -9.978 -1.438 1.00 0.00 C ATOM 549 CG GLN A 38 -6.074 -8.739 -0.567 1.00 0.00 C ATOM 550 CD GLN A 38 -6.229 -9.078 0.918 1.00 0.00 C ATOM 551 OE1 GLN A 38 -7.322 -9.250 1.431 1.00 0.00 O ATOM 552 NE2 GLN A 38 -5.077 -9.164 1.576 1.00 0.00 N ATOM 0 H GLN A 38 -3.602 -10.177 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.385 -11.545 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.351 -9.685 -2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.247 -10.441 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.079 -8.334 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.789 -7.964 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.197 -9.008 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.074 -9.386 2.572 1.00 0.00 H new ATOM 561 N ASN A 39 -3.932 -12.623 -2.593 1.00 0.00 N ATOM 562 CA ASN A 39 -3.734 -13.572 -3.675 1.00 0.00 C ATOM 563 C ASN A 39 -4.235 -12.958 -4.984 1.00 0.00 C ATOM 564 O ASN A 39 -4.416 -11.732 -5.029 1.00 0.00 O ATOM 565 CB ASN A 39 -4.520 -14.861 -3.427 1.00 0.00 C ATOM 566 CG ASN A 39 -3.697 -16.089 -3.821 1.00 0.00 C ATOM 567 OD1 ASN A 39 -4.109 -16.916 -4.617 1.00 0.00 O ATOM 568 ND2 ASN A 39 -2.512 -16.161 -3.220 1.00 0.00 N ATOM 0 H ASN A 39 -3.123 -12.511 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.670 -13.803 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.796 -14.926 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.448 -14.841 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.887 -16.943 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.228 -15.434 -2.563 1.00 0.00 H new ATOM 575 N ASP A 40 -4.445 -13.806 -6.006 1.00 0.00 N ATOM 576 CA ASP A 40 -4.920 -13.350 -7.300 1.00 0.00 C ATOM 577 C ASP A 40 -4.539 -14.375 -8.370 1.00 0.00 C ATOM 578 O ASP A 40 -5.407 -14.737 -9.177 1.00 0.00 O ATOM 579 CB ASP A 40 -4.284 -12.011 -7.681 1.00 0.00 C ATOM 580 CG ASP A 40 -4.259 -11.709 -9.180 1.00 0.00 C ATOM 581 OD1 ASP A 40 -5.259 -12.177 -9.848 1.00 0.00 O ATOM 582 OD2 ASP A 40 -3.332 -11.059 -9.685 1.00 0.00 O ATOM 0 H ASP A 40 -4.289 -14.812 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.002 -13.231 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.825 -11.212 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.261 -11.992 -7.305 1.00 0.00 H new ATOM 587 N GLY A 41 -3.267 -14.815 -8.355 1.00 0.00 N ATOM 588 CA GLY A 41 -2.779 -15.788 -9.317 1.00 0.00 C ATOM 589 C GLY A 41 -1.639 -15.169 -10.128 1.00 0.00 C ATOM 590 O GLY A 41 -0.525 -15.715 -10.091 1.00 0.00 O ATOM 0 H GLY A 41 -2.567 -14.504 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.430 -16.683 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.587 -16.097 -9.981 1.00 0.00 H new ATOM 594 N TYR A 42 -1.932 -14.063 -10.831 1.00 0.00 N ATOM 595 CA TYR A 42 -0.893 -13.428 -11.625 1.00 0.00 C ATOM 596 C TYR A 42 -0.274 -12.280 -10.827 1.00 0.00 C ATOM 597 O TYR A 42 -0.931 -11.236 -10.703 1.00 0.00 O ATOM 598 CB TYR A 42 -1.474 -12.945 -12.968 1.00 0.00 C ATOM 599 CG TYR A 42 -2.893 -12.399 -12.881 1.00 0.00 C ATOM 600 CD1 TYR A 42 -3.993 -13.280 -12.766 1.00 0.00 C ATOM 601 CD2 TYR A 42 -3.117 -11.004 -12.922 1.00 0.00 C ATOM 602 CE1 TYR A 42 -5.306 -12.769 -12.690 1.00 0.00 C ATOM 603 CE2 TYR A 42 -4.431 -10.493 -12.844 1.00 0.00 C ATOM 604 CZ TYR A 42 -5.526 -11.374 -12.729 1.00 0.00 C ATOM 605 OH TYR A 42 -6.795 -10.876 -12.654 1.00 0.00 O ATOM 0 H TYR A 42 -2.846 -13.611 -10.861 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.106 -14.147 -11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.824 -12.170 -13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.460 -13.774 -13.675 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.828 -14.347 -12.736 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.281 -10.327 -13.013 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.144 -13.445 -12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.598 -9.426 -12.872 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.765 -9.897 -12.694 1.00 0.00 H new ATOM 615 N LYS A 43 0.947 -12.490 -10.302 1.00 0.00 N ATOM 616 CA LYS A 43 1.631 -11.477 -9.516 1.00 0.00 C ATOM 617 C LYS A 43 1.998 -10.298 -10.419 1.00 0.00 C ATOM 618 O LYS A 43 2.996 -10.402 -11.147 1.00 0.00 O ATOM 619 CB LYS A 43 2.829 -12.087 -8.783 1.00 0.00 C ATOM 620 CG LYS A 43 2.499 -13.489 -8.267 1.00 0.00 C ATOM 621 CD LYS A 43 1.216 -13.479 -7.434 1.00 0.00 C ATOM 622 CE LYS A 43 1.336 -14.418 -6.230 1.00 0.00 C ATOM 623 NZ LYS A 43 1.965 -15.688 -6.629 1.00 0.00 N ATOM 0 H LYS A 43 1.471 -13.358 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 43 0.973 -11.090 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.685 -12.135 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.114 -11.446 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.385 -14.173 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.326 -13.862 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.009 -12.466 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.373 -13.783 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.927 -13.942 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.348 -14.610 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.633 -16.451 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.708 -15.909 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.999 -15.603 -6.552 1.00 0.00 H new ATOM 637 N SER A 44 1.199 -9.219 -10.354 1.00 0.00 N ATOM 638 CA SER A 44 1.439 -8.034 -11.159 1.00 0.00 C ATOM 639 C SER A 44 0.684 -6.849 -10.554 1.00 0.00 C ATOM 640 O SER A 44 -0.479 -7.027 -10.163 1.00 0.00 O ATOM 641 CB SER A 44 1.010 -8.248 -12.613 1.00 0.00 C ATOM 642 OG SER A 44 1.070 -9.621 -12.990 1.00 0.00 O ATOM 0 H SER A 44 0.382 -9.154 -9.747 1.00 0.00 H new ATOM 0 HA SER A 44 2.509 -7.828 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.006 -7.879 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.653 -7.663 -13.271 1.00 0.00 H new ATOM 0 HG SER A 44 0.787 -9.717 -13.924 1.00 0.00 H new ATOM 648 N LEU A 45 1.349 -5.681 -10.487 1.00 0.00 N ATOM 649 CA LEU A 45 0.746 -4.481 -9.933 1.00 0.00 C ATOM 650 C LEU A 45 1.254 -3.259 -10.699 1.00 0.00 C ATOM 651 O LEU A 45 2.251 -3.392 -11.426 1.00 0.00 O ATOM 652 CB LEU A 45 0.989 -4.406 -8.425 1.00 0.00 C ATOM 653 CG LEU A 45 0.061 -5.256 -7.554 1.00 0.00 C ATOM 654 CD1 LEU A 45 0.835 -6.383 -6.867 1.00 0.00 C ATOM 655 CD2 LEU A 45 -0.695 -4.386 -6.548 1.00 0.00 C ATOM 0 H LEU A 45 2.307 -5.555 -10.814 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.337 -4.508 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.018 -4.707 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.896 -3.366 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.682 -5.722 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.153 -6.972 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.290 -7.024 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.614 -5.957 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.347 -5.014 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.018 -3.873 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.295 -3.650 -7.083 1.00 0.00 H new ATOM 667 N ASP A 46 0.574 -2.112 -10.525 1.00 0.00 N ATOM 668 CA ASP A 46 0.955 -0.881 -11.195 1.00 0.00 C ATOM 669 C ASP A 46 1.413 0.141 -10.154 1.00 0.00 C ATOM 670 O ASP A 46 0.922 0.086 -9.017 1.00 0.00 O ATOM 671 CB ASP A 46 -0.226 -0.279 -11.958 1.00 0.00 C ATOM 672 CG ASP A 46 -0.935 -1.241 -12.916 1.00 0.00 C ATOM 673 OD1 ASP A 46 -1.778 -2.041 -12.360 1.00 0.00 O ATOM 674 OD2 ASP A 46 -0.691 -1.225 -14.132 1.00 0.00 O ATOM 0 H ASP A 46 -0.243 -2.024 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 46 1.756 -1.115 -11.896 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.953 0.094 -11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.128 0.581 -12.527 1.00 0.00 H new ATOM 679 N GLU A 47 2.333 1.039 -10.554 1.00 0.00 N ATOM 680 CA GLU A 47 2.851 2.061 -9.660 1.00 0.00 C ATOM 681 C GLU A 47 1.840 3.204 -9.562 1.00 0.00 C ATOM 682 O GLU A 47 2.099 4.271 -10.140 1.00 0.00 O ATOM 683 CB GLU A 47 4.216 2.573 -10.124 1.00 0.00 C ATOM 684 CG GLU A 47 4.208 2.871 -11.625 1.00 0.00 C ATOM 685 CD GLU A 47 5.603 3.275 -12.110 1.00 0.00 C ATOM 686 OE1 GLU A 47 6.445 3.690 -11.300 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.797 3.145 -13.377 1.00 0.00 O ATOM 0 H GLU A 47 2.726 1.067 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 47 2.996 1.623 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.477 3.476 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.982 1.830 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.869 1.992 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.499 3.671 -11.837 1.00 0.00 H new ATOM 694 N GLY A 48 0.727 2.966 -8.844 1.00 0.00 N ATOM 695 CA GLY A 48 -0.309 3.970 -8.674 1.00 0.00 C ATOM 696 C GLY A 48 -1.654 3.275 -8.456 1.00 0.00 C ATOM 697 O GLY A 48 -2.548 3.438 -9.301 1.00 0.00 O ATOM 0 H GLY A 48 0.533 2.081 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.075 4.610 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.357 4.613 -9.553 1.00 0.00 H new ATOM 701 N GLN A 49 -1.773 2.526 -7.344 1.00 0.00 N ATOM 702 CA GLN A 49 -2.997 1.815 -7.021 1.00 0.00 C ATOM 703 C GLN A 49 -3.344 2.050 -5.550 1.00 0.00 C ATOM 704 O GLN A 49 -2.422 2.291 -4.757 1.00 0.00 O ATOM 705 CB GLN A 49 -2.876 0.321 -7.324 1.00 0.00 C ATOM 706 CG GLN A 49 -2.587 0.083 -8.809 1.00 0.00 C ATOM 707 CD GLN A 49 -3.128 -1.274 -9.262 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.324 -2.137 -8.271 1.00 0.00 O flip ATOM 709 NE2 GLN A 49 -3.353 -1.521 -10.435 1.00 0.00 N flip ATOM 0 H GLN A 49 -1.026 2.405 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.801 2.201 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.078 -0.112 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.799 -0.186 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.041 0.876 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.512 0.127 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.180 -0.812 -11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.714 -2.437 -10.703 1.00 0.00 H new ATOM 718 N LYS A 50 -4.646 1.977 -5.219 1.00 0.00 N ATOM 719 CA LYS A 50 -5.108 2.181 -3.856 1.00 0.00 C ATOM 720 C LYS A 50 -5.265 0.823 -3.168 1.00 0.00 C ATOM 721 O LYS A 50 -5.996 -0.026 -3.698 1.00 0.00 O ATOM 722 CB LYS A 50 -6.381 3.028 -3.842 1.00 0.00 C ATOM 723 CG LYS A 50 -6.603 3.662 -2.467 1.00 0.00 C ATOM 724 CD LYS A 50 -6.662 5.188 -2.569 1.00 0.00 C ATOM 725 CE LYS A 50 -8.089 5.664 -2.842 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.076 6.903 -3.636 1.00 0.00 N ATOM 0 H LYS A 50 -5.390 1.777 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.372 2.746 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.311 3.809 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.238 2.407 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.531 3.287 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.797 3.370 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.298 5.632 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.002 5.529 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.641 4.890 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.608 5.835 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.053 7.213 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.567 7.645 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.599 6.729 -4.544 1.00 0.00 H new ATOM 740 N VAL A 51 -4.586 0.648 -2.019 1.00 0.00 N ATOM 741 CA VAL A 51 -4.651 -0.594 -1.269 1.00 0.00 C ATOM 742 C VAL A 51 -4.983 -0.284 0.193 1.00 0.00 C ATOM 743 O VAL A 51 -4.824 0.875 0.601 1.00 0.00 O ATOM 744 CB VAL A 51 -3.344 -1.372 -1.433 1.00 0.00 C ATOM 745 CG1 VAL A 51 -2.427 -0.695 -2.452 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.637 -1.546 -0.087 1.00 0.00 C ATOM 0 H VAL A 51 -3.988 1.360 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.445 -1.233 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.590 -2.364 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.505 -1.268 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.929 -0.648 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.192 0.315 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.711 -2.102 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.410 -0.567 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.286 -2.093 0.597 1.00 0.00 H new ATOM 756 N SER A 52 -5.430 -1.311 0.939 1.00 0.00 N ATOM 757 CA SER A 52 -5.780 -1.148 2.340 1.00 0.00 C ATOM 758 C SER A 52 -4.849 -2.010 3.196 1.00 0.00 C ATOM 759 O SER A 52 -4.752 -3.216 2.930 1.00 0.00 O ATOM 760 CB SER A 52 -7.240 -1.526 2.599 1.00 0.00 C ATOM 761 OG SER A 52 -7.430 -2.059 3.906 1.00 0.00 O ATOM 0 H SER A 52 -5.553 -2.259 0.584 1.00 0.00 H new ATOM 0 HA SER A 52 -5.661 -0.098 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.870 -0.646 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.562 -2.258 1.859 1.00 0.00 H new ATOM 0 HG SER A 52 -8.375 -2.286 4.032 1.00 0.00 H new ATOM 767 N PHE A 53 -4.195 -1.383 4.190 1.00 0.00 N ATOM 768 CA PHE A 53 -3.283 -2.088 5.075 1.00 0.00 C ATOM 769 C PHE A 53 -3.828 -2.044 6.503 1.00 0.00 C ATOM 770 O PHE A 53 -4.939 -1.526 6.696 1.00 0.00 O ATOM 771 CB PHE A 53 -1.892 -1.428 5.000 1.00 0.00 C ATOM 772 CG PHE A 53 -1.885 0.070 5.276 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.281 0.558 6.542 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.475 0.979 4.273 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.270 1.945 6.803 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.465 2.365 4.535 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.864 2.849 5.800 1.00 0.00 C ATOM 0 H PHE A 53 -4.289 -0.388 4.392 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.193 -3.130 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.232 -1.919 5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.474 -1.603 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.593 -0.132 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.169 0.611 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.573 2.314 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.152 3.057 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.858 3.910 5.999 1.00 0.00 H new ATOM 787 N THR A 54 -3.051 -2.579 7.462 1.00 0.00 N ATOM 788 CA THR A 54 -3.454 -2.599 8.858 1.00 0.00 C ATOM 789 C THR A 54 -2.270 -2.177 9.731 1.00 0.00 C ATOM 790 O THR A 54 -2.197 -2.631 10.883 1.00 0.00 O ATOM 791 CB THR A 54 -3.988 -3.994 9.192 1.00 0.00 C ATOM 792 OG1 THR A 54 -4.155 -3.972 10.607 1.00 0.00 O ATOM 793 CG2 THR A 54 -2.949 -5.092 8.956 1.00 0.00 C ATOM 0 H THR A 54 -2.140 -3.002 7.283 1.00 0.00 H new ATOM 0 HA THR A 54 -4.257 -1.888 9.055 1.00 0.00 H new ATOM 0 HB THR A 54 -4.873 -4.197 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.279 -3.885 11.038 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.380 -6.061 9.208 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.649 -5.090 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.077 -4.908 9.583 1.00 0.00 H new ATOM 801 N ILE A 55 -1.385 -1.330 9.178 1.00 0.00 N ATOM 802 CA ILE A 55 -0.219 -0.853 9.901 1.00 0.00 C ATOM 803 C ILE A 55 0.377 -2.004 10.717 1.00 0.00 C ATOM 804 O ILE A 55 0.020 -2.135 11.898 1.00 0.00 O ATOM 805 CB ILE A 55 -0.575 0.376 10.740 1.00 0.00 C ATOM 806 CG1 ILE A 55 -0.984 1.548 9.847 1.00 0.00 C ATOM 807 CG2 ILE A 55 0.572 0.746 11.683 1.00 0.00 C ATOM 808 CD1 ILE A 55 -0.766 2.883 10.563 1.00 0.00 C ATOM 0 H ILE A 55 -1.466 -0.967 8.228 1.00 0.00 H new ATOM 0 HA ILE A 55 0.552 -0.523 9.205 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.436 0.129 11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.404 1.527 8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.033 1.448 9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.294 1.623 12.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.775 -0.089 12.354 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.466 0.968 11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.064 3.701 9.907 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.366 2.910 11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.288 2.990 10.820 1.00 0.00 H new ATOM 820 N GLU A 56 1.254 -2.801 10.082 1.00 0.00 N ATOM 821 CA GLU A 56 1.890 -3.928 10.745 1.00 0.00 C ATOM 822 C GLU A 56 3.322 -3.548 11.124 1.00 0.00 C ATOM 823 O GLU A 56 3.815 -2.528 10.623 1.00 0.00 O ATOM 824 CB GLU A 56 1.868 -5.181 9.867 1.00 0.00 C ATOM 825 CG GLU A 56 0.899 -6.224 10.425 1.00 0.00 C ATOM 826 CD GLU A 56 1.393 -7.642 10.133 1.00 0.00 C ATOM 827 OE1 GLU A 56 1.286 -8.114 8.991 1.00 0.00 O ATOM 828 OE2 GLU A 56 1.906 -8.260 11.144 1.00 0.00 O ATOM 0 H GLU A 56 1.532 -2.676 9.109 1.00 0.00 H new ATOM 0 HA GLU A 56 1.330 -4.165 11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.575 -4.913 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.870 -5.605 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.791 -6.087 11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.088 -6.081 9.985 1.00 0.00 H new ATOM 835 N SER A 57 3.952 -4.363 11.990 1.00 0.00 N ATOM 836 CA SER A 57 5.313 -4.115 12.430 1.00 0.00 C ATOM 837 C SER A 57 6.259 -5.089 11.726 1.00 0.00 C ATOM 838 O SER A 57 5.895 -6.267 11.584 1.00 0.00 O ATOM 839 CB SER A 57 5.446 -4.252 13.949 1.00 0.00 C ATOM 840 OG SER A 57 6.806 -4.236 14.371 1.00 0.00 O ATOM 0 H SER A 57 3.528 -5.198 12.393 1.00 0.00 H new ATOM 0 HA SER A 57 5.578 -3.091 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.907 -3.439 14.435 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.978 -5.182 14.271 1.00 0.00 H new ATOM 0 HG SER A 57 6.847 -4.324 15.346 1.00 0.00 H new ATOM 846 N GLY A 58 7.435 -4.590 11.304 1.00 0.00 N ATOM 847 CA GLY A 58 8.420 -5.411 10.622 1.00 0.00 C ATOM 848 C GLY A 58 9.737 -5.372 11.400 1.00 0.00 C ATOM 849 O GLY A 58 9.790 -5.940 12.499 1.00 0.00 O ATOM 0 H GLY A 58 7.716 -3.617 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.062 -6.437 10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.573 -5.047 9.606 1.00 0.00 H new ATOM 853 N ALA A 59 10.758 -4.713 10.822 1.00 0.00 N ATOM 854 CA ALA A 59 12.060 -4.602 11.457 1.00 0.00 C ATOM 855 C ALA A 59 12.505 -3.139 11.446 1.00 0.00 C ATOM 856 O ALA A 59 12.538 -2.524 12.523 1.00 0.00 O ATOM 857 CB ALA A 59 13.099 -5.372 10.639 1.00 0.00 C ATOM 0 H ALA A 59 10.694 -4.252 9.914 1.00 0.00 H new ATOM 0 HA ALA A 59 11.983 -4.993 12.472 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.075 -5.287 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.813 -6.422 10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.151 -4.956 9.633 1.00 0.00 H new ATOM 863 N LYS A 60 12.835 -2.619 10.251 1.00 0.00 N ATOM 864 CA LYS A 60 13.274 -1.241 10.104 1.00 0.00 C ATOM 865 C LYS A 60 12.373 -0.332 10.942 1.00 0.00 C ATOM 866 O LYS A 60 12.900 0.579 11.596 1.00 0.00 O ATOM 867 CB LYS A 60 13.335 -0.853 8.626 1.00 0.00 C ATOM 868 CG LYS A 60 14.766 -0.507 8.209 1.00 0.00 C ATOM 869 CD LYS A 60 15.622 -1.770 8.084 1.00 0.00 C ATOM 870 CE LYS A 60 17.084 -1.416 7.810 1.00 0.00 C ATOM 871 NZ LYS A 60 17.527 -0.328 8.697 1.00 0.00 N ATOM 0 H LYS A 60 12.802 -3.143 9.377 1.00 0.00 H new ATOM 0 HA LYS A 60 14.289 -1.122 10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.963 -1.675 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.683 0.001 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.753 0.023 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.210 0.166 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.551 -2.354 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.238 -2.395 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.711 -2.294 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.202 -1.115 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.566 -0.324 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.196 0.583 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.132 -0.473 9.648 1.00 0.00 H new ATOM 885 N GLY A 61 11.053 -0.592 10.906 1.00 0.00 N ATOM 886 CA GLY A 61 10.092 0.197 11.656 1.00 0.00 C ATOM 887 C GLY A 61 8.674 -0.208 11.245 1.00 0.00 C ATOM 888 O GLY A 61 8.147 -1.169 11.823 1.00 0.00 O ATOM 0 H GLY A 61 10.639 -1.348 10.360 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.232 0.041 12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.249 1.259 11.466 1.00 0.00 H new ATOM 892 N PRO A 62 8.099 0.521 10.272 1.00 0.00 N ATOM 893 CA PRO A 62 6.760 0.268 9.768 1.00 0.00 C ATOM 894 C PRO A 62 6.740 -0.966 8.864 1.00 0.00 C ATOM 895 O PRO A 62 7.821 -1.481 8.543 1.00 0.00 O ATOM 896 CB PRO A 62 6.366 1.543 9.041 1.00 0.00 C ATOM 897 CG PRO A 62 7.666 2.284 8.766 1.00 0.00 C ATOM 898 CD PRO A 62 8.753 1.648 9.615 1.00 0.00 C ATOM 0 HA PRO A 62 6.047 0.041 10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.841 1.317 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.693 2.147 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.923 2.224 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.561 3.341 9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.591 1.317 9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.151 2.355 10.344 1.00 0.00 H new ATOM 906 N ALA A 63 5.529 -1.408 8.477 1.00 0.00 N ATOM 907 CA ALA A 63 5.374 -2.572 7.618 1.00 0.00 C ATOM 908 C ALA A 63 3.884 -2.875 7.445 1.00 0.00 C ATOM 909 O ALA A 63 3.355 -3.688 8.218 1.00 0.00 O ATOM 910 CB ALA A 63 5.986 -3.798 8.296 1.00 0.00 C ATOM 0 H ALA A 63 4.650 -0.969 8.751 1.00 0.00 H new ATOM 0 HA ALA A 63 5.858 -2.365 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.868 -4.668 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.046 -3.622 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.481 -3.979 9.245 1.00 0.00 H new ATOM 916 N ALA A 64 3.249 -2.229 6.452 1.00 0.00 N ATOM 917 CA ALA A 64 1.835 -2.430 6.183 1.00 0.00 C ATOM 918 C ALA A 64 1.546 -3.930 6.093 1.00 0.00 C ATOM 919 O ALA A 64 2.279 -4.630 5.381 1.00 0.00 O ATOM 920 CB ALA A 64 1.482 -1.842 4.815 1.00 0.00 C ATOM 0 H ALA A 64 3.704 -1.564 5.827 1.00 0.00 H new ATOM 0 HA ALA A 64 1.261 -1.955 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.421 -1.994 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.703 -0.775 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.071 -2.338 4.043 1.00 0.00 H new ATOM 926 N GLY A 65 0.498 -4.384 6.803 1.00 0.00 N ATOM 927 CA GLY A 65 0.118 -5.787 6.804 1.00 0.00 C ATOM 928 C GLY A 65 -1.233 -5.944 6.100 1.00 0.00 C ATOM 929 O GLY A 65 -2.015 -4.982 6.102 1.00 0.00 O ATOM 0 H GLY A 65 -0.095 -3.789 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.877 -6.382 6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.054 -6.158 7.827 1.00 0.00 H new ATOM 933 N ASN A 66 -1.475 -7.134 5.522 1.00 0.00 N ATOM 934 CA ASN A 66 -2.719 -7.412 4.824 1.00 0.00 C ATOM 935 C ASN A 66 -3.019 -6.269 3.852 1.00 0.00 C ATOM 936 O ASN A 66 -4.041 -5.593 4.035 1.00 0.00 O ATOM 937 CB ASN A 66 -3.889 -7.519 5.804 1.00 0.00 C ATOM 938 CG ASN A 66 -3.912 -8.889 6.483 1.00 0.00 C ATOM 939 OD1 ASN A 66 -3.652 -9.916 5.877 1.00 0.00 O ATOM 940 ND2 ASN A 66 -4.236 -8.849 7.773 1.00 0.00 N ATOM 0 H ASN A 66 -0.817 -7.913 5.531 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.605 -8.358 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.809 -6.737 6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.828 -7.356 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.278 -9.712 8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.442 -7.955 8.220 1.00 0.00 H new ATOM 947 N VAL A 67 -2.136 -6.079 2.855 1.00 0.00 N ATOM 948 CA VAL A 67 -2.307 -5.028 1.866 1.00 0.00 C ATOM 949 C VAL A 67 -3.183 -5.546 0.724 1.00 0.00 C ATOM 950 O VAL A 67 -2.678 -6.311 -0.110 1.00 0.00 O ATOM 951 CB VAL A 67 -0.939 -4.531 1.391 1.00 0.00 C ATOM 952 CG1 VAL A 67 -0.180 -3.846 2.528 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.117 -5.675 0.794 1.00 0.00 C ATOM 0 H VAL A 67 -1.299 -6.647 2.723 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.817 -4.170 2.304 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.105 -3.793 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.788 -3.502 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.756 -2.993 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.031 -4.553 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.850 -5.295 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.035 -6.447 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.649 -6.100 -0.057 1.00 0.00 H new ATOM 963 N THR A 68 -4.461 -5.124 0.708 1.00 0.00 N ATOM 964 CA THR A 68 -5.397 -5.542 -0.322 1.00 0.00 C ATOM 965 C THR A 68 -5.373 -4.528 -1.467 1.00 0.00 C ATOM 966 O THR A 68 -5.570 -3.333 -1.201 1.00 0.00 O ATOM 967 CB THR A 68 -6.780 -5.711 0.313 1.00 0.00 C ATOM 968 OG1 THR A 68 -7.685 -5.416 -0.746 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.074 -4.642 1.366 1.00 0.00 C ATOM 0 H THR A 68 -4.858 -4.493 1.404 1.00 0.00 H new ATOM 0 HA THR A 68 -5.118 -6.504 -0.751 1.00 0.00 H new ATOM 0 HB THR A 68 -6.853 -6.698 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.606 -5.503 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.067 -4.807 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.330 -4.700 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.035 -3.656 0.904 1.00 0.00 H new ATOM 977 N SER A 69 -5.139 -5.015 -2.699 1.00 0.00 N ATOM 978 CA SER A 69 -5.092 -4.156 -3.870 1.00 0.00 C ATOM 979 C SER A 69 -6.508 -3.971 -4.419 1.00 0.00 C ATOM 980 O SER A 69 -7.181 -4.982 -4.667 1.00 0.00 O ATOM 981 CB SER A 69 -4.175 -4.733 -4.951 1.00 0.00 C ATOM 982 OG SER A 69 -4.251 -6.155 -5.010 1.00 0.00 O ATOM 0 H SER A 69 -4.981 -6.003 -2.898 1.00 0.00 H new ATOM 0 HA SER A 69 -4.683 -3.190 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.448 -4.315 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.146 -4.433 -4.752 1.00 0.00 H new ATOM 0 HG SER A 69 -3.653 -6.486 -5.713 1.00 0.00 H new ATOM 988 N LEU A 70 -6.926 -2.704 -4.592 1.00 0.00 N ATOM 989 CA LEU A 70 -8.249 -2.393 -5.106 1.00 0.00 C ATOM 990 C LEU A 70 -8.191 -2.302 -6.632 1.00 0.00 C ATOM 991 O LEU A 70 -8.370 -3.303 -7.323 1.00 0.00 O ATOM 992 CB LEU A 70 -8.801 -1.133 -4.436 1.00 0.00 C ATOM 993 CG LEU A 70 -9.137 -1.257 -2.948 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.613 -1.605 -2.748 1.00 0.00 C ATOM 995 CD2 LEU A 70 -8.211 -2.260 -2.259 1.00 0.00 C ATOM 0 H LEU A 70 -6.356 -1.885 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.950 -3.191 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.072 -0.332 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.702 -0.828 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.968 -0.289 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.826 -1.687 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.234 -0.821 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.832 -2.554 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.471 -2.329 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.323 -3.239 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.177 -1.928 -2.357 1.00 0.00 H new TER 1007 LEU A 70