USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 157:sc= -0.102 (180deg=-0.657) USER MOD Single : A 6 THR OG1 : rot 85:sc= 0.498 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -6.42! C(o=-6.4!,f=-17!) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.0324 (180deg=-1.31!) USER MOD Single : A 22 THR OG1 : rot 82:sc= 0.0997 USER MOD Single : A 27 SER OG : rot 180:sc= 0.203 USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= -0.538 (180deg=-1.78!) USER MOD Single : A 33 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-4.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.72! C(o=-3.7!,f=-0.8!) USER MOD Single : A 39 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0977) USER MOD Single : A 44 SER OG : rot -51:sc= -0.368! USER MOD Single : A 49 GLN : amide:sc= -8.27! K(o=-8.3!,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.159 (180deg=-0.954) USER MOD Single : A 52 SER OG : rot 180:sc= -0.515 USER MOD Single : A 54 THR OG1 : rot 116:sc= 0.499 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.41 (180deg=-1.08) USER MOD Single : A 66 ASN : amide:sc= -0.043 K(o=-0.043,f=-0.71) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -75:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -8.254 -0.922 13.031 1.00 0.00 N ATOM 13 CA GLY A 3 -8.907 -1.789 12.067 1.00 0.00 C ATOM 14 C GLY A 3 -8.192 -1.675 10.719 1.00 0.00 C ATOM 15 O GLY A 3 -7.007 -2.032 10.648 1.00 0.00 O ATOM 0 HA2 GLY A 3 -8.886 -2.821 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.955 -1.509 11.961 1.00 0.00 H new ATOM 19 N LYS A 4 -8.913 -1.186 9.694 1.00 0.00 N ATOM 20 CA LYS A 4 -8.350 -1.029 8.363 1.00 0.00 C ATOM 21 C LYS A 4 -7.906 0.422 8.170 1.00 0.00 C ATOM 22 O LYS A 4 -8.110 1.228 9.090 1.00 0.00 O ATOM 23 CB LYS A 4 -9.340 -1.516 7.302 1.00 0.00 C ATOM 24 CG LYS A 4 -8.982 -2.924 6.823 1.00 0.00 C ATOM 25 CD LYS A 4 -10.206 -3.842 6.852 1.00 0.00 C ATOM 26 CE LYS A 4 -10.073 -4.900 7.948 1.00 0.00 C ATOM 27 NZ LYS A 4 -11.285 -5.734 8.009 1.00 0.00 N ATOM 0 H LYS A 4 -9.887 -0.895 9.774 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.463 -1.652 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.349 -1.514 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.339 -0.829 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.583 -2.877 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.197 -3.339 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.105 -3.250 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.322 -4.329 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.203 -5.527 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.908 -4.416 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.178 -6.447 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.109 -5.134 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.425 -6.210 7.095 1.00 0.00 H new ATOM 41 N MET A 5 -7.318 0.722 6.998 1.00 0.00 N ATOM 42 CA MET A 5 -6.852 2.064 6.691 1.00 0.00 C ATOM 43 C MET A 5 -6.575 2.172 5.191 1.00 0.00 C ATOM 44 O MET A 5 -6.184 1.160 4.589 1.00 0.00 O ATOM 45 CB MET A 5 -5.573 2.373 7.472 1.00 0.00 C ATOM 46 CG MET A 5 -4.775 1.098 7.743 1.00 0.00 C ATOM 47 SD MET A 5 -3.287 1.490 8.711 1.00 0.00 S ATOM 48 CE MET A 5 -4.053 1.961 10.290 1.00 0.00 C ATOM 0 H MET A 5 -7.159 0.043 6.253 1.00 0.00 H new ATOM 0 HA MET A 5 -7.620 2.782 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.960 3.077 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.827 2.855 8.416 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.392 0.381 8.284 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.493 0.629 6.801 1.00 0.00 H new ATOM 0 HE1 MET A 5 -3.330 1.838 11.096 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.371 3.003 10.244 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.918 1.326 10.478 1.00 0.00 H new ATOM 58 N THR A 6 -6.778 3.374 4.625 1.00 0.00 N ATOM 59 CA THR A 6 -6.551 3.608 3.210 1.00 0.00 C ATOM 60 C THR A 6 -5.073 3.934 2.982 1.00 0.00 C ATOM 61 O THR A 6 -4.462 4.553 3.866 1.00 0.00 O ATOM 62 CB THR A 6 -7.496 4.717 2.739 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.998 5.891 3.374 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.910 4.558 3.306 1.00 0.00 C ATOM 0 H THR A 6 -7.100 4.194 5.138 1.00 0.00 H new ATOM 0 HA THR A 6 -6.771 2.720 2.617 1.00 0.00 H new ATOM 0 HB THR A 6 -7.538 4.721 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.275 6.273 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.541 5.369 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.325 3.603 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.871 4.589 4.395 1.00 0.00 H new ATOM 72 N GLY A 7 -4.537 3.517 1.820 1.00 0.00 N ATOM 73 CA GLY A 7 -3.145 3.763 1.484 1.00 0.00 C ATOM 74 C GLY A 7 -2.885 3.309 0.045 1.00 0.00 C ATOM 75 O GLY A 7 -3.244 2.169 -0.287 1.00 0.00 O ATOM 0 H GLY A 7 -5.057 3.009 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.915 4.823 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.492 3.225 2.171 1.00 0.00 H new ATOM 79 N ILE A 8 -2.276 4.193 -0.765 1.00 0.00 N ATOM 80 CA ILE A 8 -1.974 3.884 -2.151 1.00 0.00 C ATOM 81 C ILE A 8 -0.516 3.435 -2.264 1.00 0.00 C ATOM 82 O ILE A 8 0.336 4.024 -1.582 1.00 0.00 O ATOM 83 CB ILE A 8 -2.323 5.069 -3.054 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.076 5.893 -3.384 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.427 5.926 -2.431 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.452 7.325 -3.773 1.00 0.00 C ATOM 0 H ILE A 8 -1.987 5.126 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.591 3.056 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.710 4.679 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.408 5.910 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.530 5.422 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.656 6.761 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.322 5.320 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.091 6.308 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.548 7.889 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.100 7.306 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.976 7.801 -2.945 1.00 0.00 H new ATOM 98 N VAL A 9 -0.260 2.418 -3.107 1.00 0.00 N ATOM 99 CA VAL A 9 1.082 1.898 -3.301 1.00 0.00 C ATOM 100 C VAL A 9 1.856 2.835 -4.232 1.00 0.00 C ATOM 101 O VAL A 9 1.215 3.540 -5.025 1.00 0.00 O ATOM 102 CB VAL A 9 1.016 0.460 -3.820 1.00 0.00 C ATOM 103 CG1 VAL A 9 -0.030 0.325 -4.929 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.389 -0.013 -4.302 1.00 0.00 C ATOM 0 H VAL A 9 -0.976 1.947 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 9 1.620 1.863 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 9 0.712 -0.181 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.057 -0.706 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.010 0.602 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.231 0.984 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.314 -1.038 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.734 0.634 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.099 0.028 -3.476 1.00 0.00 H new ATOM 114 N LYS A 10 3.196 2.822 -4.118 1.00 0.00 N ATOM 115 CA LYS A 10 4.046 3.665 -4.944 1.00 0.00 C ATOM 116 C LYS A 10 4.829 2.788 -5.923 1.00 0.00 C ATOM 117 O LYS A 10 4.623 2.929 -7.137 1.00 0.00 O ATOM 118 CB LYS A 10 4.932 4.551 -4.068 1.00 0.00 C ATOM 119 CG LYS A 10 4.454 6.005 -4.100 1.00 0.00 C ATOM 120 CD LYS A 10 4.883 6.696 -5.395 1.00 0.00 C ATOM 121 CE LYS A 10 3.864 7.759 -5.812 1.00 0.00 C ATOM 122 NZ LYS A 10 2.970 7.235 -6.857 1.00 0.00 N ATOM 0 H LYS A 10 3.704 2.233 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 10 3.442 4.348 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.920 4.183 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.964 4.496 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.368 6.036 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.861 6.544 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.861 7.158 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.988 5.956 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.279 8.069 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.383 8.644 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.285 7.969 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.531 6.961 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.461 6.404 -6.494 1.00 0.00 H new ATOM 136 N TRP A 11 5.699 1.914 -5.384 1.00 0.00 N ATOM 137 CA TRP A 11 6.505 1.025 -6.205 1.00 0.00 C ATOM 138 C TRP A 11 6.657 -0.321 -5.494 1.00 0.00 C ATOM 139 O TRP A 11 6.345 -0.392 -4.295 1.00 0.00 O ATOM 140 CB TRP A 11 7.847 1.680 -6.537 1.00 0.00 C ATOM 141 CG TRP A 11 7.947 3.145 -6.108 1.00 0.00 C ATOM 142 CD1 TRP A 11 8.206 3.632 -4.886 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.779 4.303 -6.953 1.00 0.00 C ATOM 144 NE1 TRP A 11 8.217 5.011 -4.883 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.949 5.433 -6.178 1.00 0.00 C ATOM 146 CE3 TRP A 11 7.493 4.392 -8.327 1.00 0.00 C ATOM 147 CZ2 TRP A 11 7.852 6.732 -6.689 1.00 0.00 C ATOM 148 CZ3 TRP A 11 7.399 5.700 -8.820 1.00 0.00 C ATOM 149 CH2 TRP A 11 7.567 6.846 -8.055 1.00 0.00 C ATOM 0 H TRP A 11 5.854 1.813 -4.381 1.00 0.00 H new ATOM 0 HA TRP A 11 6.010 0.838 -7.158 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.645 1.115 -6.054 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.016 1.614 -7.612 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.384 3.021 -4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.390 5.611 -4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.357 3.522 -8.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.990 7.601 -6.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.180 5.826 -9.870 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.478 7.821 -8.511 1.00 0.00 H new ATOM 160 N PHE A 12 7.124 -1.344 -6.232 1.00 0.00 N ATOM 161 CA PHE A 12 7.314 -2.672 -5.674 1.00 0.00 C ATOM 162 C PHE A 12 8.313 -3.444 -6.538 1.00 0.00 C ATOM 163 O PHE A 12 8.462 -3.099 -7.720 1.00 0.00 O ATOM 164 CB PHE A 12 5.957 -3.400 -5.624 1.00 0.00 C ATOM 165 CG PHE A 12 5.888 -4.674 -6.455 1.00 0.00 C ATOM 166 CD1 PHE A 12 6.143 -4.635 -7.846 1.00 0.00 C ATOM 167 CD2 PHE A 12 5.562 -5.905 -5.838 1.00 0.00 C ATOM 168 CE1 PHE A 12 6.075 -5.818 -8.612 1.00 0.00 C ATOM 169 CE2 PHE A 12 5.494 -7.087 -6.606 1.00 0.00 C ATOM 170 CZ PHE A 12 5.750 -7.044 -7.993 1.00 0.00 C ATOM 0 H PHE A 12 7.374 -1.264 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 12 7.710 -2.602 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.730 -3.646 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.180 -2.716 -5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.390 -3.698 -8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.365 -5.940 -4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.272 -5.785 -9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.246 -8.025 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.697 -7.949 -8.581 1.00 0.00 H new ATOM 180 N ASN A 13 8.966 -4.457 -5.942 1.00 0.00 N ATOM 181 CA ASN A 13 9.940 -5.269 -6.653 1.00 0.00 C ATOM 182 C ASN A 13 9.636 -6.749 -6.414 1.00 0.00 C ATOM 183 O ASN A 13 9.434 -7.130 -5.251 1.00 0.00 O ATOM 184 CB ASN A 13 11.358 -4.991 -6.153 1.00 0.00 C ATOM 185 CG ASN A 13 11.407 -4.971 -4.623 1.00 0.00 C ATOM 186 OD1 ASN A 13 11.454 -5.995 -3.964 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.391 -3.749 -4.098 1.00 0.00 N ATOM 0 H ASN A 13 8.829 -4.725 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 13 9.876 -5.021 -7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.037 -5.755 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.704 -4.034 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.419 -3.629 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.351 -2.932 -4.708 1.00 0.00 H new ATOM 194 N ALA A 14 9.609 -7.542 -7.500 1.00 0.00 N ATOM 195 CA ALA A 14 9.333 -8.966 -7.408 1.00 0.00 C ATOM 196 C ALA A 14 10.633 -9.748 -7.614 1.00 0.00 C ATOM 197 O ALA A 14 10.589 -10.985 -7.568 1.00 0.00 O ATOM 198 CB ALA A 14 8.396 -9.383 -8.544 1.00 0.00 C ATOM 0 H ALA A 14 9.777 -7.209 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 14 8.890 -9.170 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.191 -10.451 -8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.461 -8.828 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.868 -9.167 -9.503 1.00 0.00 H new ATOM 204 N ASP A 15 11.743 -9.022 -7.834 1.00 0.00 N ATOM 205 CA ASP A 15 13.038 -9.643 -8.044 1.00 0.00 C ATOM 206 C ASP A 15 13.633 -10.046 -6.693 1.00 0.00 C ATOM 207 O ASP A 15 13.971 -11.227 -6.525 1.00 0.00 O ATOM 208 CB ASP A 15 14.012 -8.674 -8.717 1.00 0.00 C ATOM 209 CG ASP A 15 13.826 -7.203 -8.337 1.00 0.00 C ATOM 210 OD1 ASP A 15 13.993 -6.819 -7.169 1.00 0.00 O ATOM 211 OD2 ASP A 15 13.491 -6.426 -9.311 1.00 0.00 O ATOM 0 H ASP A 15 11.756 -8.003 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 15 12.893 -10.513 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.030 -8.973 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.909 -8.771 -9.798 1.00 0.00 H new ATOM 216 N LYS A 16 13.745 -9.074 -5.770 1.00 0.00 N ATOM 217 CA LYS A 16 14.292 -9.325 -4.448 1.00 0.00 C ATOM 218 C LYS A 16 13.203 -9.928 -3.557 1.00 0.00 C ATOM 219 O LYS A 16 13.534 -10.775 -2.713 1.00 0.00 O ATOM 220 CB LYS A 16 14.920 -8.054 -3.877 1.00 0.00 C ATOM 221 CG LYS A 16 13.861 -6.975 -3.644 1.00 0.00 C ATOM 222 CD LYS A 16 14.419 -5.831 -2.795 1.00 0.00 C ATOM 223 CE LYS A 16 15.094 -4.775 -3.673 1.00 0.00 C ATOM 224 NZ LYS A 16 16.461 -5.193 -4.023 1.00 0.00 N ATOM 0 H LYS A 16 13.459 -8.108 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 16 15.100 -10.054 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.423 -8.283 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.680 -7.680 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.516 -6.586 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.995 -7.412 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.613 -5.372 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.137 -6.224 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.511 -4.621 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.123 -3.821 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.096 -4.371 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.787 -5.915 -3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.467 -5.589 -4.985 1.00 0.00 H new ATOM 238 N GLY A 17 11.949 -9.487 -3.756 1.00 0.00 N ATOM 239 CA GLY A 17 10.826 -9.979 -2.977 1.00 0.00 C ATOM 240 C GLY A 17 10.468 -8.949 -1.902 1.00 0.00 C ATOM 241 O GLY A 17 10.525 -9.294 -0.714 1.00 0.00 O ATOM 0 H GLY A 17 11.699 -8.788 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.969 -10.158 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.080 -10.933 -2.514 1.00 0.00 H new ATOM 245 N PHE A 18 10.109 -7.728 -2.335 1.00 0.00 N ATOM 246 CA PHE A 18 9.745 -6.662 -1.416 1.00 0.00 C ATOM 247 C PHE A 18 8.896 -5.625 -2.155 1.00 0.00 C ATOM 248 O PHE A 18 9.044 -5.508 -3.381 1.00 0.00 O ATOM 249 CB PHE A 18 11.027 -6.018 -0.853 1.00 0.00 C ATOM 250 CG PHE A 18 11.741 -6.847 0.207 1.00 0.00 C ATOM 251 CD1 PHE A 18 12.713 -7.800 -0.175 1.00 0.00 C ATOM 252 CD2 PHE A 18 11.442 -6.664 1.578 1.00 0.00 C ATOM 253 CE1 PHE A 18 13.380 -8.565 0.805 1.00 0.00 C ATOM 254 CE2 PHE A 18 12.109 -7.432 2.556 1.00 0.00 C ATOM 255 CZ PHE A 18 13.077 -8.382 2.170 1.00 0.00 C ATOM 0 H PHE A 18 10.066 -7.465 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 18 9.162 -7.063 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.717 -5.833 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.773 -5.048 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.946 -7.943 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.702 -5.936 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.123 -9.291 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.878 -7.292 3.602 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.586 -8.969 2.920 1.00 0.00 H new ATOM 265 N GLY A 19 8.039 -4.906 -1.409 1.00 0.00 N ATOM 266 CA GLY A 19 7.178 -3.890 -1.989 1.00 0.00 C ATOM 267 C GLY A 19 7.302 -2.598 -1.181 1.00 0.00 C ATOM 268 O GLY A 19 7.928 -2.631 -0.109 1.00 0.00 O ATOM 0 H GLY A 19 7.933 -5.019 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.457 -3.711 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.143 -4.233 -1.991 1.00 0.00 H new ATOM 272 N PHE A 20 6.716 -1.504 -1.698 1.00 0.00 N ATOM 273 CA PHE A 20 6.763 -0.216 -1.028 1.00 0.00 C ATOM 274 C PHE A 20 5.430 0.507 -1.230 1.00 0.00 C ATOM 275 O PHE A 20 5.114 0.854 -2.378 1.00 0.00 O ATOM 276 CB PHE A 20 7.927 0.615 -1.604 1.00 0.00 C ATOM 277 CG PHE A 20 7.985 2.053 -1.109 1.00 0.00 C ATOM 278 CD1 PHE A 20 7.090 3.018 -1.627 1.00 0.00 C ATOM 279 CD2 PHE A 20 8.929 2.434 -0.126 1.00 0.00 C ATOM 280 CE1 PHE A 20 7.139 4.351 -1.169 1.00 0.00 C ATOM 281 CE2 PHE A 20 8.977 3.767 0.332 1.00 0.00 C ATOM 282 CZ PHE A 20 8.083 4.726 -0.189 1.00 0.00 C ATOM 0 H PHE A 20 6.206 -1.498 -2.581 1.00 0.00 H new ATOM 0 HA PHE A 20 6.927 -0.354 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.866 0.121 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.848 0.622 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.366 2.733 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.615 1.702 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.454 5.085 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.699 4.054 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.121 5.747 0.162 1.00 0.00 H new ATOM 292 N ILE A 21 4.686 0.716 -0.129 1.00 0.00 N ATOM 293 CA ILE A 21 3.400 1.391 -0.185 1.00 0.00 C ATOM 294 C ILE A 21 3.534 2.786 0.429 1.00 0.00 C ATOM 295 O ILE A 21 4.571 3.060 1.049 1.00 0.00 O ATOM 296 CB ILE A 21 2.315 0.533 0.471 1.00 0.00 C ATOM 297 CG1 ILE A 21 1.732 -0.469 -0.527 1.00 0.00 C ATOM 298 CG2 ILE A 21 1.231 1.408 1.103 1.00 0.00 C ATOM 299 CD1 ILE A 21 1.214 -1.718 0.189 1.00 0.00 C ATOM 0 H ILE A 21 4.964 0.422 0.807 1.00 0.00 H new ATOM 0 HA ILE A 21 3.086 1.526 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 21 2.774 -0.042 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.920 -0.002 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.495 -0.751 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.473 0.773 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.678 2.048 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.769 2.027 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.805 -2.414 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.034 -2.196 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.434 -1.435 0.896 1.00 0.00 H new ATOM 311 N THR A 22 2.499 3.626 0.247 1.00 0.00 N ATOM 312 CA THR A 22 2.501 4.978 0.779 1.00 0.00 C ATOM 313 C THR A 22 1.112 5.309 1.325 1.00 0.00 C ATOM 314 O THR A 22 0.187 5.480 0.518 1.00 0.00 O ATOM 315 CB THR A 22 2.966 5.935 -0.321 1.00 0.00 C ATOM 316 OG1 THR A 22 4.368 6.068 -0.097 1.00 0.00 O ATOM 317 CG2 THR A 22 2.423 7.352 -0.132 1.00 0.00 C ATOM 0 H THR A 22 1.653 3.380 -0.268 1.00 0.00 H new ATOM 0 HA THR A 22 3.196 5.080 1.613 1.00 0.00 H new ATOM 0 HB THR A 22 2.651 5.552 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.837 5.305 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.783 7.990 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.333 7.329 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.765 7.748 0.824 1.00 0.00 H new ATOM 325 N PRO A 23 0.994 5.393 2.662 1.00 0.00 N ATOM 326 CA PRO A 23 -0.254 5.699 3.340 1.00 0.00 C ATOM 327 C PRO A 23 -0.599 7.184 3.211 1.00 0.00 C ATOM 328 O PRO A 23 0.300 7.970 2.876 1.00 0.00 O ATOM 329 CB PRO A 23 -0.038 5.262 4.779 1.00 0.00 C ATOM 330 CG PRO A 23 1.468 5.159 4.962 1.00 0.00 C ATOM 331 CD PRO A 23 2.107 5.186 3.583 1.00 0.00 C ATOM 0 HA PRO A 23 -1.107 5.179 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.468 5.983 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.521 4.305 4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.836 5.985 5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.727 4.238 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.841 5.987 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.629 4.253 3.370 1.00 0.00 H new ATOM 339 N ASP A 24 -1.870 7.532 3.477 1.00 0.00 N ATOM 340 CA ASP A 24 -2.324 8.910 3.392 1.00 0.00 C ATOM 341 C ASP A 24 -2.531 9.463 4.803 1.00 0.00 C ATOM 342 O ASP A 24 -1.967 10.524 5.110 1.00 0.00 O ATOM 343 CB ASP A 24 -3.657 9.005 2.647 1.00 0.00 C ATOM 344 CG ASP A 24 -4.728 8.014 3.108 1.00 0.00 C ATOM 345 OD1 ASP A 24 -4.573 6.806 2.681 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.661 8.377 3.839 1.00 0.00 O ATOM 0 H ASP A 24 -2.594 6.868 3.752 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.568 9.481 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.047 10.017 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.474 8.850 1.584 1.00 0.00 H new ATOM 351 N ASP A 25 -3.322 8.746 5.621 1.00 0.00 N ATOM 352 CA ASP A 25 -3.598 9.162 6.986 1.00 0.00 C ATOM 353 C ASP A 25 -2.790 8.294 7.952 1.00 0.00 C ATOM 354 O ASP A 25 -2.740 8.629 9.145 1.00 0.00 O ATOM 355 CB ASP A 25 -5.081 8.991 7.324 1.00 0.00 C ATOM 356 CG ASP A 25 -5.470 9.404 8.745 1.00 0.00 C ATOM 357 OD1 ASP A 25 -5.256 10.554 9.158 1.00 0.00 O ATOM 358 OD2 ASP A 25 -6.024 8.477 9.450 1.00 0.00 O ATOM 0 H ASP A 25 -3.777 7.875 5.349 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.325 10.213 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.669 9.576 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.354 7.946 7.178 1.00 0.00 H new ATOM 363 N GLY A 26 -2.182 7.214 7.428 1.00 0.00 N ATOM 364 CA GLY A 26 -1.384 6.310 8.240 1.00 0.00 C ATOM 365 C GLY A 26 -0.127 7.037 8.719 1.00 0.00 C ATOM 366 O GLY A 26 -0.257 8.140 9.268 1.00 0.00 O ATOM 0 H GLY A 26 -2.235 6.956 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.964 5.962 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.110 5.428 7.661 1.00 0.00 H new ATOM 370 N SER A 27 1.045 6.415 8.505 1.00 0.00 N ATOM 371 CA SER A 27 2.313 6.999 8.913 1.00 0.00 C ATOM 372 C SER A 27 3.168 7.267 7.673 1.00 0.00 C ATOM 373 O SER A 27 2.836 8.192 6.917 1.00 0.00 O ATOM 374 CB SER A 27 3.061 6.087 9.888 1.00 0.00 C ATOM 375 OG SER A 27 3.168 4.754 9.397 1.00 0.00 O ATOM 0 H SER A 27 1.130 5.506 8.050 1.00 0.00 H new ATOM 0 HA SER A 27 2.112 7.937 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.058 6.488 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.543 6.080 10.847 1.00 0.00 H new ATOM 0 HG SER A 27 3.653 4.204 10.047 1.00 0.00 H new ATOM 381 N LYS A 28 4.235 6.468 7.493 1.00 0.00 N ATOM 382 CA LYS A 28 5.127 6.619 6.356 1.00 0.00 C ATOM 383 C LYS A 28 4.932 5.439 5.400 1.00 0.00 C ATOM 384 O LYS A 28 4.083 4.583 5.684 1.00 0.00 O ATOM 385 CB LYS A 28 6.571 6.796 6.826 1.00 0.00 C ATOM 386 CG LYS A 28 6.831 6.001 8.108 1.00 0.00 C ATOM 387 CD LYS A 28 6.642 6.881 9.346 1.00 0.00 C ATOM 388 CE LYS A 28 6.570 6.030 10.615 1.00 0.00 C ATOM 389 NZ LYS A 28 5.887 6.766 11.692 1.00 0.00 N ATOM 0 H LYS A 28 4.491 5.713 8.129 1.00 0.00 H new ATOM 0 HA LYS A 28 4.884 7.525 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.255 6.466 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.773 7.853 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.153 5.149 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.845 5.601 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.468 7.588 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.729 7.467 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.038 5.101 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.576 5.757 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.531 6.874 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.605 7.705 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.042 6.239 11.991 1.00 0.00 H new ATOM 403 N ASP A 29 5.711 5.417 4.303 1.00 0.00 N ATOM 404 CA ASP A 29 5.625 4.352 3.318 1.00 0.00 C ATOM 405 C ASP A 29 5.901 3.011 3.999 1.00 0.00 C ATOM 406 O ASP A 29 6.977 2.865 4.599 1.00 0.00 O ATOM 407 CB ASP A 29 6.661 4.544 2.208 1.00 0.00 C ATOM 408 CG ASP A 29 8.015 5.083 2.676 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.713 4.263 3.386 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.385 6.228 2.374 1.00 0.00 O ATOM 0 H ASP A 29 6.405 6.132 4.087 1.00 0.00 H new ATOM 0 HA ASP A 29 4.625 4.372 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.820 3.588 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.252 5.227 1.464 1.00 0.00 H new ATOM 415 N VAL A 30 4.943 2.074 3.894 1.00 0.00 N ATOM 416 CA VAL A 30 5.083 0.758 4.495 1.00 0.00 C ATOM 417 C VAL A 30 5.445 -0.257 3.409 1.00 0.00 C ATOM 418 O VAL A 30 4.748 -0.301 2.386 1.00 0.00 O ATOM 419 CB VAL A 30 3.806 0.391 5.255 1.00 0.00 C ATOM 420 CG1 VAL A 30 3.839 0.947 6.681 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.563 0.877 4.506 1.00 0.00 C ATOM 0 H VAL A 30 4.065 2.215 3.395 1.00 0.00 H new ATOM 0 HA VAL A 30 5.892 0.755 5.226 1.00 0.00 H new ATOM 0 HB VAL A 30 3.754 -0.696 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.921 0.673 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.695 0.532 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.925 2.033 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.670 0.603 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.605 1.961 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.528 0.414 3.520 1.00 0.00 H new ATOM 431 N PHE A 31 6.511 -1.041 3.650 1.00 0.00 N ATOM 432 CA PHE A 31 6.958 -2.046 2.701 1.00 0.00 C ATOM 433 C PHE A 31 5.990 -3.231 2.724 1.00 0.00 C ATOM 434 O PHE A 31 5.288 -3.399 3.732 1.00 0.00 O ATOM 435 CB PHE A 31 8.383 -2.497 3.072 1.00 0.00 C ATOM 436 CG PHE A 31 9.365 -1.360 3.319 1.00 0.00 C ATOM 437 CD1 PHE A 31 9.280 -0.166 2.565 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.375 -1.495 4.299 1.00 0.00 C ATOM 439 CE1 PHE A 31 10.194 0.885 2.793 1.00 0.00 C ATOM 440 CE2 PHE A 31 11.289 -0.444 4.527 1.00 0.00 C ATOM 441 CZ PHE A 31 11.198 0.746 3.775 1.00 0.00 C ATOM 0 H PHE A 31 7.073 -0.989 4.500 1.00 0.00 H new ATOM 0 HA PHE A 31 6.975 -1.630 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.332 -3.116 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.771 -3.126 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.513 -0.058 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.447 -2.406 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.125 1.795 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.058 -0.551 5.277 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.897 1.551 3.951 1.00 0.00 H new ATOM 451 N VAL A 32 5.972 -4.016 1.631 1.00 0.00 N ATOM 452 CA VAL A 32 5.099 -5.171 1.528 1.00 0.00 C ATOM 453 C VAL A 32 5.947 -6.431 1.340 1.00 0.00 C ATOM 454 O VAL A 32 7.111 -6.303 0.933 1.00 0.00 O ATOM 455 CB VAL A 32 4.084 -4.963 0.401 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.130 -3.523 -0.115 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.312 -5.961 -0.733 1.00 0.00 C ATOM 0 H VAL A 32 6.559 -3.860 0.811 1.00 0.00 H new ATOM 0 HA VAL A 32 4.525 -5.297 2.446 1.00 0.00 H new ATOM 0 HB VAL A 32 3.088 -5.142 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.400 -3.400 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.895 -2.837 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.127 -3.305 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.578 -5.791 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.315 -5.829 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.206 -6.976 -0.351 1.00 0.00 H new ATOM 467 N HIS A 33 5.357 -7.603 1.637 1.00 0.00 N ATOM 468 CA HIS A 33 6.055 -8.872 1.502 1.00 0.00 C ATOM 469 C HIS A 33 5.105 -9.909 0.903 1.00 0.00 C ATOM 470 O HIS A 33 5.099 -11.052 1.385 1.00 0.00 O ATOM 471 CB HIS A 33 6.649 -9.315 2.842 1.00 0.00 C ATOM 472 CG HIS A 33 8.147 -9.497 2.818 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.827 -9.971 1.710 1.00 0.00 N ATOM 474 CD2 HIS A 33 9.089 -9.264 3.777 1.00 0.00 C ATOM 475 CE1 HIS A 33 10.121 -10.018 2.000 1.00 0.00 C ATOM 476 NE2 HIS A 33 10.279 -9.579 3.282 1.00 0.00 N ATOM 0 H HIS A 33 4.397 -7.686 1.972 1.00 0.00 H new ATOM 0 HA HIS A 33 6.899 -8.759 0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.395 -8.577 3.602 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.184 -10.254 3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.898 -8.887 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.909 -10.346 1.338 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.167 -9.505 3.779 1.00 0.00 H new ATOM 484 N PHE A 34 4.333 -9.500 -0.119 1.00 0.00 N ATOM 485 CA PHE A 34 3.390 -10.389 -0.776 1.00 0.00 C ATOM 486 C PHE A 34 2.593 -11.152 0.284 1.00 0.00 C ATOM 487 O PHE A 34 2.623 -10.742 1.454 1.00 0.00 O ATOM 488 CB PHE A 34 4.160 -11.363 -1.687 1.00 0.00 C ATOM 489 CG PHE A 34 5.284 -10.725 -2.493 1.00 0.00 C ATOM 490 CD1 PHE A 34 5.256 -9.338 -2.773 1.00 0.00 C ATOM 491 CD2 PHE A 34 6.363 -11.511 -2.961 1.00 0.00 C ATOM 492 CE1 PHE A 34 6.298 -8.743 -3.515 1.00 0.00 C ATOM 493 CE2 PHE A 34 7.404 -10.914 -3.704 1.00 0.00 C ATOM 494 CZ PHE A 34 7.372 -9.531 -3.982 1.00 0.00 C ATOM 0 H PHE A 34 4.352 -8.554 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 34 2.695 -9.814 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.579 -12.160 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.456 -11.829 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.435 -8.733 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.390 -12.570 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.274 -7.684 -3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.226 -11.517 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.169 -9.076 -4.552 1.00 0.00 H new ATOM 504 N SER A 35 1.907 -12.230 -0.138 1.00 0.00 N ATOM 505 CA SER A 35 1.110 -13.040 0.768 1.00 0.00 C ATOM 506 C SER A 35 -0.142 -12.261 1.175 1.00 0.00 C ATOM 507 O SER A 35 -1.152 -12.900 1.503 1.00 0.00 O ATOM 508 CB SER A 35 1.911 -13.443 2.009 1.00 0.00 C ATOM 509 OG SER A 35 1.415 -14.642 2.598 1.00 0.00 O ATOM 0 H SER A 35 1.896 -12.551 -1.106 1.00 0.00 H new ATOM 0 HA SER A 35 0.822 -13.956 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.958 -13.579 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.874 -12.637 2.742 1.00 0.00 H new ATOM 0 HG SER A 35 1.953 -14.866 3.386 1.00 0.00 H new ATOM 515 N ALA A 36 -0.054 -10.920 1.145 1.00 0.00 N ATOM 516 CA ALA A 36 -1.173 -10.067 1.508 1.00 0.00 C ATOM 517 C ALA A 36 -1.255 -8.896 0.525 1.00 0.00 C ATOM 518 O ALA A 36 -1.288 -7.744 0.983 1.00 0.00 O ATOM 519 CB ALA A 36 -0.928 -9.454 2.887 1.00 0.00 C ATOM 0 H ALA A 36 0.788 -10.413 0.871 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.083 -10.667 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.769 -8.815 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.826 -10.249 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.014 -8.860 2.864 1.00 0.00 H new ATOM 525 N ILE A 37 -1.285 -9.208 -0.783 1.00 0.00 N ATOM 526 CA ILE A 37 -1.362 -8.189 -1.816 1.00 0.00 C ATOM 527 C ILE A 37 -2.430 -8.584 -2.836 1.00 0.00 C ATOM 528 O ILE A 37 -2.085 -8.759 -4.013 1.00 0.00 O ATOM 529 CB ILE A 37 0.018 -7.945 -2.431 1.00 0.00 C ATOM 530 CG1 ILE A 37 -0.048 -6.863 -3.511 1.00 0.00 C ATOM 531 CG2 ILE A 37 0.620 -9.248 -2.960 1.00 0.00 C ATOM 532 CD1 ILE A 37 1.343 -6.297 -3.805 1.00 0.00 C ATOM 0 H ILE A 37 -1.256 -10.164 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.668 -7.234 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 37 0.682 -7.579 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.475 -7.280 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.710 -6.060 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.600 -9.047 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.723 -9.960 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.034 -9.667 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.268 -5.530 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.757 -5.859 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.996 -7.098 -4.152 1.00 0.00 H new ATOM 544 N GLN A 38 -3.686 -8.715 -2.374 1.00 0.00 N ATOM 545 CA GLN A 38 -4.792 -9.086 -3.241 1.00 0.00 C ATOM 546 C GLN A 38 -4.595 -8.441 -4.615 1.00 0.00 C ATOM 547 O GLN A 38 -4.901 -7.247 -4.754 1.00 0.00 O ATOM 548 CB GLN A 38 -6.139 -8.687 -2.637 1.00 0.00 C ATOM 549 CG GLN A 38 -6.154 -8.925 -1.125 1.00 0.00 C ATOM 550 CD GLN A 38 -5.401 -10.208 -0.764 1.00 0.00 C ATOM 551 OE1 GLN A 38 -5.828 -11.312 -1.061 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.262 -10.001 -0.111 1.00 0.00 N ATOM 0 H GLN A 38 -3.950 -8.566 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.802 -10.171 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.338 -7.636 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.937 -9.262 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.698 -8.076 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.184 -8.992 -0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.964 -9.050 0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.686 -10.793 0.174 1.00 0.00 H new ATOM 561 N ASN A 39 -4.097 -9.228 -5.585 1.00 0.00 N ATOM 562 CA ASN A 39 -3.863 -8.738 -6.931 1.00 0.00 C ATOM 563 C ASN A 39 -4.875 -9.376 -7.885 1.00 0.00 C ATOM 564 O ASN A 39 -6.001 -9.656 -7.450 1.00 0.00 O ATOM 565 CB ASN A 39 -2.459 -9.105 -7.416 1.00 0.00 C ATOM 566 CG ASN A 39 -2.272 -10.623 -7.452 1.00 0.00 C ATOM 567 OD1 ASN A 39 -2.393 -11.313 -6.453 1.00 0.00 O ATOM 568 ND2 ASN A 39 -1.970 -11.102 -8.655 1.00 0.00 N ATOM 0 H ASN A 39 -3.852 -10.209 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.967 -7.653 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.294 -8.691 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.714 -8.659 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.824 -12.103 -8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.884 -10.468 -9.449 1.00 0.00 H new ATOM 575 N ASP A 40 -4.461 -9.590 -9.147 1.00 0.00 N ATOM 576 CA ASP A 40 -5.325 -10.190 -10.150 1.00 0.00 C ATOM 577 C ASP A 40 -4.810 -11.591 -10.487 1.00 0.00 C ATOM 578 O ASP A 40 -5.544 -12.562 -10.247 1.00 0.00 O ATOM 579 CB ASP A 40 -5.329 -9.365 -11.438 1.00 0.00 C ATOM 580 CG ASP A 40 -3.978 -8.754 -11.819 1.00 0.00 C ATOM 581 OD1 ASP A 40 -2.935 -9.110 -11.253 1.00 0.00 O ATOM 582 OD2 ASP A 40 -4.026 -7.864 -12.752 1.00 0.00 O ATOM 0 H ASP A 40 -3.529 -9.352 -9.486 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.336 -10.230 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.668 -9.999 -12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.058 -8.561 -11.335 1.00 0.00 H new ATOM 587 N GLY A 41 -3.582 -11.667 -11.028 1.00 0.00 N ATOM 588 CA GLY A 41 -2.979 -12.937 -11.394 1.00 0.00 C ATOM 589 C GLY A 41 -1.474 -12.746 -11.591 1.00 0.00 C ATOM 590 O GLY A 41 -0.703 -13.205 -10.734 1.00 0.00 O ATOM 0 H GLY A 41 -2.995 -10.855 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.164 -13.678 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.432 -13.317 -12.310 1.00 0.00 H new ATOM 594 N TYR A 42 -1.091 -12.081 -12.696 1.00 0.00 N ATOM 595 CA TYR A 42 0.326 -11.869 -12.942 1.00 0.00 C ATOM 596 C TYR A 42 0.880 -10.895 -11.901 1.00 0.00 C ATOM 597 O TYR A 42 0.383 -9.760 -11.842 1.00 0.00 O ATOM 598 CB TYR A 42 0.542 -11.356 -14.378 1.00 0.00 C ATOM 599 CG TYR A 42 1.876 -11.756 -14.996 1.00 0.00 C ATOM 600 CD1 TYR A 42 2.375 -13.068 -14.834 1.00 0.00 C ATOM 601 CD2 TYR A 42 2.624 -10.809 -15.733 1.00 0.00 C ATOM 602 CE1 TYR A 42 3.613 -13.432 -15.406 1.00 0.00 C ATOM 603 CE2 TYR A 42 3.861 -11.173 -16.306 1.00 0.00 C ATOM 604 CZ TYR A 42 4.357 -12.484 -16.144 1.00 0.00 C ATOM 605 OH TYR A 42 5.555 -12.833 -16.700 1.00 0.00 O ATOM 0 H TYR A 42 -1.722 -11.699 -13.401 1.00 0.00 H new ATOM 0 HA TYR A 42 0.866 -12.811 -12.848 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.264 -11.730 -15.009 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.467 -10.269 -14.377 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.808 -13.794 -14.271 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.248 -9.804 -15.858 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.992 -14.435 -15.280 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.429 -10.447 -16.869 1.00 0.00 H new ATOM 0 HH TYR A 42 5.933 -12.063 -17.173 1.00 0.00 H new ATOM 615 N LYS A 43 1.871 -11.345 -11.110 1.00 0.00 N ATOM 616 CA LYS A 43 2.469 -10.516 -10.077 1.00 0.00 C ATOM 617 C LYS A 43 2.865 -9.167 -10.681 1.00 0.00 C ATOM 618 O LYS A 43 3.941 -9.087 -11.292 1.00 0.00 O ATOM 619 CB LYS A 43 3.628 -11.253 -9.405 1.00 0.00 C ATOM 620 CG LYS A 43 3.273 -12.717 -9.147 1.00 0.00 C ATOM 621 CD LYS A 43 1.908 -12.838 -8.463 1.00 0.00 C ATOM 622 CE LYS A 43 1.460 -14.298 -8.388 1.00 0.00 C ATOM 623 NZ LYS A 43 2.377 -15.076 -7.539 1.00 0.00 N ATOM 0 H LYS A 43 2.267 -12.282 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 43 1.749 -10.313 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.514 -11.196 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.876 -10.764 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.261 -13.264 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.039 -13.176 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.962 -12.419 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.169 -12.255 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.448 -14.354 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.430 -14.727 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.979 -16.022 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.298 -15.166 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.503 -14.590 -6.628 1.00 0.00 H new ATOM 637 N SER A 44 2.004 -8.150 -10.500 1.00 0.00 N ATOM 638 CA SER A 44 2.263 -6.818 -11.022 1.00 0.00 C ATOM 639 C SER A 44 1.247 -5.838 -10.431 1.00 0.00 C ATOM 640 O SER A 44 0.069 -5.910 -10.809 1.00 0.00 O ATOM 641 CB SER A 44 2.198 -6.794 -12.550 1.00 0.00 C ATOM 642 OG SER A 44 2.454 -8.076 -13.115 1.00 0.00 O ATOM 0 H SER A 44 1.123 -8.237 -9.993 1.00 0.00 H new ATOM 0 HA SER A 44 3.271 -6.522 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.213 -6.449 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.925 -6.077 -12.933 1.00 0.00 H new ATOM 0 HG SER A 44 3.280 -8.442 -12.735 1.00 0.00 H new ATOM 648 N LEU A 45 1.717 -4.956 -9.530 1.00 0.00 N ATOM 649 CA LEU A 45 0.855 -3.971 -8.897 1.00 0.00 C ATOM 650 C LEU A 45 1.629 -2.664 -8.717 1.00 0.00 C ATOM 651 O LEU A 45 2.378 -2.291 -9.632 1.00 0.00 O ATOM 652 CB LEU A 45 0.275 -4.527 -7.594 1.00 0.00 C ATOM 653 CG LEU A 45 -0.967 -3.813 -7.055 1.00 0.00 C ATOM 654 CD1 LEU A 45 -2.220 -4.241 -7.821 1.00 0.00 C ATOM 655 CD2 LEU A 45 -1.112 -4.032 -5.549 1.00 0.00 C ATOM 0 H LEU A 45 2.691 -4.914 -9.231 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.002 -3.749 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.028 -5.577 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.051 -4.491 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.844 -2.742 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.088 -3.719 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.104 -3.993 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.362 -5.317 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.002 -3.515 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.205 -5.098 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.233 -3.639 -5.038 1.00 0.00 H new ATOM 667 N ASP A 46 1.436 -2.004 -7.561 1.00 0.00 N ATOM 668 CA ASP A 46 2.111 -0.751 -7.268 1.00 0.00 C ATOM 669 C ASP A 46 2.108 0.130 -8.518 1.00 0.00 C ATOM 670 O ASP A 46 1.222 -0.052 -9.366 1.00 0.00 O ATOM 671 CB ASP A 46 3.566 -0.991 -6.860 1.00 0.00 C ATOM 672 CG ASP A 46 4.467 -1.536 -7.973 1.00 0.00 C ATOM 673 OD1 ASP A 46 4.327 -2.794 -8.221 1.00 0.00 O ATOM 674 OD2 ASP A 46 5.260 -0.793 -8.571 1.00 0.00 O ATOM 0 H ASP A 46 0.814 -2.328 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 46 1.582 -0.267 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.986 -0.052 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.583 -1.690 -6.024 1.00 0.00 H new ATOM 679 N GLU A 47 3.084 1.052 -8.607 1.00 0.00 N ATOM 680 CA GLU A 47 3.194 1.950 -9.744 1.00 0.00 C ATOM 681 C GLU A 47 2.048 2.964 -9.699 1.00 0.00 C ATOM 682 O GLU A 47 1.677 3.483 -10.762 1.00 0.00 O ATOM 683 CB GLU A 47 3.194 1.182 -11.069 1.00 0.00 C ATOM 684 CG GLU A 47 3.540 2.108 -12.237 1.00 0.00 C ATOM 685 CD GLU A 47 4.194 1.327 -13.378 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.424 1.167 -13.396 1.00 0.00 O ATOM 687 OE2 GLU A 47 3.377 0.878 -14.270 1.00 0.00 O ATOM 0 H GLU A 47 3.804 1.186 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 47 4.146 2.478 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.915 0.366 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.215 0.733 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.636 2.598 -12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.214 2.894 -11.896 1.00 0.00 H new ATOM 694 N GLY A 48 1.520 3.222 -8.488 1.00 0.00 N ATOM 695 CA GLY A 48 0.429 4.166 -8.310 1.00 0.00 C ATOM 696 C GLY A 48 -0.900 3.408 -8.317 1.00 0.00 C ATOM 697 O GLY A 48 -1.442 3.180 -9.409 1.00 0.00 O ATOM 0 H GLY A 48 1.840 2.783 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.549 4.705 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.442 4.909 -9.107 1.00 0.00 H new ATOM 701 N GLN A 49 -1.390 3.040 -7.120 1.00 0.00 N ATOM 702 CA GLN A 49 -2.643 2.315 -6.990 1.00 0.00 C ATOM 703 C GLN A 49 -3.189 2.500 -5.573 1.00 0.00 C ATOM 704 O GLN A 49 -2.386 2.515 -4.629 1.00 0.00 O ATOM 705 CB GLN A 49 -2.472 0.832 -7.322 1.00 0.00 C ATOM 706 CG GLN A 49 -1.990 0.644 -8.761 1.00 0.00 C ATOM 707 CD GLN A 49 -2.016 -0.833 -9.162 1.00 0.00 C ATOM 708 OE1 GLN A 49 -1.303 -1.275 -10.047 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.875 -1.567 -8.461 1.00 0.00 N ATOM 0 H GLN A 49 -0.927 3.239 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.357 2.720 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.757 0.382 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.420 0.313 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.622 1.219 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.977 1.034 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.442 -1.132 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.967 -2.565 -8.651 1.00 0.00 H new ATOM 718 N LYS A 50 -4.522 2.637 -5.455 1.00 0.00 N ATOM 719 CA LYS A 50 -5.166 2.819 -4.165 1.00 0.00 C ATOM 720 C LYS A 50 -5.506 1.450 -3.572 1.00 0.00 C ATOM 721 O LYS A 50 -6.304 0.724 -4.184 1.00 0.00 O ATOM 722 CB LYS A 50 -6.373 3.750 -4.295 1.00 0.00 C ATOM 723 CG LYS A 50 -6.511 4.646 -3.063 1.00 0.00 C ATOM 724 CD LYS A 50 -7.981 4.823 -2.677 1.00 0.00 C ATOM 725 CE LYS A 50 -8.537 6.137 -3.229 1.00 0.00 C ATOM 726 NZ LYS A 50 -7.801 7.284 -2.672 1.00 0.00 N ATOM 0 H LYS A 50 -5.166 2.623 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.488 3.310 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.266 4.367 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.280 3.159 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.962 4.210 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.064 5.620 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.565 3.987 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.080 4.809 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.461 6.142 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.595 6.223 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.424 8.117 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.485 7.058 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.974 7.488 -3.268 1.00 0.00 H new ATOM 740 N VAL A 51 -4.907 1.131 -2.411 1.00 0.00 N ATOM 741 CA VAL A 51 -5.145 -0.138 -1.744 1.00 0.00 C ATOM 742 C VAL A 51 -5.517 0.121 -0.284 1.00 0.00 C ATOM 743 O VAL A 51 -5.490 1.288 0.135 1.00 0.00 O ATOM 744 CB VAL A 51 -3.924 -1.048 -1.899 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.180 -0.750 -3.202 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.990 -0.921 -0.693 1.00 0.00 C ATOM 0 H VAL A 51 -4.254 1.744 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.983 -0.661 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.277 -2.078 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.317 -1.410 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.848 -0.914 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.845 0.287 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.130 -1.578 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.648 0.110 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.525 -1.205 0.213 1.00 0.00 H new ATOM 756 N SER A 52 -5.851 -0.955 0.453 1.00 0.00 N ATOM 757 CA SER A 52 -6.223 -0.844 1.852 1.00 0.00 C ATOM 758 C SER A 52 -5.466 -1.898 2.663 1.00 0.00 C ATOM 759 O SER A 52 -5.277 -3.011 2.152 1.00 0.00 O ATOM 760 CB SER A 52 -7.733 -1.012 2.045 1.00 0.00 C ATOM 761 OG SER A 52 -8.099 -2.375 2.231 1.00 0.00 O ATOM 0 H SER A 52 -5.867 -1.908 0.090 1.00 0.00 H new ATOM 0 HA SER A 52 -5.955 0.153 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.055 -0.429 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.256 -0.611 1.177 1.00 0.00 H new ATOM 0 HG SER A 52 -9.069 -2.440 2.352 1.00 0.00 H new ATOM 767 N PHE A 53 -5.053 -1.531 3.890 1.00 0.00 N ATOM 768 CA PHE A 53 -4.322 -2.440 4.758 1.00 0.00 C ATOM 769 C PHE A 53 -4.563 -2.045 6.217 1.00 0.00 C ATOM 770 O PHE A 53 -5.558 -1.356 6.485 1.00 0.00 O ATOM 771 CB PHE A 53 -2.822 -2.374 4.415 1.00 0.00 C ATOM 772 CG PHE A 53 -2.299 -0.974 4.117 1.00 0.00 C ATOM 773 CD1 PHE A 53 -1.894 -0.124 5.173 1.00 0.00 C ATOM 774 CD2 PHE A 53 -2.222 -0.515 2.782 1.00 0.00 C ATOM 775 CE1 PHE A 53 -1.413 1.174 4.894 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.741 0.782 2.504 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.336 1.626 3.561 1.00 0.00 C ATOM 0 H PHE A 53 -5.219 -0.609 4.293 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.669 -3.463 4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.254 -2.790 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.632 -3.010 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.953 -0.469 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.532 -1.159 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.104 1.821 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.683 1.129 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.967 2.618 3.348 1.00 0.00 H new ATOM 787 N THR A 54 -3.664 -2.482 7.115 1.00 0.00 N ATOM 788 CA THR A 54 -3.777 -2.178 8.532 1.00 0.00 C ATOM 789 C THR A 54 -2.381 -2.156 9.157 1.00 0.00 C ATOM 790 O THR A 54 -2.268 -2.463 10.354 1.00 0.00 O ATOM 791 CB THR A 54 -4.719 -3.197 9.176 1.00 0.00 C ATOM 792 OG1 THR A 54 -4.590 -2.952 10.574 1.00 0.00 O ATOM 793 CG2 THR A 54 -4.227 -4.637 9.005 1.00 0.00 C ATOM 0 H THR A 54 -2.851 -3.049 6.873 1.00 0.00 H new ATOM 0 HA THR A 54 -4.207 -1.190 8.699 1.00 0.00 H new ATOM 0 HB THR A 54 -5.714 -3.098 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.448 -2.642 10.932 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.931 -5.321 9.480 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.152 -4.872 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.247 -4.744 9.470 1.00 0.00 H new ATOM 801 N ILE A 55 -1.365 -1.801 8.352 1.00 0.00 N ATOM 802 CA ILE A 55 0.007 -1.741 8.826 1.00 0.00 C ATOM 803 C ILE A 55 0.250 -2.880 9.817 1.00 0.00 C ATOM 804 O ILE A 55 0.100 -2.651 11.027 1.00 0.00 O ATOM 805 CB ILE A 55 0.318 -0.355 9.393 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.228 0.717 8.304 1.00 0.00 C ATOM 807 CG2 ILE A 55 1.677 -0.342 10.097 1.00 0.00 C ATOM 808 CD1 ILE A 55 1.093 1.929 8.655 1.00 0.00 C ATOM 0 H ILE A 55 -1.480 -1.553 7.369 1.00 0.00 H new ATOM 0 HA ILE A 55 0.702 -1.884 7.999 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.436 -0.117 10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.551 0.300 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.809 1.029 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.873 0.655 10.491 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.669 -1.061 10.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.458 -0.611 9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.011 2.676 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.752 2.359 9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.133 1.618 8.753 1.00 0.00 H new ATOM 820 N GLU A 56 0.615 -4.066 9.296 1.00 0.00 N ATOM 821 CA GLU A 56 0.876 -5.227 10.130 1.00 0.00 C ATOM 822 C GLU A 56 2.302 -5.145 10.679 1.00 0.00 C ATOM 823 O GLU A 56 3.009 -4.185 10.341 1.00 0.00 O ATOM 824 CB GLU A 56 0.658 -6.531 9.362 1.00 0.00 C ATOM 825 CG GLU A 56 -0.583 -7.266 9.870 1.00 0.00 C ATOM 826 CD GLU A 56 -0.796 -8.575 9.107 1.00 0.00 C ATOM 827 OE1 GLU A 56 -0.088 -8.843 8.125 1.00 0.00 O ATOM 828 OE2 GLU A 56 -1.738 -9.328 9.567 1.00 0.00 O ATOM 0 H GLU A 56 0.733 -4.234 8.297 1.00 0.00 H new ATOM 0 HA GLU A 56 0.170 -5.227 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.548 -6.317 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.534 -7.171 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.476 -7.475 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.460 -6.628 9.757 1.00 0.00 H new ATOM 835 N SER A 57 2.688 -6.137 11.502 1.00 0.00 N ATOM 836 CA SER A 57 4.017 -6.177 12.089 1.00 0.00 C ATOM 837 C SER A 57 4.430 -7.632 12.305 1.00 0.00 C ATOM 838 O SER A 57 3.694 -8.362 12.985 1.00 0.00 O ATOM 839 CB SER A 57 4.066 -5.409 13.413 1.00 0.00 C ATOM 840 OG SER A 57 5.296 -5.613 14.103 1.00 0.00 O ATOM 0 H SER A 57 2.089 -6.918 11.769 1.00 0.00 H new ATOM 0 HA SER A 57 4.714 -5.695 11.403 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.931 -4.345 13.220 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.238 -5.726 14.047 1.00 0.00 H new ATOM 0 HG SER A 57 5.289 -5.106 14.941 1.00 0.00 H new ATOM 846 N GLY A 58 5.582 -8.022 11.730 1.00 0.00 N ATOM 847 CA GLY A 58 6.088 -9.379 11.859 1.00 0.00 C ATOM 848 C GLY A 58 7.014 -9.687 10.681 1.00 0.00 C ATOM 849 O GLY A 58 6.771 -10.682 9.984 1.00 0.00 O ATOM 0 H GLY A 58 6.174 -7.406 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.628 -9.490 12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.260 -10.088 11.881 1.00 0.00 H new ATOM 853 N ALA A 59 8.043 -8.842 10.489 1.00 0.00 N ATOM 854 CA ALA A 59 8.996 -9.024 9.406 1.00 0.00 C ATOM 855 C ALA A 59 10.234 -8.166 9.672 1.00 0.00 C ATOM 856 O ALA A 59 10.431 -7.758 10.827 1.00 0.00 O ATOM 857 CB ALA A 59 8.392 -8.511 8.097 1.00 0.00 C ATOM 0 H ALA A 59 8.226 -8.029 11.077 1.00 0.00 H new ATOM 0 HA ALA A 59 9.246 -10.083 9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.108 -8.649 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.481 -9.067 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.155 -7.452 8.196 1.00 0.00 H new ATOM 863 N LYS A 60 11.029 -7.913 8.618 1.00 0.00 N ATOM 864 CA LYS A 60 12.236 -7.111 8.738 1.00 0.00 C ATOM 865 C LYS A 60 11.913 -5.823 9.498 1.00 0.00 C ATOM 866 O LYS A 60 12.759 -5.378 10.288 1.00 0.00 O ATOM 867 CB LYS A 60 12.859 -6.873 7.361 1.00 0.00 C ATOM 868 CG LYS A 60 14.305 -7.372 7.320 1.00 0.00 C ATOM 869 CD LYS A 60 15.269 -6.303 7.841 1.00 0.00 C ATOM 870 CE LYS A 60 15.148 -5.013 7.030 1.00 0.00 C ATOM 871 NZ LYS A 60 14.949 -5.316 5.603 1.00 0.00 N ATOM 0 H LYS A 60 10.848 -8.258 7.675 1.00 0.00 H new ATOM 0 HA LYS A 60 12.991 -7.642 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.272 -7.385 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.831 -5.809 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.399 -8.276 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.572 -7.641 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.057 -6.098 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.292 -6.675 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.312 -4.420 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.048 -4.411 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.219 -4.490 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.539 -6.130 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.948 -5.543 5.432 1.00 0.00 H new ATOM 885 N GLY A 61 10.717 -5.261 9.250 1.00 0.00 N ATOM 886 CA GLY A 61 10.290 -4.037 9.908 1.00 0.00 C ATOM 887 C GLY A 61 8.769 -3.907 9.795 1.00 0.00 C ATOM 888 O GLY A 61 8.093 -4.941 9.713 1.00 0.00 O ATOM 0 H GLY A 61 10.035 -5.644 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.589 -4.051 10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.775 -3.175 9.449 1.00 0.00 H new ATOM 892 N PRO A 62 8.271 -2.657 9.795 1.00 0.00 N ATOM 893 CA PRO A 62 6.852 -2.360 9.695 1.00 0.00 C ATOM 894 C PRO A 62 6.348 -2.568 8.266 1.00 0.00 C ATOM 895 O PRO A 62 6.715 -1.772 7.389 1.00 0.00 O ATOM 896 CB PRO A 62 6.718 -0.923 10.169 1.00 0.00 C ATOM 897 CG PRO A 62 8.110 -0.320 10.074 1.00 0.00 C ATOM 898 CD PRO A 62 9.100 -1.459 9.893 1.00 0.00 C ATOM 0 HA PRO A 62 6.238 -3.025 10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.011 -0.372 9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.344 -0.883 11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.169 0.374 9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.342 0.248 10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.704 -1.320 8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.790 -1.522 10.735 1.00 0.00 H new ATOM 906 N ALA A 63 5.529 -3.616 8.063 1.00 0.00 N ATOM 907 CA ALA A 63 4.981 -3.922 6.752 1.00 0.00 C ATOM 908 C ALA A 63 3.466 -3.715 6.777 1.00 0.00 C ATOM 909 O ALA A 63 2.900 -3.620 7.876 1.00 0.00 O ATOM 910 CB ALA A 63 5.206 -5.402 6.434 1.00 0.00 C ATOM 0 H ALA A 63 5.238 -4.260 8.799 1.00 0.00 H new ATOM 0 HA ALA A 63 5.464 -3.279 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.794 -5.630 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.275 -5.617 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.709 -6.015 7.186 1.00 0.00 H new ATOM 916 N ALA A 64 2.847 -3.649 5.584 1.00 0.00 N ATOM 917 CA ALA A 64 1.412 -3.454 5.469 1.00 0.00 C ATOM 918 C ALA A 64 0.699 -4.780 5.742 1.00 0.00 C ATOM 919 O ALA A 64 1.188 -5.820 5.278 1.00 0.00 O ATOM 920 CB ALA A 64 1.058 -3.064 4.033 1.00 0.00 C ATOM 0 H ALA A 64 3.331 -3.730 4.690 1.00 0.00 H new ATOM 0 HA ALA A 64 1.111 -2.681 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.019 -2.919 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.570 -2.138 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.370 -3.857 3.353 1.00 0.00 H new ATOM 926 N GLY A 65 -0.424 -4.719 6.481 1.00 0.00 N ATOM 927 CA GLY A 65 -1.195 -5.905 6.810 1.00 0.00 C ATOM 928 C GLY A 65 -2.518 -5.878 6.043 1.00 0.00 C ATOM 929 O GLY A 65 -3.103 -4.792 5.915 1.00 0.00 O ATOM 0 H GLY A 65 -0.809 -3.852 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.631 -6.802 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.384 -5.944 7.883 1.00 0.00 H new ATOM 933 N ASN A 66 -2.959 -7.053 5.559 1.00 0.00 N ATOM 934 CA ASN A 66 -4.200 -7.161 4.813 1.00 0.00 C ATOM 935 C ASN A 66 -4.199 -6.140 3.673 1.00 0.00 C ATOM 936 O ASN A 66 -5.181 -5.397 3.546 1.00 0.00 O ATOM 937 CB ASN A 66 -5.407 -6.868 5.708 1.00 0.00 C ATOM 938 CG ASN A 66 -5.767 -8.087 6.561 1.00 0.00 C ATOM 939 OD1 ASN A 66 -5.740 -9.220 6.111 1.00 0.00 O ATOM 940 ND2 ASN A 66 -6.101 -7.790 7.813 1.00 0.00 N ATOM 0 H ASN A 66 -2.464 -7.937 5.678 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.273 -8.178 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.187 -6.019 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.261 -6.586 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.356 -8.534 8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.102 -6.818 8.124 1.00 0.00 H new ATOM 947 N VAL A 67 -3.112 -6.126 2.880 1.00 0.00 N ATOM 948 CA VAL A 67 -2.986 -5.205 1.764 1.00 0.00 C ATOM 949 C VAL A 67 -3.787 -5.739 0.576 1.00 0.00 C ATOM 950 O VAL A 67 -3.400 -6.779 0.022 1.00 0.00 O ATOM 951 CB VAL A 67 -1.508 -4.980 1.436 1.00 0.00 C ATOM 952 CG1 VAL A 67 -1.241 -3.513 1.089 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.614 -5.442 2.589 1.00 0.00 C ATOM 0 H VAL A 67 -2.313 -6.748 3.002 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.400 -4.231 2.024 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.263 -5.582 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.184 -3.380 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.838 -3.230 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.511 -2.884 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.431 -5.271 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.862 -4.880 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.774 -6.505 2.770 1.00 0.00 H new ATOM 963 N THR A 68 -4.870 -5.030 0.211 1.00 0.00 N ATOM 964 CA THR A 68 -5.715 -5.430 -0.901 1.00 0.00 C ATOM 965 C THR A 68 -5.775 -4.294 -1.925 1.00 0.00 C ATOM 966 O THR A 68 -6.166 -3.180 -1.548 1.00 0.00 O ATOM 967 CB THR A 68 -7.088 -5.827 -0.354 1.00 0.00 C ATOM 968 OG1 THR A 68 -7.997 -5.431 -1.377 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.500 -4.988 0.858 1.00 0.00 C ATOM 0 H THR A 68 -5.172 -4.176 0.679 1.00 0.00 H new ATOM 0 HA THR A 68 -5.309 -6.298 -1.421 1.00 0.00 H new ATOM 0 HB THR A 68 -7.078 -6.882 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.912 -5.653 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.481 -5.310 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.770 -5.119 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.543 -3.936 0.575 1.00 0.00 H new ATOM 977 N SER A 69 -5.391 -4.594 -3.179 1.00 0.00 N ATOM 978 CA SER A 69 -5.401 -3.605 -4.245 1.00 0.00 C ATOM 979 C SER A 69 -6.821 -3.062 -4.417 1.00 0.00 C ATOM 980 O SER A 69 -7.774 -3.830 -4.216 1.00 0.00 O ATOM 981 CB SER A 69 -4.895 -4.196 -5.561 1.00 0.00 C ATOM 982 OG SER A 69 -5.814 -5.135 -6.114 1.00 0.00 O ATOM 0 H SER A 69 -5.071 -5.518 -3.468 1.00 0.00 H new ATOM 0 HA SER A 69 -4.728 -2.793 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.723 -3.392 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.935 -4.684 -5.394 1.00 0.00 H new ATOM 0 HG SER A 69 -5.766 -5.975 -5.611 1.00 0.00 H new ATOM 988 N LEU A 70 -6.933 -1.771 -4.780 1.00 0.00 N ATOM 989 CA LEU A 70 -8.225 -1.136 -4.977 1.00 0.00 C ATOM 990 C LEU A 70 -8.167 -0.251 -6.224 1.00 0.00 C ATOM 991 O LEU A 70 -8.809 -0.551 -7.230 1.00 0.00 O ATOM 992 CB LEU A 70 -8.652 -0.390 -3.713 1.00 0.00 C ATOM 993 CG LEU A 70 -9.935 -0.887 -3.041 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.137 -0.217 -1.680 1.00 0.00 C ATOM 995 CD2 LEU A 70 -11.143 -0.697 -3.959 1.00 0.00 C ATOM 0 H LEU A 70 -6.135 -1.156 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.997 -1.886 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.840 -0.449 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.781 0.663 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.833 -1.957 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.055 -0.588 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.292 -0.448 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.208 0.863 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.041 -1.058 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.259 0.361 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.991 -1.259 -4.881 1.00 0.00 H new