USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 128:sc= 0.1 (180deg=-0.677) USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= 0.875 F(o=-5.2!,f=0.98) USER MOD Set 2.1: A 11 SER OG : rot -145:sc= 0.326 USER MOD Set 2.2: A 27 SER OG : rot 61:sc= 0.305 USER MOD Set 3.1: A 3 THR OG1 : rot 131:sc= 0.127 USER MOD Set 3.2: A 33 LYS NZ :NH3+ -117:sc= -0.0595 (180deg=-0.986) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.0629 (180deg=-0.645) USER MOD Single : A 7 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.173 USER MOD Single : A 13 ASN : amide:sc= -0.405 K(o=-0.41,f=-5.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -20:sc= 0.765 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 50:sc= 0.72 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0906 (180deg=-0.607) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.094) USER MOD Single : A 32 THR OG1 : rot 130:sc= 1.23 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -3.82! (180deg=-3.99!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.413 10.929 -11.297 1.00 1.00 N ATOM 21 CA LYS A 2 0.268 11.109 -10.391 1.00 1.00 C ATOM 22 C LYS A 2 0.152 9.936 -9.434 1.00 1.00 C ATOM 23 O LYS A 2 -0.130 10.093 -8.247 1.00 1.00 O ATOM 24 CB LYS A 2 -1.026 11.240 -11.218 1.00 1.00 C ATOM 25 CG LYS A 2 -0.955 12.501 -12.107 1.00 1.00 C ATOM 26 CD LYS A 2 -2.251 12.647 -12.935 1.00 1.00 C ATOM 27 CE LYS A 2 -2.154 13.883 -13.842 1.00 1.00 C ATOM 28 NZ LYS A 2 -1.936 15.091 -12.998 1.00 1.00 N ATOM 0 HA LYS A 2 0.422 12.016 -9.806 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.163 10.354 -11.838 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -1.888 11.301 -10.554 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -0.811 13.385 -11.485 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -0.095 12.436 -12.773 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -2.410 11.753 -13.539 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -3.110 12.739 -12.270 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -1.334 13.766 -14.550 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -3.067 13.993 -14.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -2.202 15.942 -13.534 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -2.520 15.025 -12.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -0.933 15.151 -12.730 1.00 1.00 H new ATOM 42 N THR A 3 0.373 8.742 -9.975 1.00 1.00 N ATOM 43 CA THR A 3 0.297 7.492 -9.188 1.00 1.00 C ATOM 44 C THR A 3 1.659 6.824 -9.131 1.00 1.00 C ATOM 45 O THR A 3 2.522 7.041 -9.980 1.00 1.00 O ATOM 46 CB THR A 3 -0.721 6.527 -9.837 1.00 1.00 C ATOM 47 OG1 THR A 3 -0.246 6.117 -11.113 1.00 1.00 O ATOM 48 CG2 THR A 3 -2.081 7.231 -9.998 1.00 1.00 C ATOM 0 H THR A 3 0.608 8.602 -10.958 1.00 1.00 H new ATOM 0 HA THR A 3 -0.024 7.735 -8.175 1.00 1.00 H new ATOM 0 HB THR A 3 -0.842 5.654 -9.196 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.306 5.142 -11.187 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.794 6.545 -10.456 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.450 7.538 -9.019 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.963 8.109 -10.633 1.00 1.00 H new ATOM 56 N GLY A 4 1.845 5.998 -8.105 1.00 1.00 N ATOM 57 CA GLY A 4 3.109 5.280 -7.903 1.00 1.00 C ATOM 58 C GLY A 4 3.061 3.923 -8.585 1.00 1.00 C ATOM 59 O GLY A 4 2.001 3.306 -8.692 1.00 1.00 O ATOM 0 H GLY A 4 1.137 5.806 -7.396 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.936 5.866 -8.303 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.296 5.152 -6.837 1.00 1.00 H new ATOM 63 N ILE A 5 4.219 3.456 -9.042 1.00 1.00 N ATOM 64 CA ILE A 5 4.312 2.147 -9.729 1.00 1.00 C ATOM 65 C ILE A 5 4.928 1.121 -8.773 1.00 1.00 C ATOM 66 O ILE A 5 6.007 1.324 -8.217 1.00 1.00 O ATOM 67 CB ILE A 5 5.185 2.259 -11.014 1.00 1.00 C ATOM 68 CG1 ILE A 5 4.610 3.386 -11.930 1.00 1.00 C ATOM 69 CG2 ILE A 5 5.177 0.902 -11.783 1.00 1.00 C ATOM 70 CD1 ILE A 5 5.554 3.663 -13.115 1.00 1.00 C ATOM 0 H ILE A 5 5.107 3.951 -8.956 1.00 1.00 H new ATOM 0 HA ILE A 5 3.311 1.829 -10.021 1.00 1.00 H new ATOM 0 HB ILE A 5 6.210 2.501 -10.735 1.00 1.00 H new ATOM 0 HG12 ILE A 5 3.628 3.093 -12.302 1.00 1.00 H new ATOM 0 HG13 ILE A 5 4.471 4.298 -11.349 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.790 0.989 -12.680 1.00 1.00 H new ATOM 0 HG22 ILE A 5 5.581 0.118 -11.142 1.00 1.00 H new ATOM 0 HG23 ILE A 5 4.155 0.649 -12.065 1.00 1.00 H new ATOM 0 HD11 ILE A 5 5.133 4.451 -13.739 1.00 1.00 H new ATOM 0 HD12 ILE A 5 6.527 3.979 -12.739 1.00 1.00 H new ATOM 0 HD13 ILE A 5 5.671 2.755 -13.707 1.00 1.00 H new ATOM 82 N VAL A 6 4.226 0.003 -8.606 1.00 1.00 N ATOM 83 CA VAL A 6 4.699 -1.073 -7.727 1.00 1.00 C ATOM 84 C VAL A 6 5.527 -2.070 -8.534 1.00 1.00 C ATOM 85 O VAL A 6 5.091 -2.556 -9.577 1.00 1.00 O ATOM 86 CB VAL A 6 3.495 -1.797 -7.074 1.00 1.00 C ATOM 87 CG1 VAL A 6 3.984 -2.829 -6.025 1.00 1.00 C ATOM 88 CG2 VAL A 6 2.587 -0.757 -6.388 1.00 1.00 C ATOM 0 H VAL A 6 3.333 -0.185 -9.062 1.00 1.00 H new ATOM 0 HA VAL A 6 5.319 -0.642 -6.941 1.00 1.00 H new ATOM 0 HB VAL A 6 2.938 -2.324 -7.849 1.00 1.00 H new ATOM 0 HG11 VAL A 6 3.124 -3.328 -5.577 1.00 1.00 H new ATOM 0 HG12 VAL A 6 4.620 -3.569 -6.511 1.00 1.00 H new ATOM 0 HG13 VAL A 6 4.552 -2.317 -5.248 1.00 1.00 H new ATOM 0 HG21 VAL A 6 1.738 -1.263 -5.927 1.00 1.00 H new ATOM 0 HG22 VAL A 6 3.154 -0.228 -5.622 1.00 1.00 H new ATOM 0 HG23 VAL A 6 2.226 -0.044 -7.129 1.00 1.00 H new ATOM 98 N ASN A 7 6.719 -2.381 -8.033 1.00 1.00 N ATOM 99 CA ASN A 7 7.597 -3.340 -8.714 1.00 1.00 C ATOM 100 C ASN A 7 6.820 -4.626 -9.073 1.00 1.00 C ATOM 101 O ASN A 7 6.205 -5.256 -8.214 1.00 1.00 O ATOM 102 CB ASN A 7 8.784 -3.696 -7.804 1.00 1.00 C ATOM 103 CG ASN A 7 9.549 -2.432 -7.427 1.00 1.00 C ATOM 104 OD1 ASN A 7 10.246 -1.854 -8.262 1.00 1.00 O ATOM 105 ND2 ASN A 7 9.450 -1.962 -6.215 1.00 1.00 N ATOM 0 H ASN A 7 7.099 -1.992 -7.170 1.00 1.00 H new ATOM 0 HA ASN A 7 7.964 -2.882 -9.632 1.00 1.00 H new ATOM 0 HB2 ASN A 7 8.426 -4.196 -6.904 1.00 1.00 H new ATOM 0 HB3 ASN A 7 9.448 -4.394 -8.314 1.00 1.00 H new ATOM 0 HD21 ASN A 7 9.951 -1.112 -5.955 1.00 1.00 H new ATOM 0 HD22 ASN A 7 8.872 -2.444 -5.527 1.00 1.00 H new ATOM 112 N VAL A 8 6.861 -4.992 -10.351 1.00 1.00 N ATOM 113 CA VAL A 8 6.152 -6.193 -10.827 1.00 1.00 C ATOM 114 C VAL A 8 6.509 -7.405 -9.960 1.00 1.00 C ATOM 115 O VAL A 8 5.648 -7.988 -9.299 1.00 1.00 O ATOM 116 CB VAL A 8 6.520 -6.480 -12.310 1.00 1.00 C ATOM 117 CG1 VAL A 8 5.667 -7.651 -12.866 1.00 1.00 C ATOM 118 CG2 VAL A 8 6.287 -5.210 -13.163 1.00 1.00 C ATOM 0 H VAL A 8 7.370 -4.485 -11.075 1.00 1.00 H new ATOM 0 HA VAL A 8 5.080 -6.012 -10.754 1.00 1.00 H new ATOM 0 HB VAL A 8 7.572 -6.761 -12.360 1.00 1.00 H new ATOM 0 HG11 VAL A 8 5.938 -7.837 -13.905 1.00 1.00 H new ATOM 0 HG12 VAL A 8 5.852 -8.548 -12.276 1.00 1.00 H new ATOM 0 HG13 VAL A 8 4.610 -7.391 -12.808 1.00 1.00 H new ATOM 0 HG21 VAL A 8 6.546 -5.416 -14.201 1.00 1.00 H new ATOM 0 HG22 VAL A 8 5.239 -4.918 -13.102 1.00 1.00 H new ATOM 0 HG23 VAL A 8 6.912 -4.400 -12.787 1.00 1.00 H new ATOM 128 N SER A 9 7.787 -7.770 -9.964 1.00 1.00 N ATOM 129 CA SER A 9 8.268 -8.903 -9.176 1.00 1.00 C ATOM 130 C SER A 9 8.060 -8.630 -7.689 1.00 1.00 C ATOM 131 O SER A 9 8.011 -7.480 -7.253 1.00 1.00 O ATOM 132 CB SER A 9 9.760 -9.142 -9.458 1.00 1.00 C ATOM 133 OG SER A 9 9.932 -9.437 -10.837 1.00 1.00 O ATOM 0 H SER A 9 8.511 -7.297 -10.505 1.00 1.00 H new ATOM 0 HA SER A 9 7.705 -9.793 -9.457 1.00 1.00 H new ATOM 0 HB2 SER A 9 10.340 -8.260 -9.187 1.00 1.00 H new ATOM 0 HB3 SER A 9 10.130 -9.966 -8.848 1.00 1.00 H new ATOM 0 HG SER A 9 10.882 -9.589 -11.023 1.00 1.00 H new ATOM 139 N SER A 10 7.934 -9.704 -6.914 1.00 1.00 N ATOM 140 CA SER A 10 7.727 -9.582 -5.469 1.00 1.00 C ATOM 141 C SER A 10 6.335 -9.021 -5.182 1.00 1.00 C ATOM 142 O SER A 10 5.510 -8.867 -6.084 1.00 1.00 O ATOM 143 CB SER A 10 8.835 -8.677 -4.826 1.00 1.00 C ATOM 144 OG SER A 10 10.042 -8.849 -5.554 1.00 1.00 O ATOM 0 H SER A 10 7.971 -10.664 -7.257 1.00 1.00 H new ATOM 0 HA SER A 10 7.800 -10.573 -5.021 1.00 1.00 H new ATOM 0 HB2 SER A 10 8.527 -7.631 -4.846 1.00 1.00 H new ATOM 0 HB3 SER A 10 8.983 -8.946 -3.780 1.00 1.00 H new ATOM 0 HG SER A 10 10.743 -8.287 -5.163 1.00 1.00 H new ATOM 150 N SER A 11 6.090 -8.705 -3.915 1.00 1.00 N ATOM 151 CA SER A 11 4.792 -8.152 -3.492 1.00 1.00 C ATOM 152 C SER A 11 4.972 -7.241 -2.288 1.00 1.00 C ATOM 153 O SER A 11 5.927 -7.368 -1.521 1.00 1.00 O ATOM 154 CB SER A 11 3.822 -9.283 -3.138 1.00 1.00 C ATOM 155 OG SER A 11 2.574 -8.718 -2.759 1.00 1.00 O ATOM 0 H SER A 11 6.765 -8.819 -3.159 1.00 1.00 H new ATOM 0 HA SER A 11 4.380 -7.573 -4.319 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.691 -9.948 -3.992 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.226 -9.885 -2.324 1.00 1.00 H new ATOM 0 HG SER A 11 2.169 -9.263 -2.052 1.00 1.00 H new ATOM 161 N LEU A 12 4.047 -6.299 -2.142 1.00 1.00 N ATOM 162 CA LEU A 12 4.092 -5.329 -1.028 1.00 1.00 C ATOM 163 C LEU A 12 3.133 -5.764 0.084 1.00 1.00 C ATOM 164 O LEU A 12 1.991 -6.160 -0.155 1.00 1.00 O ATOM 165 CB LEU A 12 3.724 -3.905 -1.564 1.00 1.00 C ATOM 166 CG LEU A 12 4.981 -3.179 -2.157 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.038 -2.848 -1.032 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.615 -4.050 -3.297 1.00 1.00 C ATOM 0 H LEU A 12 3.255 -6.178 -2.773 1.00 1.00 H new ATOM 0 HA LEU A 12 5.098 -5.294 -0.610 1.00 1.00 H new ATOM 0 HB2 LEU A 12 2.955 -3.990 -2.331 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.303 -3.307 -0.756 1.00 1.00 H new ATOM 0 HG LEU A 12 4.661 -2.229 -2.585 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.897 -2.345 -1.476 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.583 -2.197 -0.285 1.00 1.00 H new ATOM 0 HD13 LEU A 12 6.365 -3.773 -0.557 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.487 -3.538 -3.703 1.00 1.00 H new ATOM 0 HD22 LEU A 12 5.917 -5.016 -2.892 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.882 -4.202 -4.089 1.00 1.00 H new ATOM 180 N ASN A 13 3.627 -5.683 1.316 1.00 1.00 N ATOM 181 CA ASN A 13 2.858 -6.061 2.497 1.00 1.00 C ATOM 182 C ASN A 13 2.108 -4.843 3.034 1.00 1.00 C ATOM 183 O ASN A 13 2.687 -3.780 3.255 1.00 1.00 O ATOM 184 CB ASN A 13 3.819 -6.611 3.569 1.00 1.00 C ATOM 185 CG ASN A 13 4.869 -5.567 3.949 1.00 1.00 C ATOM 186 OD1 ASN A 13 5.403 -4.871 3.084 1.00 1.00 O ATOM 187 ND2 ASN A 13 5.190 -5.414 5.205 1.00 1.00 N ATOM 0 H ASN A 13 4.570 -5.354 1.523 1.00 1.00 H new ATOM 0 HA ASN A 13 2.132 -6.831 2.235 1.00 1.00 H new ATOM 0 HB2 ASN A 13 3.254 -6.903 4.454 1.00 1.00 H new ATOM 0 HB3 ASN A 13 4.312 -7.509 3.195 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.885 -4.717 5.473 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.746 -5.992 5.919 1.00 1.00 H new ATOM 194 N VAL A 14 0.807 -5.018 3.254 1.00 1.00 N ATOM 195 CA VAL A 14 -0.017 -3.915 3.769 1.00 1.00 C ATOM 196 C VAL A 14 -0.057 -3.983 5.291 1.00 1.00 C ATOM 197 O VAL A 14 -0.772 -4.802 5.867 1.00 1.00 O ATOM 198 CB VAL A 14 -1.448 -4.006 3.183 1.00 1.00 C ATOM 199 CG1 VAL A 14 -2.288 -2.784 3.628 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.370 -4.039 1.638 1.00 1.00 C ATOM 0 H VAL A 14 0.305 -5.890 3.090 1.00 1.00 H new ATOM 0 HA VAL A 14 0.418 -2.962 3.468 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.923 -4.916 3.549 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -3.291 -2.860 3.209 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.350 -2.762 4.716 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.815 -1.869 3.272 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.376 -4.103 1.224 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.887 -3.130 1.279 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.792 -4.907 1.321 1.00 1.00 H new ATOM 210 N ARG A 15 0.707 -3.108 5.938 1.00 1.00 N ATOM 211 CA ARG A 15 0.750 -3.054 7.397 1.00 1.00 C ATOM 212 C ARG A 15 -0.438 -2.248 7.923 1.00 1.00 C ATOM 213 O ARG A 15 -0.947 -1.344 7.257 1.00 1.00 O ATOM 214 CB ARG A 15 2.069 -2.396 7.840 1.00 1.00 C ATOM 215 CG ARG A 15 3.266 -3.268 7.403 1.00 1.00 C ATOM 216 CD ARG A 15 4.588 -2.612 7.826 1.00 1.00 C ATOM 217 NE ARG A 15 5.715 -3.463 7.423 1.00 1.00 N ATOM 218 CZ ARG A 15 6.012 -4.605 8.063 1.00 1.00 C ATOM 219 NH1 ARG A 15 5.294 -5.001 9.085 1.00 1.00 N ATOM 220 NH2 ARG A 15 7.023 -5.324 7.665 1.00 1.00 N ATOM 0 H ARG A 15 1.306 -2.425 5.474 1.00 1.00 H new ATOM 0 HA ARG A 15 0.694 -4.065 7.801 1.00 1.00 H new ATOM 0 HB2 ARG A 15 2.154 -1.401 7.402 1.00 1.00 H new ATOM 0 HB3 ARG A 15 2.076 -2.270 8.923 1.00 1.00 H new ATOM 0 HG2 ARG A 15 3.185 -4.259 7.850 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.250 -3.404 6.322 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.680 -1.628 7.366 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.601 -2.462 8.906 1.00 1.00 H new ATOM 0 HE ARG A 15 6.291 -3.177 6.631 1.00 1.00 H new ATOM 0 HH11 ARG A 15 4.502 -4.440 9.400 1.00 1.00 H new ATOM 0 HH12 ARG A 15 5.527 -5.870 9.566 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.585 -5.018 6.870 1.00 1.00 H new ATOM 0 HH22 ARG A 15 7.253 -6.193 8.148 1.00 1.00 H new ATOM 234 N SER A 16 -0.866 -2.582 9.135 1.00 1.00 N ATOM 235 CA SER A 16 -1.992 -1.883 9.765 1.00 1.00 C ATOM 236 C SER A 16 -1.576 -0.475 10.189 1.00 1.00 C ATOM 237 O SER A 16 -2.416 0.405 10.376 1.00 1.00 O ATOM 238 CB SER A 16 -2.468 -2.676 10.987 1.00 1.00 C ATOM 239 OG SER A 16 -3.579 -2.011 11.569 1.00 1.00 O ATOM 0 H SER A 16 -0.458 -3.326 9.701 1.00 1.00 H new ATOM 0 HA SER A 16 -2.806 -1.802 9.044 1.00 1.00 H new ATOM 0 HB2 SER A 16 -2.747 -3.688 10.693 1.00 1.00 H new ATOM 0 HB3 SER A 16 -1.661 -2.767 11.714 1.00 1.00 H new ATOM 0 HG SER A 16 -3.889 -2.515 12.351 1.00 1.00 H new ATOM 245 N SER A 17 -0.271 -0.276 10.350 1.00 1.00 N ATOM 246 CA SER A 17 0.266 1.032 10.767 1.00 1.00 C ATOM 247 C SER A 17 1.771 1.112 10.491 1.00 1.00 C ATOM 248 O SER A 17 2.396 0.134 10.078 1.00 1.00 O ATOM 249 CB SER A 17 -0.002 1.242 12.268 1.00 1.00 C ATOM 250 OG SER A 17 -1.402 1.193 12.510 1.00 1.00 O ATOM 0 H SER A 17 0.437 -0.994 10.201 1.00 1.00 H new ATOM 0 HA SER A 17 -0.231 1.814 10.193 1.00 1.00 H new ATOM 0 HB2 SER A 17 0.506 0.473 12.850 1.00 1.00 H new ATOM 0 HB3 SER A 17 0.400 2.203 12.589 1.00 1.00 H new ATOM 0 HG SER A 17 -1.885 1.366 11.675 1.00 1.00 H new ATOM 256 N ALA A 18 2.341 2.287 10.732 1.00 1.00 N ATOM 257 CA ALA A 18 3.783 2.509 10.523 1.00 1.00 C ATOM 258 C ALA A 18 4.602 1.754 11.585 1.00 1.00 C ATOM 259 O ALA A 18 5.406 2.342 12.309 1.00 1.00 O ATOM 260 CB ALA A 18 4.087 4.018 10.584 1.00 1.00 C ATOM 0 H ALA A 18 1.835 3.105 11.072 1.00 1.00 H new ATOM 0 HA ALA A 18 4.063 2.128 9.541 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.154 4.181 10.429 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.525 4.534 9.806 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.798 4.408 11.560 1.00 1.00 H new ATOM 266 N SER A 19 4.386 0.445 11.656 1.00 1.00 N ATOM 267 CA SER A 19 5.097 -0.420 12.625 1.00 1.00 C ATOM 268 C SER A 19 5.467 -1.761 11.980 1.00 1.00 C ATOM 269 O SER A 19 4.635 -2.435 11.375 1.00 1.00 O ATOM 270 CB SER A 19 4.205 -0.660 13.857 1.00 1.00 C ATOM 271 OG SER A 19 3.895 0.592 14.453 1.00 1.00 O ATOM 0 H SER A 19 3.726 -0.052 11.059 1.00 1.00 H new ATOM 0 HA SER A 19 6.015 0.081 12.933 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.290 -1.175 13.565 1.00 1.00 H new ATOM 0 HB3 SER A 19 4.717 -1.302 14.574 1.00 1.00 H new ATOM 0 HG SER A 19 3.326 0.449 15.238 1.00 1.00 H new ATOM 277 N THR A 20 6.734 -2.136 12.127 1.00 1.00 N ATOM 278 CA THR A 20 7.232 -3.397 11.569 1.00 1.00 C ATOM 279 C THR A 20 6.579 -4.584 12.270 1.00 1.00 C ATOM 280 O THR A 20 6.370 -5.639 11.670 1.00 1.00 O ATOM 281 CB THR A 20 8.762 -3.468 11.726 1.00 1.00 C ATOM 282 OG1 THR A 20 9.206 -4.751 11.318 1.00 1.00 O ATOM 283 CG2 THR A 20 9.177 -3.234 13.193 1.00 1.00 C ATOM 0 H THR A 20 7.436 -1.589 12.626 1.00 1.00 H new ATOM 0 HA THR A 20 6.978 -3.437 10.510 1.00 1.00 H new ATOM 0 HB THR A 20 9.214 -2.691 11.109 1.00 1.00 H new ATOM 0 HG1 THR A 20 10.180 -4.806 11.413 1.00 1.00 H new ATOM 0 HG21 THR A 20 10.262 -3.289 13.277 1.00 1.00 H new ATOM 0 HG22 THR A 20 8.838 -2.249 13.514 1.00 1.00 H new ATOM 0 HG23 THR A 20 8.725 -3.998 13.825 1.00 1.00 H new ATOM 291 N SER A 21 6.262 -4.403 13.547 1.00 1.00 N ATOM 292 CA SER A 21 5.632 -5.462 14.347 1.00 1.00 C ATOM 293 C SER A 21 4.175 -5.627 13.947 1.00 1.00 C ATOM 294 O SER A 21 3.489 -6.527 14.434 1.00 1.00 O ATOM 295 CB SER A 21 5.720 -5.110 15.837 1.00 1.00 C ATOM 296 OG SER A 21 4.954 -3.940 16.092 1.00 1.00 O ATOM 0 H SER A 21 6.429 -3.535 14.056 1.00 1.00 H new ATOM 0 HA SER A 21 6.158 -6.399 14.165 1.00 1.00 H new ATOM 0 HB2 SER A 21 5.350 -5.939 16.440 1.00 1.00 H new ATOM 0 HB3 SER A 21 6.759 -4.947 16.123 1.00 1.00 H new ATOM 0 HG SER A 21 5.008 -3.715 17.044 1.00 1.00 H new ATOM 302 N SER A 22 3.706 -4.760 13.057 1.00 1.00 N ATOM 303 CA SER A 22 2.320 -4.822 12.583 1.00 1.00 C ATOM 304 C SER A 22 2.038 -6.178 11.936 1.00 1.00 C ATOM 305 O SER A 22 2.872 -7.083 11.973 1.00 1.00 O ATOM 306 CB SER A 22 2.056 -3.708 11.560 1.00 1.00 C ATOM 307 OG SER A 22 0.701 -3.768 11.128 1.00 1.00 O ATOM 0 H SER A 22 4.259 -4.007 12.648 1.00 1.00 H new ATOM 0 HA SER A 22 1.661 -4.689 13.441 1.00 1.00 H new ATOM 0 HB2 SER A 22 2.264 -2.735 12.005 1.00 1.00 H new ATOM 0 HB3 SER A 22 2.726 -3.818 10.707 1.00 1.00 H new ATOM 0 HG SER A 22 0.110 -3.813 11.909 1.00 1.00 H new ATOM 313 N LYS A 23 0.852 -6.310 11.353 1.00 1.00 N ATOM 314 CA LYS A 23 0.441 -7.567 10.692 1.00 1.00 C ATOM 315 C LYS A 23 -0.032 -7.287 9.275 1.00 1.00 C ATOM 316 O LYS A 23 -0.360 -6.157 8.913 1.00 1.00 O ATOM 317 CB LYS A 23 -0.692 -8.221 11.502 1.00 1.00 C ATOM 318 CG LYS A 23 -0.178 -8.589 12.914 1.00 1.00 C ATOM 319 CD LYS A 23 -1.309 -9.248 13.734 1.00 1.00 C ATOM 320 CE LYS A 23 -0.809 -9.573 15.150 1.00 1.00 C ATOM 321 NZ LYS A 23 0.363 -10.485 15.056 1.00 1.00 N ATOM 0 H LYS A 23 0.151 -5.570 11.319 1.00 1.00 H new ATOM 0 HA LYS A 23 1.295 -8.243 10.646 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -1.538 -7.538 11.579 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -1.049 -9.115 10.990 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.669 -9.270 12.835 1.00 1.00 H new ATOM 0 HG3 LYS A 23 0.179 -7.694 13.425 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -2.168 -8.579 13.787 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.645 -10.160 13.240 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -0.531 -8.656 15.670 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.604 -10.041 15.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 0.507 -10.960 15.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 0.190 -11.197 14.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 1.212 -9.935 14.814 1.00 1.00 H new ATOM 335 N VAL A 24 -0.060 -8.342 8.467 1.00 1.00 N ATOM 336 CA VAL A 24 -0.490 -8.234 7.068 1.00 1.00 C ATOM 337 C VAL A 24 -2.005 -8.450 6.975 1.00 1.00 C ATOM 338 O VAL A 24 -2.507 -9.561 7.143 1.00 1.00 O ATOM 339 CB VAL A 24 0.256 -9.280 6.196 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.036 -9.028 4.693 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.781 -9.171 6.451 1.00 1.00 C ATOM 0 H VAL A 24 0.209 -9.284 8.752 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.249 -7.238 6.697 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.091 -10.278 6.463 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.492 -9.767 4.091 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.108 -9.111 4.512 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.302 -8.029 4.419 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.306 -9.905 5.839 1.00 1.00 H new ATOM 0 HG22 VAL A 24 2.123 -8.170 6.189 1.00 1.00 H new ATOM 0 HG23 VAL A 24 1.988 -9.362 7.504 1.00 1.00 H new ATOM 351 N ILE A 25 -2.723 -7.368 6.691 1.00 1.00 N ATOM 352 CA ILE A 25 -4.186 -7.433 6.566 1.00 1.00 C ATOM 353 C ILE A 25 -4.576 -7.840 5.147 1.00 1.00 C ATOM 354 O ILE A 25 -5.712 -8.239 4.894 1.00 1.00 O ATOM 355 CB ILE A 25 -4.800 -6.053 6.936 1.00 1.00 C ATOM 356 CG1 ILE A 25 -4.230 -4.933 6.003 1.00 1.00 C ATOM 357 CG2 ILE A 25 -4.470 -5.727 8.417 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.952 -3.596 6.239 1.00 1.00 C ATOM 0 H ILE A 25 -2.326 -6.440 6.543 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.576 -8.185 7.252 1.00 1.00 H new ATOM 0 HB ILE A 25 -5.881 -6.096 6.802 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -3.163 -4.811 6.186 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.342 -5.232 4.961 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -4.899 -4.760 8.681 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.891 -6.499 9.062 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.389 -5.693 8.550 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -4.536 -2.836 5.578 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.015 -3.715 6.031 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -4.817 -3.288 7.276 1.00 1.00 H new ATOM 370 N GLY A 26 -3.627 -7.717 4.224 1.00 1.00 N ATOM 371 CA GLY A 26 -3.870 -8.060 2.825 1.00 1.00 C ATOM 372 C GLY A 26 -2.665 -7.721 1.966 1.00 1.00 C ATOM 373 O GLY A 26 -1.692 -7.134 2.437 1.00 1.00 O ATOM 0 H GLY A 26 -2.683 -7.383 4.418 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.094 -9.123 2.741 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.744 -7.521 2.461 1.00 1.00 H new ATOM 377 N SER A 27 -2.740 -8.094 0.693 1.00 1.00 N ATOM 378 CA SER A 27 -1.651 -7.826 -0.265 1.00 1.00 C ATOM 379 C SER A 27 -2.221 -7.469 -1.639 1.00 1.00 C ATOM 380 O SER A 27 -3.170 -8.085 -2.128 1.00 1.00 O ATOM 381 CB SER A 27 -0.734 -9.047 -0.384 1.00 1.00 C ATOM 382 OG SER A 27 0.317 -8.747 -1.294 1.00 1.00 O ATOM 0 H SER A 27 -3.540 -8.583 0.292 1.00 1.00 H new ATOM 0 HA SER A 27 -1.070 -6.981 0.105 1.00 1.00 H new ATOM 0 HB2 SER A 27 -0.325 -9.307 0.592 1.00 1.00 H new ATOM 0 HB3 SER A 27 -1.300 -9.911 -0.733 1.00 1.00 H new ATOM 0 HG SER A 27 0.833 -7.985 -0.958 1.00 1.00 H new ATOM 388 N LEU A 28 -1.620 -6.459 -2.258 1.00 1.00 N ATOM 389 CA LEU A 28 -2.056 -5.989 -3.586 1.00 1.00 C ATOM 390 C LEU A 28 -1.133 -6.569 -4.651 1.00 1.00 C ATOM 391 O LEU A 28 -0.117 -7.200 -4.358 1.00 1.00 O ATOM 392 CB LEU A 28 -2.003 -4.430 -3.646 1.00 1.00 C ATOM 393 CG LEU A 28 -0.596 -3.878 -3.152 1.00 1.00 C ATOM 394 CD1 LEU A 28 -0.099 -2.723 -4.055 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.695 -3.385 -1.685 1.00 1.00 C ATOM 0 H LEU A 28 -0.830 -5.945 -1.869 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.080 -6.317 -3.765 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -2.188 -4.097 -4.667 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -2.797 -4.013 -3.026 1.00 1.00 H new ATOM 0 HG LEU A 28 0.121 -4.697 -3.211 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.865 -2.366 -3.692 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.009 -3.082 -5.079 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.820 -1.906 -4.031 1.00 1.00 H new ATOM 0 HD21 LEU A 28 0.276 -3.010 -1.361 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -1.433 -2.586 -1.619 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -0.997 -4.212 -1.043 1.00 1.00 H new ATOM 407 N SER A 29 -1.518 -6.359 -5.905 1.00 1.00 N ATOM 408 CA SER A 29 -0.742 -6.871 -7.043 1.00 1.00 C ATOM 409 C SER A 29 0.292 -5.846 -7.480 1.00 1.00 C ATOM 410 O SER A 29 0.123 -4.645 -7.268 1.00 1.00 O ATOM 411 CB SER A 29 -1.691 -7.189 -8.207 1.00 1.00 C ATOM 412 OG SER A 29 -2.616 -8.178 -7.780 1.00 1.00 O ATOM 0 H SER A 29 -2.357 -5.841 -6.165 1.00 1.00 H new ATOM 0 HA SER A 29 -0.222 -7.780 -6.741 1.00 1.00 H new ATOM 0 HB2 SER A 29 -2.218 -6.289 -8.522 1.00 1.00 H new ATOM 0 HB3 SER A 29 -1.127 -7.546 -9.069 1.00 1.00 H new ATOM 0 HG SER A 29 -3.230 -8.390 -8.514 1.00 1.00 H new ATOM 418 N GLY A 30 1.360 -6.327 -8.110 1.00 1.00 N ATOM 419 CA GLY A 30 2.422 -5.458 -8.595 1.00 1.00 C ATOM 420 C GLY A 30 1.966 -4.723 -9.848 1.00 1.00 C ATOM 421 O GLY A 30 1.145 -5.224 -10.615 1.00 1.00 O ATOM 0 H GLY A 30 1.511 -7.318 -8.296 1.00 1.00 H new ATOM 0 HA2 GLY A 30 2.696 -4.740 -7.822 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.313 -6.047 -8.813 1.00 1.00 H new ATOM 425 N ASN A 31 2.512 -3.528 -10.051 1.00 1.00 N ATOM 426 CA ASN A 31 2.170 -2.696 -11.226 1.00 1.00 C ATOM 427 C ASN A 31 0.784 -2.069 -11.056 1.00 1.00 C ATOM 428 O ASN A 31 0.172 -1.621 -12.025 1.00 1.00 O ATOM 429 CB ASN A 31 2.211 -3.536 -12.550 1.00 1.00 C ATOM 430 CG ASN A 31 2.411 -2.651 -13.786 1.00 1.00 C ATOM 431 OD1 ASN A 31 3.397 -1.916 -13.870 1.00 1.00 O ATOM 432 ND2 ASN A 31 1.526 -2.680 -14.742 1.00 1.00 N ATOM 0 H ASN A 31 3.195 -3.104 -9.423 1.00 1.00 H new ATOM 0 HA ASN A 31 2.916 -1.904 -11.296 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.019 -4.265 -12.492 1.00 1.00 H new ATOM 0 HB3 ASN A 31 1.282 -4.097 -12.652 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.647 -2.092 -15.567 1.00 1.00 H new ATOM 0 HD22 ASN A 31 0.713 -3.291 -14.666 1.00 1.00 H new ATOM 439 N THR A 32 0.298 -2.048 -9.819 1.00 1.00 N ATOM 440 CA THR A 32 -1.032 -1.473 -9.525 1.00 1.00 C ATOM 441 C THR A 32 -0.907 0.025 -9.258 1.00 1.00 C ATOM 442 O THR A 32 -0.055 0.467 -8.488 1.00 1.00 O ATOM 443 CB THR A 32 -1.665 -2.180 -8.308 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.714 -3.572 -8.573 1.00 1.00 O ATOM 445 CG2 THR A 32 -3.104 -1.676 -8.054 1.00 1.00 C ATOM 0 H THR A 32 0.790 -2.415 -9.005 1.00 1.00 H new ATOM 0 HA THR A 32 -1.678 -1.625 -10.390 1.00 1.00 H new ATOM 0 HB THR A 32 -1.061 -1.965 -7.426 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.326 -4.063 -7.818 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.523 -2.192 -7.191 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.085 -0.603 -7.861 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.720 -1.876 -8.931 1.00 1.00 H new ATOM 453 N LYS A 33 -1.776 0.801 -9.898 1.00 1.00 N ATOM 454 CA LYS A 33 -1.776 2.251 -9.733 1.00 1.00 C ATOM 455 C LYS A 33 -2.543 2.623 -8.474 1.00 1.00 C ATOM 456 O LYS A 33 -3.535 1.991 -8.112 1.00 1.00 O ATOM 457 CB LYS A 33 -2.439 2.914 -10.947 1.00 1.00 C ATOM 458 CG LYS A 33 -1.652 2.567 -12.232 1.00 1.00 C ATOM 459 CD LYS A 33 -2.288 3.268 -13.485 1.00 1.00 C ATOM 460 CE LYS A 33 -1.803 4.728 -13.622 1.00 1.00 C ATOM 461 NZ LYS A 33 -0.330 4.719 -13.828 1.00 1.00 N ATOM 0 H LYS A 33 -2.490 0.450 -10.536 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.746 2.599 -9.649 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -3.471 2.575 -11.039 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.470 3.995 -10.810 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.614 2.880 -12.123 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -1.645 1.487 -12.379 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.029 2.711 -14.386 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -3.375 3.251 -13.401 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.300 5.215 -14.461 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -2.057 5.297 -12.728 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 0.135 5.202 -13.033 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.007 3.737 -13.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -0.100 5.212 -14.715 1.00 1.00 H new ATOM 475 N VAL A 34 -2.066 3.667 -7.806 1.00 1.00 N ATOM 476 CA VAL A 34 -2.698 4.144 -6.571 1.00 1.00 C ATOM 477 C VAL A 34 -2.537 5.668 -6.457 1.00 1.00 C ATOM 478 O VAL A 34 -1.436 6.200 -6.589 1.00 1.00 O ATOM 479 CB VAL A 34 -2.062 3.421 -5.342 1.00 1.00 C ATOM 480 CG1 VAL A 34 -2.454 1.910 -5.324 1.00 1.00 C ATOM 481 CG2 VAL A 34 -0.517 3.551 -5.381 1.00 1.00 C ATOM 0 H VAL A 34 -1.246 4.201 -8.094 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.763 3.914 -6.593 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.443 3.896 -4.438 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -2.000 1.427 -4.459 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -3.538 1.816 -5.264 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -2.098 1.431 -6.236 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -0.087 3.042 -4.518 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -0.137 3.097 -6.296 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -0.240 4.605 -5.356 1.00 1.00 H new ATOM 491 N THR A 35 -3.645 6.352 -6.186 1.00 1.00 N ATOM 492 CA THR A 35 -3.625 7.810 -6.040 1.00 1.00 C ATOM 493 C THR A 35 -3.276 8.160 -4.608 1.00 1.00 C ATOM 494 O THR A 35 -4.160 8.327 -3.768 1.00 1.00 O ATOM 495 CB THR A 35 -5.004 8.410 -6.406 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.382 7.943 -7.692 1.00 1.00 O ATOM 497 CG2 THR A 35 -4.942 9.958 -6.417 1.00 1.00 C ATOM 0 H THR A 35 -4.564 5.927 -6.063 1.00 1.00 H new ATOM 0 HA THR A 35 -2.878 8.227 -6.715 1.00 1.00 H new ATOM 0 HB THR A 35 -5.736 8.099 -5.661 1.00 1.00 H new ATOM 0 HG1 THR A 35 -6.256 8.317 -7.932 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.922 10.360 -6.677 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.652 10.318 -5.430 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.208 10.288 -7.153 1.00 1.00 H new ATOM 505 N ILE A 36 -1.981 8.290 -4.330 1.00 1.00 N ATOM 506 CA ILE A 36 -1.518 8.650 -2.945 1.00 1.00 C ATOM 507 C ILE A 36 -2.511 9.615 -2.244 1.00 1.00 C ATOM 508 O ILE A 36 -3.144 10.434 -2.910 1.00 1.00 O ATOM 509 CB ILE A 36 -0.105 9.307 -3.002 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.877 8.410 -3.873 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.452 9.513 -1.557 1.00 1.00 C ATOM 512 CD1 ILE A 36 1.030 8.985 -5.299 1.00 1.00 C ATOM 0 H ILE A 36 -1.232 8.160 -5.010 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.470 7.728 -2.365 1.00 1.00 H new ATOM 0 HB ILE A 36 -0.183 10.285 -3.476 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.853 8.359 -3.391 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.494 7.391 -3.927 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.439 9.972 -1.610 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -0.221 10.162 -0.997 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.527 8.548 -1.055 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.707 8.354 -5.875 1.00 1.00 H new ATOM 0 HD12 ILE A 36 0.056 9.012 -5.787 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.436 9.995 -5.242 1.00 1.00 H new ATOM 524 N VAL A 37 -2.642 9.498 -0.927 1.00 1.00 N ATOM 525 CA VAL A 37 -3.584 10.350 -0.166 1.00 1.00 C ATOM 526 C VAL A 37 -2.993 10.711 1.192 1.00 1.00 C ATOM 527 O VAL A 37 -3.541 10.359 2.237 1.00 1.00 O ATOM 528 CB VAL A 37 -4.960 9.614 0.017 1.00 1.00 C ATOM 529 CG1 VAL A 37 -6.048 10.623 0.465 1.00 1.00 C ATOM 530 CG2 VAL A 37 -5.392 8.932 -1.305 1.00 1.00 C ATOM 0 H VAL A 37 -2.119 8.832 -0.358 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.753 11.269 -0.728 1.00 1.00 H new ATOM 0 HB VAL A 37 -4.842 8.849 0.784 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -6.998 10.103 0.589 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -5.756 11.076 1.412 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -6.156 11.401 -0.291 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -6.347 8.427 -1.159 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.495 9.685 -2.086 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.638 8.203 -1.602 1.00 1.00 H new ATOM 540 N GLY A 38 -1.873 11.425 1.168 1.00 1.00 N ATOM 541 CA GLY A 38 -1.180 11.859 2.384 1.00 1.00 C ATOM 542 C GLY A 38 0.106 11.087 2.563 1.00 1.00 C ATOM 543 O GLY A 38 0.355 10.071 1.913 1.00 1.00 O ATOM 0 H GLY A 38 -1.416 11.722 0.306 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.966 12.926 2.326 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -1.825 11.710 3.250 1.00 1.00 H new ATOM 547 N GLU A 39 0.938 11.591 3.469 1.00 1.00 N ATOM 548 CA GLU A 39 2.239 10.957 3.758 1.00 1.00 C ATOM 549 C GLU A 39 2.544 11.040 5.250 1.00 1.00 C ATOM 550 O GLU A 39 2.172 11.998 5.926 1.00 1.00 O ATOM 551 CB GLU A 39 3.345 11.661 2.939 1.00 1.00 C ATOM 552 CG GLU A 39 3.319 13.183 3.200 1.00 1.00 C ATOM 553 CD GLU A 39 4.421 13.880 2.402 1.00 1.00 C ATOM 554 OE1 GLU A 39 4.657 13.473 1.277 1.00 1.00 O ATOM 555 OE2 GLU A 39 5.012 14.808 2.930 1.00 1.00 O ATOM 0 H GLU A 39 0.745 12.430 4.017 1.00 1.00 H new ATOM 0 HA GLU A 39 2.201 9.905 3.475 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.320 11.256 3.208 1.00 1.00 H new ATOM 0 HB3 GLU A 39 3.201 11.465 1.877 1.00 1.00 H new ATOM 0 HG2 GLU A 39 2.347 13.590 2.921 1.00 1.00 H new ATOM 0 HG3 GLU A 39 3.453 13.378 4.264 1.00 1.00 H new ATOM 562 N GLU A 40 3.234 10.022 5.755 1.00 1.00 N ATOM 563 CA GLU A 40 3.604 9.983 7.173 1.00 1.00 C ATOM 564 C GLU A 40 4.856 9.125 7.368 1.00 1.00 C ATOM 565 O GLU A 40 4.885 7.963 6.963 1.00 1.00 O ATOM 566 CB GLU A 40 2.424 9.425 8.003 1.00 1.00 C ATOM 567 CG GLU A 40 2.730 9.510 9.519 1.00 1.00 C ATOM 568 CD GLU A 40 1.538 9.017 10.336 1.00 1.00 C ATOM 569 OE1 GLU A 40 0.997 7.982 9.988 1.00 1.00 O ATOM 570 OE2 GLU A 40 1.187 9.679 11.301 1.00 1.00 O ATOM 0 H GLU A 40 3.548 9.218 5.212 1.00 1.00 H new ATOM 0 HA GLU A 40 3.827 10.994 7.515 1.00 1.00 H new ATOM 0 HB2 GLU A 40 1.517 9.987 7.778 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.234 8.389 7.723 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.610 8.911 9.752 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.964 10.539 9.791 1.00 1.00 H new ATOM 577 N GLY A 41 5.872 9.695 8.005 1.00 1.00 N ATOM 578 CA GLY A 41 7.118 8.968 8.261 1.00 1.00 C ATOM 579 C GLY A 41 7.654 8.308 6.983 1.00 1.00 C ATOM 580 O GLY A 41 8.067 8.983 6.040 1.00 1.00 O ATOM 0 H GLY A 41 5.862 10.653 8.354 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.866 9.654 8.659 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.947 8.206 9.022 1.00 1.00 H new ATOM 584 N ALA A 42 7.631 6.977 6.965 1.00 1.00 N ATOM 585 CA ALA A 42 8.096 6.191 5.798 1.00 1.00 C ATOM 586 C ALA A 42 6.930 5.424 5.192 1.00 1.00 C ATOM 587 O ALA A 42 7.151 4.427 4.505 1.00 1.00 O ATOM 588 CB ALA A 42 9.198 5.199 6.225 1.00 1.00 C ATOM 0 H ALA A 42 7.296 6.408 7.743 1.00 1.00 H new ATOM 0 HA ALA A 42 8.504 6.878 5.056 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.530 4.628 5.358 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.041 5.749 6.642 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.802 4.517 6.978 1.00 1.00 H new ATOM 594 N PHE A 43 5.704 5.882 5.430 1.00 1.00 N ATOM 595 CA PHE A 43 4.497 5.223 4.892 1.00 1.00 C ATOM 596 C PHE A 43 3.449 6.266 4.506 1.00 1.00 C ATOM 597 O PHE A 43 3.404 7.375 5.040 1.00 1.00 O ATOM 598 CB PHE A 43 3.895 4.260 5.938 1.00 1.00 C ATOM 599 CG PHE A 43 4.978 3.284 6.403 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.841 3.648 7.455 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.135 2.026 5.785 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.838 2.767 7.886 1.00 1.00 C ATOM 603 CE2 PHE A 43 6.138 1.148 6.222 1.00 1.00 C ATOM 604 CZ PHE A 43 6.989 1.520 7.270 1.00 1.00 C ATOM 0 H PHE A 43 5.510 6.710 5.993 1.00 1.00 H new ATOM 0 HA PHE A 43 4.787 4.657 4.007 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.506 4.822 6.787 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.056 3.713 5.507 1.00 1.00 H new ATOM 0 HD1 PHE A 43 5.732 4.611 7.931 1.00 1.00 H new ATOM 0 HD2 PHE A 43 4.482 1.738 4.974 1.00 1.00 H new ATOM 0 HE1 PHE A 43 7.493 3.050 8.697 1.00 1.00 H new ATOM 0 HE2 PHE A 43 6.254 0.184 5.750 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.762 0.844 7.603 1.00 1.00 H new ATOM 614 N TYR A 44 2.599 5.887 3.556 1.00 1.00 N ATOM 615 CA TYR A 44 1.530 6.764 3.049 1.00 1.00 C ATOM 616 C TYR A 44 0.235 5.996 2.949 1.00 1.00 C ATOM 617 O TYR A 44 0.186 4.773 3.087 1.00 1.00 O ATOM 618 CB TYR A 44 1.922 7.331 1.666 1.00 1.00 C ATOM 619 CG TYR A 44 2.323 6.184 0.731 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.573 5.563 0.888 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.458 5.736 -0.290 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.952 4.515 0.045 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.850 4.688 -1.130 1.00 1.00 C ATOM 624 CZ TYR A 44 3.089 4.080 -0.962 1.00 1.00 C ATOM 625 OH TYR A 44 3.456 3.040 -1.789 1.00 1.00 O ATOM 0 H TYR A 44 2.625 4.969 3.113 1.00 1.00 H new ATOM 0 HA TYR A 44 1.394 7.593 3.743 1.00 1.00 H new ATOM 0 HB2 TYR A 44 1.086 7.885 1.239 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.749 8.033 1.771 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.245 5.897 1.665 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.493 6.202 -0.423 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.914 4.041 0.173 1.00 1.00 H new ATOM 0 HE2 TYR A 44 1.187 4.350 -1.913 1.00 1.00 H new ATOM 0 HH TYR A 44 2.738 2.865 -2.433 1.00 1.00 H new ATOM 635 N LYS A 45 -0.841 6.741 2.719 1.00 1.00 N ATOM 636 CA LYS A 45 -2.177 6.144 2.610 1.00 1.00 C ATOM 637 C LYS A 45 -2.517 5.896 1.145 1.00 1.00 C ATOM 638 O LYS A 45 -2.041 6.584 0.243 1.00 1.00 O ATOM 639 CB LYS A 45 -3.227 7.076 3.254 1.00 1.00 C ATOM 640 CG LYS A 45 -4.614 6.378 3.313 1.00 1.00 C ATOM 641 CD LYS A 45 -5.643 7.262 4.044 1.00 1.00 C ATOM 642 CE LYS A 45 -6.997 6.529 4.114 1.00 1.00 C ATOM 643 NZ LYS A 45 -7.464 6.236 2.729 1.00 1.00 N ATOM 0 H LYS A 45 -0.820 7.754 2.604 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.186 5.191 3.139 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -2.909 7.351 4.260 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -3.303 7.999 2.680 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -4.963 6.167 2.302 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -4.522 5.420 3.825 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -5.290 7.493 5.049 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -5.759 8.211 3.521 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -6.895 5.603 4.680 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -7.731 7.143 4.636 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -7.700 5.226 2.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.308 6.807 2.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -6.710 6.470 2.052 1.00 1.00 H new ATOM 657 N ILE A 46 -3.356 4.889 0.922 1.00 1.00 N ATOM 658 CA ILE A 46 -3.795 4.527 -0.430 1.00 1.00 C ATOM 659 C ILE A 46 -5.252 4.071 -0.402 1.00 1.00 C ATOM 660 O ILE A 46 -5.807 3.712 0.638 1.00 1.00 O ATOM 661 CB ILE A 46 -2.888 3.396 -1.008 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.756 2.250 0.040 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.480 3.952 -1.345 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.085 1.014 -0.571 1.00 1.00 C ATOM 0 H ILE A 46 -3.749 4.305 1.660 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.712 5.403 -1.073 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.343 3.011 -1.921 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -2.174 2.599 0.893 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.743 1.982 0.416 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.859 3.151 -1.747 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.570 4.747 -2.085 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.019 4.349 -0.440 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.007 0.232 0.184 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.682 0.652 -1.408 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.088 1.278 -0.924 1.00 1.00 H new ATOM 676 N GLU A 47 -5.861 4.078 -1.582 1.00 1.00 N ATOM 677 CA GLU A 47 -7.269 3.650 -1.733 1.00 1.00 C ATOM 678 C GLU A 47 -7.373 2.556 -2.784 1.00 1.00 C ATOM 679 O GLU A 47 -7.452 2.827 -3.982 1.00 1.00 O ATOM 680 CB GLU A 47 -8.154 4.850 -2.140 1.00 1.00 C ATOM 681 CG GLU A 47 -9.654 4.457 -2.105 1.00 1.00 C ATOM 682 CD GLU A 47 -10.524 5.652 -2.476 1.00 1.00 C ATOM 683 OE1 GLU A 47 -10.341 6.696 -1.874 1.00 1.00 O ATOM 684 OE2 GLU A 47 -11.362 5.506 -3.353 1.00 1.00 O ATOM 0 H GLU A 47 -5.415 4.372 -2.451 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.618 3.261 -0.776 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -7.976 5.686 -1.464 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -7.883 5.186 -3.141 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -9.838 3.636 -2.798 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -9.920 4.100 -1.110 1.00 1.00 H new ATOM 691 N TYR A 48 -7.392 1.310 -2.320 1.00 1.00 N ATOM 692 CA TYR A 48 -7.505 0.155 -3.222 1.00 1.00 C ATOM 693 C TYR A 48 -8.511 -0.846 -2.663 1.00 1.00 C ATOM 694 O TYR A 48 -8.710 -0.941 -1.452 1.00 1.00 O ATOM 695 CB TYR A 48 -6.114 -0.508 -3.389 1.00 1.00 C ATOM 696 CG TYR A 48 -6.154 -1.481 -4.585 1.00 1.00 C ATOM 697 CD1 TYR A 48 -6.174 -0.964 -5.895 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.199 -2.879 -4.395 1.00 1.00 C ATOM 699 CE1 TYR A 48 -6.234 -1.831 -6.996 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.256 -3.738 -5.504 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.274 -3.213 -6.800 1.00 1.00 C ATOM 702 OH TYR A 48 -6.330 -4.061 -7.888 1.00 1.00 O ATOM 0 H TYR A 48 -7.331 1.069 -1.331 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.857 0.489 -4.198 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.352 0.254 -3.551 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.842 -1.043 -2.479 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -6.143 0.104 -6.052 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.190 -3.288 -3.396 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -6.249 -1.429 -7.998 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.286 -4.807 -5.356 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.351 -4.990 -7.578 1.00 1.00 H new ATOM 712 N LYS A 49 -9.127 -1.610 -3.560 1.00 1.00 N ATOM 713 CA LYS A 49 -10.118 -2.626 -3.157 1.00 1.00 C ATOM 714 C LYS A 49 -11.263 -1.984 -2.341 1.00 1.00 C ATOM 715 O LYS A 49 -12.074 -2.685 -1.734 1.00 1.00 O ATOM 716 CB LYS A 49 -9.403 -3.770 -2.328 1.00 1.00 C ATOM 717 CG LYS A 49 -9.043 -4.969 -3.238 1.00 1.00 C ATOM 718 CD LYS A 49 -8.235 -6.018 -2.446 1.00 1.00 C ATOM 719 CE LYS A 49 -7.902 -7.217 -3.344 1.00 1.00 C ATOM 720 NZ LYS A 49 -7.112 -8.194 -2.557 1.00 1.00 N ATOM 0 H LYS A 49 -8.965 -1.553 -4.565 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.558 -3.065 -4.052 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.499 -3.377 -1.863 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.057 -4.103 -1.522 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -9.953 -5.422 -3.631 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.463 -4.624 -4.094 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.316 -5.571 -2.068 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -8.807 -6.351 -1.580 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -8.818 -7.680 -3.712 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -7.337 -6.890 -4.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -6.879 -9.013 -3.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -6.234 -7.745 -2.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -7.668 -8.510 -1.737 1.00 1.00 H new ATOM 734 N GLY A 50 -11.302 -0.656 -2.327 1.00 1.00 N ATOM 735 CA GLY A 50 -12.335 0.082 -1.581 1.00 1.00 C ATOM 736 C GLY A 50 -11.958 0.173 -0.107 1.00 1.00 C ATOM 737 O GLY A 50 -12.687 0.760 0.694 1.00 1.00 O ATOM 0 H GLY A 50 -10.635 -0.062 -2.820 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.449 1.083 -1.997 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.298 -0.418 -1.687 1.00 1.00 H new ATOM 741 N SER A 51 -10.812 -0.402 0.243 1.00 1.00 N ATOM 742 CA SER A 51 -10.282 -0.414 1.627 1.00 1.00 C ATOM 743 C SER A 51 -9.038 0.462 1.721 1.00 1.00 C ATOM 744 O SER A 51 -8.524 0.964 0.720 1.00 1.00 O ATOM 745 CB SER A 51 -9.937 -1.854 2.069 1.00 1.00 C ATOM 746 OG SER A 51 -11.107 -2.656 1.999 1.00 1.00 O ATOM 0 H SER A 51 -10.208 -0.882 -0.425 1.00 1.00 H new ATOM 0 HA SER A 51 -11.052 -0.019 2.289 1.00 1.00 H new ATOM 0 HB2 SER A 51 -9.159 -2.268 1.427 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.544 -1.851 3.086 1.00 1.00 H new ATOM 0 HG SER A 51 -10.893 -3.571 2.277 1.00 1.00 H new ATOM 752 N HIS A 52 -8.561 0.643 2.948 1.00 1.00 N ATOM 753 CA HIS A 52 -7.362 1.472 3.209 1.00 1.00 C ATOM 754 C HIS A 52 -6.180 0.581 3.568 1.00 1.00 C ATOM 755 O HIS A 52 -6.326 -0.460 4.210 1.00 1.00 O ATOM 756 CB HIS A 52 -7.648 2.446 4.365 1.00 1.00 C ATOM 757 CG HIS A 52 -8.834 3.298 4.016 1.00 1.00 C ATOM 758 ND1 HIS A 52 -9.176 3.978 2.871 1.00 1.00 N flip ATOM 759 CD2 HIS A 52 -9.862 3.521 4.911 1.00 1.00 C flip ATOM 760 CE1 HIS A 52 -10.397 4.615 3.056 1.00 1.00 C flip ATOM 761 NE2 HIS A 52 -10.767 4.307 4.303 1.00 1.00 N flip ATOM 0 H HIS A 52 -8.977 0.233 3.784 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.119 2.039 2.310 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -7.842 1.891 5.283 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.777 3.074 4.550 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -9.927 3.134 5.917 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.932 5.227 2.345 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -11.631 4.629 4.740 1.00 1.00 H new ATOM 770 N GLY A 53 -4.995 1.010 3.146 1.00 1.00 N ATOM 771 CA GLY A 53 -3.764 0.260 3.399 1.00 1.00 C ATOM 772 C GLY A 53 -2.566 1.190 3.459 1.00 1.00 C ATOM 773 O GLY A 53 -2.662 2.372 3.126 1.00 1.00 O ATOM 0 H GLY A 53 -4.858 1.876 2.625 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.853 -0.286 4.338 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.616 -0.480 2.612 1.00 1.00 H new ATOM 777 N TYR A 54 -1.427 0.643 3.868 1.00 1.00 N ATOM 778 CA TYR A 54 -0.169 1.420 3.962 1.00 1.00 C ATOM 779 C TYR A 54 0.976 0.652 3.310 1.00 1.00 C ATOM 780 O TYR A 54 1.034 -0.578 3.354 1.00 1.00 O ATOM 781 CB TYR A 54 0.163 1.697 5.438 1.00 1.00 C ATOM 782 CG TYR A 54 -0.989 2.484 6.067 1.00 1.00 C ATOM 783 CD1 TYR A 54 -2.110 1.800 6.571 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.945 3.892 6.140 1.00 1.00 C ATOM 785 CE1 TYR A 54 -3.167 2.511 7.142 1.00 1.00 C ATOM 786 CE2 TYR A 54 -2.009 4.597 6.715 1.00 1.00 C ATOM 787 CZ TYR A 54 -3.116 3.905 7.216 1.00 1.00 C ATOM 788 OH TYR A 54 -4.161 4.602 7.783 1.00 1.00 O ATOM 0 H TYR A 54 -1.336 -0.335 4.143 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.300 2.367 3.439 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.315 0.759 5.972 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.092 2.262 5.516 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.153 0.722 6.516 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -0.090 4.426 5.752 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -4.026 1.982 7.527 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.975 5.675 6.772 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.967 5.562 7.756 1.00 1.00 H new ATOM 798 N VAL A 55 1.894 1.399 2.707 1.00 1.00 N ATOM 799 CA VAL A 55 3.058 0.797 2.032 1.00 1.00 C ATOM 800 C VAL A 55 4.293 1.674 2.224 1.00 1.00 C ATOM 801 O VAL A 55 4.204 2.899 2.306 1.00 1.00 O ATOM 802 CB VAL A 55 2.760 0.610 0.515 1.00 1.00 C ATOM 803 CG1 VAL A 55 3.923 -0.151 -0.173 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.427 -0.175 0.323 1.00 1.00 C ATOM 0 H VAL A 55 1.863 2.418 2.667 1.00 1.00 H new ATOM 0 HA VAL A 55 3.253 -0.180 2.474 1.00 1.00 H new ATOM 0 HB VAL A 55 2.663 1.594 0.056 1.00 1.00 H new ATOM 0 HG11 VAL A 55 3.701 -0.274 -1.233 1.00 1.00 H new ATOM 0 HG12 VAL A 55 4.847 0.417 -0.060 1.00 1.00 H new ATOM 0 HG13 VAL A 55 4.040 -1.131 0.289 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.228 -0.300 -0.741 1.00 1.00 H new ATOM 0 HG22 VAL A 55 1.510 -1.154 0.794 1.00 1.00 H new ATOM 0 HG23 VAL A 55 0.609 0.380 0.782 1.00 1.00 H new ATOM 814 N ALA A 56 5.451 1.026 2.292 1.00 1.00 N ATOM 815 CA ALA A 56 6.715 1.731 2.466 1.00 1.00 C ATOM 816 C ALA A 56 7.050 2.535 1.207 1.00 1.00 C ATOM 817 O ALA A 56 6.629 2.196 0.101 1.00 1.00 O ATOM 818 CB ALA A 56 7.838 0.724 2.765 1.00 1.00 C ATOM 0 H ALA A 56 5.540 0.012 2.229 1.00 1.00 H new ATOM 0 HA ALA A 56 6.623 2.420 3.306 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.780 1.257 2.894 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.603 0.177 3.678 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.929 0.023 1.935 1.00 1.00 H new ATOM 824 N LYS A 57 7.812 3.609 1.394 1.00 1.00 N ATOM 825 CA LYS A 57 8.218 4.479 0.270 1.00 1.00 C ATOM 826 C LYS A 57 9.533 3.999 -0.331 1.00 1.00 C ATOM 827 O LYS A 57 9.837 4.289 -1.489 1.00 1.00 O ATOM 828 CB LYS A 57 8.363 5.939 0.745 1.00 1.00 C ATOM 829 CG LYS A 57 6.984 6.497 1.173 1.00 1.00 C ATOM 830 CD LYS A 57 7.106 7.986 1.573 1.00 1.00 C ATOM 831 CE LYS A 57 5.727 8.567 1.906 1.00 1.00 C ATOM 832 NZ LYS A 57 5.180 7.851 3.080 1.00 1.00 N ATOM 0 H LYS A 57 8.164 3.905 2.304 1.00 1.00 H new ATOM 0 HA LYS A 57 7.443 4.430 -0.495 1.00 1.00 H new ATOM 0 HB2 LYS A 57 9.060 5.990 1.581 1.00 1.00 H new ATOM 0 HB3 LYS A 57 8.779 6.551 -0.055 1.00 1.00 H new ATOM 0 HG2 LYS A 57 6.272 6.391 0.355 1.00 1.00 H new ATOM 0 HG3 LYS A 57 6.595 5.919 2.011 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.766 8.084 2.435 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.558 8.552 0.758 1.00 1.00 H new ATOM 0 HE2 LYS A 57 5.808 9.633 2.118 1.00 1.00 H new ATOM 0 HE3 LYS A 57 5.057 8.461 1.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 4.310 8.322 3.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 4.965 6.868 2.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 5.880 7.859 3.849 1.00 1.00 H new ATOM 846 N GLU A 58 10.310 3.263 0.458 1.00 1.00 N ATOM 847 CA GLU A 58 11.607 2.762 -0.008 1.00 1.00 C ATOM 848 C GLU A 58 11.448 2.018 -1.344 1.00 1.00 C ATOM 849 O GLU A 58 12.312 2.089 -2.217 1.00 1.00 O ATOM 850 CB GLU A 58 12.183 1.801 1.051 1.00 1.00 C ATOM 851 CG GLU A 58 12.418 2.547 2.383 1.00 1.00 C ATOM 852 CD GLU A 58 12.985 1.604 3.453 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.149 0.423 3.171 1.00 1.00 O ATOM 854 OE2 GLU A 58 13.248 2.076 4.546 1.00 1.00 O ATOM 0 H GLU A 58 10.071 3.000 1.414 1.00 1.00 H new ATOM 0 HA GLU A 58 12.283 3.604 -0.157 1.00 1.00 H new ATOM 0 HB2 GLU A 58 11.496 0.969 1.209 1.00 1.00 H new ATOM 0 HB3 GLU A 58 13.121 1.376 0.694 1.00 1.00 H new ATOM 0 HG2 GLU A 58 13.107 3.376 2.222 1.00 1.00 H new ATOM 0 HG3 GLU A 58 11.479 2.977 2.733 1.00 1.00 H new ATOM 861 N TYR A 59 10.330 1.314 -1.487 1.00 1.00 N ATOM 862 CA TYR A 59 10.037 0.570 -2.727 1.00 1.00 C ATOM 863 C TYR A 59 9.882 1.534 -3.906 1.00 1.00 C ATOM 864 O TYR A 59 10.178 1.179 -5.046 1.00 1.00 O ATOM 865 CB TYR A 59 8.734 -0.265 -2.539 1.00 1.00 C ATOM 866 CG TYR A 59 9.060 -1.580 -1.820 1.00 1.00 C ATOM 867 CD1 TYR A 59 9.366 -1.563 -0.449 1.00 1.00 C ATOM 868 CD2 TYR A 59 9.075 -2.807 -2.520 1.00 1.00 C ATOM 869 CE1 TYR A 59 9.677 -2.754 0.213 1.00 1.00 C ATOM 870 CE2 TYR A 59 9.390 -3.993 -1.851 1.00 1.00 C ATOM 871 CZ TYR A 59 9.690 -3.967 -0.486 1.00 1.00 C ATOM 872 OH TYR A 59 9.998 -5.138 0.170 1.00 1.00 O ATOM 0 H TYR A 59 9.609 1.237 -0.769 1.00 1.00 H new ATOM 0 HA TYR A 59 10.867 -0.103 -2.942 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.006 0.305 -1.962 1.00 1.00 H new ATOM 0 HB3 TYR A 59 8.281 -0.472 -3.508 1.00 1.00 H new ATOM 0 HD1 TYR A 59 9.361 -0.629 0.094 1.00 1.00 H new ATOM 0 HD2 TYR A 59 8.843 -2.829 -3.574 1.00 1.00 H new ATOM 0 HE1 TYR A 59 9.908 -2.739 1.268 1.00 1.00 H new ATOM 0 HE2 TYR A 59 9.402 -4.930 -2.389 1.00 1.00 H new ATOM 0 HH TYR A 59 9.960 -5.886 -0.462 1.00 1.00 H new ATOM 882 N ILE A 60 9.415 2.747 -3.624 1.00 1.00 N ATOM 883 CA ILE A 60 9.216 3.753 -4.677 1.00 1.00 C ATOM 884 C ILE A 60 10.569 4.402 -4.996 1.00 1.00 C ATOM 885 O ILE A 60 11.107 4.120 -6.055 1.00 1.00 O ATOM 886 CB ILE A 60 8.186 4.825 -4.203 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.860 4.124 -3.771 1.00 1.00 C ATOM 888 CG2 ILE A 60 7.902 5.825 -5.355 1.00 1.00 C ATOM 889 CD1 ILE A 60 5.868 5.137 -3.171 1.00 1.00 C ATOM 890 OXT ILE A 60 11.046 5.168 -4.173 1.00 1.00 O ATOM 0 H ILE A 60 9.168 3.061 -2.686 1.00 1.00 H new ATOM 0 HA ILE A 60 8.820 3.282 -5.577 1.00 1.00 H new ATOM 0 HB ILE A 60 8.598 5.368 -3.353 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.407 3.633 -4.632 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.078 3.346 -3.039 1.00 1.00 H new ATOM 0 HG21 ILE A 60 7.182 6.572 -5.019 1.00 1.00 H new ATOM 0 HG22 ILE A 60 8.829 6.319 -5.645 1.00 1.00 H new ATOM 0 HG23 ILE A 60 7.495 5.287 -6.211 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.953 4.621 -2.879 1.00 1.00 H new ATOM 0 HD12 ILE A 60 6.314 5.608 -2.295 1.00 1.00 H new ATOM 0 HD13 ILE A 60 5.633 5.900 -3.913 1.00 1.00 H new