USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 59 SER OG : rot 180:sc= 0.0289 USER MOD Set 1.2: A 62 SER OG : rot -66:sc= -0.164 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.0687 K(o=-0.069,f=-0.74) USER MOD Single : A 15 MET CE :methyl 141:sc= -0.341 (180deg=-2.64!) USER MOD Single : A 16 ASN : amide:sc= -0.0099 K(o=-0.0099,f=-1.9) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -156:sc= -0.153 (180deg=-0.78) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.39 K(o=-2.4,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= -0.702 K(o=-0.7,f=-0.053) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.5!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.0025) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.168 33.075 -14.453 1.00 0.00 N ATOM 2 CA GLY A 1 -1.869 34.333 -14.074 1.00 0.00 C ATOM 3 C GLY A 1 -2.079 34.451 -12.577 1.00 0.00 C ATOM 4 O GLY A 1 -1.135 34.707 -11.829 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.049 33.042 -15.486 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.235 33.046 -13.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.731 32.257 -14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.291 35.188 -14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.835 34.373 -14.578 1.00 0.00 H new ATOM 10 N SER A 2 -3.320 34.263 -12.139 1.00 0.00 N ATOM 11 CA SER A 2 -3.650 34.351 -10.721 1.00 0.00 C ATOM 12 C SER A 2 -3.459 33.004 -10.033 1.00 0.00 C ATOM 13 O SER A 2 -3.241 31.986 -10.690 1.00 0.00 O ATOM 14 CB SER A 2 -5.093 34.828 -10.542 1.00 0.00 C ATOM 15 OG SER A 2 -5.403 35.869 -11.452 1.00 0.00 O ATOM 0 H SER A 2 -4.112 34.049 -12.745 1.00 0.00 H new ATOM 0 HA SER A 2 -2.975 35.072 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.777 33.993 -10.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.239 35.178 -9.520 1.00 0.00 H new ATOM 0 HG SER A 2 -6.331 36.155 -11.318 1.00 0.00 H new ATOM 21 N SER A 3 -3.540 33.005 -8.707 1.00 0.00 N ATOM 22 CA SER A 3 -3.376 31.783 -7.929 1.00 0.00 C ATOM 23 C SER A 3 -4.627 31.490 -7.107 1.00 0.00 C ATOM 24 O SER A 3 -5.070 30.344 -7.020 1.00 0.00 O ATOM 25 CB SER A 3 -2.162 31.900 -7.007 1.00 0.00 C ATOM 26 OG SER A 3 -2.123 33.165 -6.369 1.00 0.00 O ATOM 0 H SER A 3 -3.718 33.839 -8.148 1.00 0.00 H new ATOM 0 HA SER A 3 -3.218 30.958 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.196 31.111 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.249 31.752 -7.583 1.00 0.00 H new ATOM 0 HG SER A 3 -1.338 33.212 -5.784 1.00 0.00 H new ATOM 32 N GLY A 4 -5.192 32.531 -6.505 1.00 0.00 N ATOM 33 CA GLY A 4 -6.385 32.363 -5.698 1.00 0.00 C ATOM 34 C GLY A 4 -6.084 32.345 -4.213 1.00 0.00 C ATOM 35 O GLY A 4 -5.632 33.344 -3.652 1.00 0.00 O ATOM 0 H GLY A 4 -4.844 33.488 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.083 33.172 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.880 31.433 -5.976 1.00 0.00 H new ATOM 39 N SER A 5 -6.333 31.207 -3.574 1.00 0.00 N ATOM 40 CA SER A 5 -6.084 31.062 -2.145 1.00 0.00 C ATOM 41 C SER A 5 -5.491 29.692 -1.830 1.00 0.00 C ATOM 42 O SER A 5 -4.505 29.584 -1.102 1.00 0.00 O ATOM 43 CB SER A 5 -7.381 31.262 -1.358 1.00 0.00 C ATOM 44 OG SER A 5 -7.139 31.936 -0.136 1.00 0.00 O ATOM 0 H SER A 5 -6.707 30.371 -4.024 1.00 0.00 H new ATOM 0 HA SER A 5 -5.364 31.825 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.089 31.834 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.841 30.294 -1.158 1.00 0.00 H new ATOM 0 HG SER A 5 -7.984 32.052 0.346 1.00 0.00 H new ATOM 50 N SER A 6 -6.099 28.649 -2.385 1.00 0.00 N ATOM 51 CA SER A 6 -5.632 27.286 -2.165 1.00 0.00 C ATOM 52 C SER A 6 -6.371 26.304 -3.067 1.00 0.00 C ATOM 53 O SER A 6 -7.217 26.701 -3.870 1.00 0.00 O ATOM 54 CB SER A 6 -5.820 26.889 -0.699 1.00 0.00 C ATOM 55 OG SER A 6 -7.165 27.072 -0.290 1.00 0.00 O ATOM 0 H SER A 6 -6.917 28.722 -2.991 1.00 0.00 H new ATOM 0 HA SER A 6 -4.571 27.250 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.533 25.846 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.161 27.487 -0.070 1.00 0.00 H new ATOM 0 HG SER A 6 -7.260 26.810 0.650 1.00 0.00 H new ATOM 61 N GLY A 7 -6.048 25.023 -2.931 1.00 0.00 N ATOM 62 CA GLY A 7 -6.691 24.006 -3.740 1.00 0.00 C ATOM 63 C GLY A 7 -6.233 24.038 -5.186 1.00 0.00 C ATOM 64 O GLY A 7 -6.634 24.916 -5.951 1.00 0.00 O ATOM 0 H GLY A 7 -5.352 24.671 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.481 23.024 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.771 24.145 -3.701 1.00 0.00 H new ATOM 68 N VAL A 8 -5.392 23.080 -5.559 1.00 0.00 N ATOM 69 CA VAL A 8 -4.879 23.002 -6.922 1.00 0.00 C ATOM 70 C VAL A 8 -5.152 21.633 -7.534 1.00 0.00 C ATOM 71 O VAL A 8 -4.797 20.603 -6.961 1.00 0.00 O ATOM 72 CB VAL A 8 -3.364 23.278 -6.969 1.00 0.00 C ATOM 73 CG1 VAL A 8 -3.071 24.719 -6.579 1.00 0.00 C ATOM 74 CG2 VAL A 8 -2.616 22.311 -6.063 1.00 0.00 C ATOM 0 H VAL A 8 -5.051 22.347 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.399 23.767 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.017 23.124 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.996 24.895 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.575 25.393 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.432 24.903 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.548 22.521 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.965 22.430 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.799 21.288 -6.392 1.00 0.00 H new ATOM 84 N THR A 9 -5.785 21.630 -8.703 1.00 0.00 N ATOM 85 CA THR A 9 -6.106 20.385 -9.394 1.00 0.00 C ATOM 86 C THR A 9 -4.935 19.926 -10.257 1.00 0.00 C ATOM 87 O THR A 9 -4.690 20.473 -11.333 1.00 0.00 O ATOM 88 CB THR A 9 -7.357 20.564 -10.259 1.00 0.00 C ATOM 89 OG1 THR A 9 -7.597 21.936 -10.521 1.00 0.00 O ATOM 90 CG2 THR A 9 -8.607 19.990 -9.627 1.00 0.00 C ATOM 0 H THR A 9 -6.085 22.474 -9.191 1.00 0.00 H new ATOM 0 HA THR A 9 -6.301 19.620 -8.642 1.00 0.00 H new ATOM 0 HB THR A 9 -7.151 20.019 -11.180 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.399 22.028 -11.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.457 20.150 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.473 18.921 -9.461 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.793 20.485 -8.674 1.00 0.00 H new ATOM 98 N TYR A 10 -4.214 18.918 -9.778 1.00 0.00 N ATOM 99 CA TYR A 10 -3.068 18.384 -10.505 1.00 0.00 C ATOM 100 C TYR A 10 -3.372 17.004 -11.090 1.00 0.00 C ATOM 101 O TYR A 10 -2.535 16.416 -11.775 1.00 0.00 O ATOM 102 CB TYR A 10 -1.849 18.301 -9.582 1.00 0.00 C ATOM 103 CG TYR A 10 -0.558 18.730 -10.243 1.00 0.00 C ATOM 104 CD1 TYR A 10 -0.252 20.075 -10.406 1.00 0.00 C ATOM 105 CD2 TYR A 10 0.354 17.788 -10.704 1.00 0.00 C ATOM 106 CE1 TYR A 10 0.926 20.471 -11.009 1.00 0.00 C ATOM 107 CE2 TYR A 10 1.535 18.176 -11.307 1.00 0.00 C ATOM 108 CZ TYR A 10 1.816 19.518 -11.458 1.00 0.00 C ATOM 109 OH TYR A 10 2.991 19.908 -12.059 1.00 0.00 O ATOM 0 H TYR A 10 -4.403 18.454 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.852 19.062 -11.331 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.024 18.926 -8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.742 17.276 -9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.947 20.824 -10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.136 16.736 -10.589 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.149 21.521 -11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.235 17.432 -11.658 1.00 0.00 H new ATOM 0 HH TYR A 10 3.506 19.115 -12.316 1.00 0.00 H new ATOM 119 N ASP A 11 -4.570 16.490 -10.819 1.00 0.00 N ATOM 120 CA ASP A 11 -4.971 15.182 -11.324 1.00 0.00 C ATOM 121 C ASP A 11 -4.057 14.087 -10.785 1.00 0.00 C ATOM 122 O ASP A 11 -3.027 13.774 -11.382 1.00 0.00 O ATOM 123 CB ASP A 11 -4.949 15.172 -12.854 1.00 0.00 C ATOM 124 CG ASP A 11 -5.587 13.926 -13.435 1.00 0.00 C ATOM 125 OD1 ASP A 11 -6.649 13.510 -12.925 1.00 0.00 O ATOM 126 OD2 ASP A 11 -5.025 13.365 -14.399 1.00 0.00 O ATOM 0 H ASP A 11 -5.277 16.959 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.987 14.985 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.472 16.052 -13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.918 15.243 -13.200 1.00 0.00 H new ATOM 131 N ASP A 12 -4.440 13.508 -9.652 1.00 0.00 N ATOM 132 CA ASP A 12 -3.655 12.448 -9.031 1.00 0.00 C ATOM 133 C ASP A 12 -4.562 11.427 -8.351 1.00 0.00 C ATOM 134 O ASP A 12 -4.187 10.819 -7.348 1.00 0.00 O ATOM 135 CB ASP A 12 -2.678 13.037 -8.011 1.00 0.00 C ATOM 136 CG ASP A 12 -1.329 13.358 -8.623 1.00 0.00 C ATOM 137 OD1 ASP A 12 -1.248 14.323 -9.413 1.00 0.00 O ATOM 138 OD2 ASP A 12 -0.351 12.645 -8.312 1.00 0.00 O ATOM 0 H ASP A 12 -5.290 13.755 -9.145 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.090 11.943 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.106 13.944 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.544 12.331 -7.191 1.00 0.00 H new ATOM 143 N VAL A 13 -5.755 11.242 -8.905 1.00 0.00 N ATOM 144 CA VAL A 13 -6.716 10.293 -8.353 1.00 0.00 C ATOM 145 C VAL A 13 -7.110 9.244 -9.390 1.00 0.00 C ATOM 146 O VAL A 13 -8.273 9.151 -9.784 1.00 0.00 O ATOM 147 CB VAL A 13 -7.984 11.009 -7.849 1.00 0.00 C ATOM 148 CG1 VAL A 13 -7.670 11.848 -6.620 1.00 0.00 C ATOM 149 CG2 VAL A 13 -8.590 11.866 -8.950 1.00 0.00 C ATOM 0 H VAL A 13 -6.080 11.736 -9.736 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.229 9.800 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.717 10.253 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.577 12.346 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.289 11.204 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.918 12.596 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.484 12.363 -8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.865 12.615 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.855 11.235 -9.798 1.00 0.00 H new ATOM 159 N HIS A 14 -6.132 8.458 -9.828 1.00 0.00 N ATOM 160 CA HIS A 14 -6.377 7.416 -10.819 1.00 0.00 C ATOM 161 C HIS A 14 -6.381 6.033 -10.174 1.00 0.00 C ATOM 162 O HIS A 14 -6.938 5.082 -10.725 1.00 0.00 O ATOM 163 CB HIS A 14 -5.317 7.473 -11.921 1.00 0.00 C ATOM 164 CG HIS A 14 -5.499 8.620 -12.866 1.00 0.00 C ATOM 165 ND1 HIS A 14 -5.225 8.535 -14.215 1.00 0.00 N ATOM 166 CD2 HIS A 14 -5.931 9.886 -12.652 1.00 0.00 C ATOM 167 CE1 HIS A 14 -5.480 9.698 -14.789 1.00 0.00 C ATOM 168 NE2 HIS A 14 -5.909 10.534 -13.862 1.00 0.00 N ATOM 0 H HIS A 14 -5.164 8.522 -9.513 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.360 7.593 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.331 7.544 -11.462 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.340 6.541 -12.485 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.879 7.704 -14.695 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.236 10.307 -11.705 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.358 9.925 -15.838 1.00 0.00 H new ATOM 176 N MET A 15 -5.760 5.927 -9.005 1.00 0.00 N ATOM 177 CA MET A 15 -5.694 4.660 -8.286 1.00 0.00 C ATOM 178 C MET A 15 -5.944 4.867 -6.795 1.00 0.00 C ATOM 179 O MET A 15 -5.414 4.134 -5.960 1.00 0.00 O ATOM 180 CB MET A 15 -4.331 3.999 -8.498 1.00 0.00 C ATOM 181 CG MET A 15 -4.126 3.464 -9.907 1.00 0.00 C ATOM 182 SD MET A 15 -3.163 1.941 -9.937 1.00 0.00 S ATOM 183 CE MET A 15 -4.421 0.754 -10.403 1.00 0.00 C ATOM 0 H MET A 15 -5.295 6.703 -8.535 1.00 0.00 H new ATOM 0 HA MET A 15 -6.472 4.007 -8.680 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.547 4.723 -8.276 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.219 3.180 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.097 3.285 -10.368 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.622 4.220 -10.509 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.997 0.027 -11.095 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.783 0.239 -9.513 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.250 1.273 -10.885 1.00 0.00 H new ATOM 193 N ASN A 16 -6.755 5.868 -6.469 1.00 0.00 N ATOM 194 CA ASN A 16 -7.075 6.171 -5.078 1.00 0.00 C ATOM 195 C ASN A 16 -8.551 5.912 -4.793 1.00 0.00 C ATOM 196 O ASN A 16 -9.351 6.845 -4.706 1.00 0.00 O ATOM 197 CB ASN A 16 -6.729 7.626 -4.759 1.00 0.00 C ATOM 198 CG ASN A 16 -5.243 7.832 -4.538 1.00 0.00 C ATOM 199 OD1 ASN A 16 -4.436 6.935 -4.787 1.00 0.00 O ATOM 200 ND2 ASN A 16 -4.873 9.017 -4.067 1.00 0.00 N ATOM 0 H ASN A 16 -7.203 6.483 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.480 5.516 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.064 8.264 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.273 7.939 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.886 9.213 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.575 9.731 -3.875 1.00 0.00 H new ATOM 207 N PHE A 17 -8.906 4.640 -4.645 1.00 0.00 N ATOM 208 CA PHE A 17 -10.286 4.258 -4.369 1.00 0.00 C ATOM 209 C PHE A 17 -10.512 4.080 -2.871 1.00 0.00 C ATOM 210 O PHE A 17 -10.018 3.128 -2.269 1.00 0.00 O ATOM 211 CB PHE A 17 -10.638 2.966 -5.107 1.00 0.00 C ATOM 212 CG PHE A 17 -10.293 2.997 -6.568 1.00 0.00 C ATOM 213 CD1 PHE A 17 -11.126 3.630 -7.477 1.00 0.00 C ATOM 214 CD2 PHE A 17 -9.135 2.393 -7.034 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.812 3.660 -8.822 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.816 2.420 -8.377 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.655 3.054 -9.273 1.00 0.00 C ATOM 0 H PHE A 17 -8.257 3.856 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.936 5.058 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.115 2.134 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.705 2.774 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.031 4.105 -7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.475 1.896 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.470 4.156 -9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.911 1.946 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.407 3.076 -10.324 1.00 0.00 H new ATOM 227 N THR A 18 -11.262 5.001 -2.277 1.00 0.00 N ATOM 228 CA THR A 18 -11.554 4.945 -0.850 1.00 0.00 C ATOM 229 C THR A 18 -12.318 3.671 -0.502 1.00 0.00 C ATOM 230 O THR A 18 -12.548 2.820 -1.361 1.00 0.00 O ATOM 231 CB THR A 18 -12.362 6.172 -0.424 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.582 6.244 -1.140 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.626 7.477 -0.637 1.00 0.00 C ATOM 0 H THR A 18 -11.679 5.796 -2.762 1.00 0.00 H new ATOM 0 HA THR A 18 -10.607 4.939 -0.310 1.00 0.00 H new ATOM 0 HB THR A 18 -12.539 6.044 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.084 7.034 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.255 8.306 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.704 7.474 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.388 7.592 -1.694 1.00 0.00 H new ATOM 241 N GLU A 19 -12.710 3.547 0.762 1.00 0.00 N ATOM 242 CA GLU A 19 -13.448 2.377 1.224 1.00 0.00 C ATOM 243 C GLU A 19 -14.725 2.181 0.412 1.00 0.00 C ATOM 244 O GLU A 19 -15.094 1.054 0.080 1.00 0.00 O ATOM 245 CB GLU A 19 -13.792 2.519 2.709 1.00 0.00 C ATOM 246 CG GLU A 19 -14.128 1.201 3.385 1.00 0.00 C ATOM 247 CD GLU A 19 -14.460 1.368 4.854 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.173 2.334 5.196 1.00 0.00 O ATOM 249 OE2 GLU A 19 -14.005 0.532 5.663 1.00 0.00 O ATOM 0 H GLU A 19 -12.529 4.243 1.485 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.814 1.502 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.949 2.978 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.639 3.198 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.974 0.741 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.284 0.519 3.282 1.00 0.00 H new ATOM 256 N GLU A 20 -15.395 3.284 0.095 1.00 0.00 N ATOM 257 CA GLU A 20 -16.629 3.232 -0.680 1.00 0.00 C ATOM 258 C GLU A 20 -16.377 2.646 -2.066 1.00 0.00 C ATOM 259 O GLU A 20 -16.990 1.652 -2.452 1.00 0.00 O ATOM 260 CB GLU A 20 -17.236 4.632 -0.805 1.00 0.00 C ATOM 261 CG GLU A 20 -18.451 4.849 0.084 1.00 0.00 C ATOM 262 CD GLU A 20 -19.146 6.167 -0.191 1.00 0.00 C ATOM 263 OE1 GLU A 20 -18.558 7.224 0.121 1.00 0.00 O ATOM 264 OE2 GLU A 20 -20.278 6.144 -0.717 1.00 0.00 O ATOM 0 H GLU A 20 -15.104 4.224 0.363 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.332 2.585 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.476 5.372 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.520 4.805 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.157 4.032 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.143 4.816 1.129 1.00 0.00 H new ATOM 271 N GLU A 21 -15.469 3.269 -2.809 1.00 0.00 N ATOM 272 CA GLU A 21 -15.134 2.810 -4.152 1.00 0.00 C ATOM 273 C GLU A 21 -14.492 1.427 -4.110 1.00 0.00 C ATOM 274 O GLU A 21 -14.704 0.606 -5.002 1.00 0.00 O ATOM 275 CB GLU A 21 -14.190 3.803 -4.833 1.00 0.00 C ATOM 276 CG GLU A 21 -14.909 4.950 -5.521 1.00 0.00 C ATOM 277 CD GLU A 21 -13.998 5.743 -6.439 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.086 6.424 -5.924 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.197 5.684 -7.670 1.00 0.00 O ATOM 0 H GLU A 21 -14.952 4.093 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.058 2.745 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.504 4.209 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.585 3.271 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.746 4.556 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.328 5.616 -4.767 1.00 0.00 H new ATOM 286 N TRP A 22 -13.707 1.175 -3.065 1.00 0.00 N ATOM 287 CA TRP A 22 -13.031 -0.109 -2.903 1.00 0.00 C ATOM 288 C TRP A 22 -14.018 -1.269 -3.022 1.00 0.00 C ATOM 289 O TRP A 22 -13.645 -2.374 -3.417 1.00 0.00 O ATOM 290 CB TRP A 22 -12.323 -0.166 -1.549 1.00 0.00 C ATOM 291 CG TRP A 22 -11.397 -1.337 -1.408 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.571 -2.429 -0.609 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.150 -1.529 -2.086 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.510 -3.289 -0.747 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.623 -2.760 -1.650 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.428 -0.782 -3.021 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.409 -3.258 -2.115 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.224 -1.278 -3.483 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.724 -2.505 -3.030 1.00 0.00 C ATOM 0 H TRP A 22 -13.524 1.844 -2.317 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.293 -0.204 -3.699 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.757 0.754 -1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.072 -0.207 -0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.420 -2.593 0.038 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.399 -4.177 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.804 0.166 -3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.022 -4.204 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.659 -0.709 -4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.779 -2.864 -3.410 1.00 0.00 H new ATOM 310 N ASP A 23 -15.275 -1.011 -2.678 1.00 0.00 N ATOM 311 CA ASP A 23 -16.312 -2.035 -2.747 1.00 0.00 C ATOM 312 C ASP A 23 -16.875 -2.149 -4.160 1.00 0.00 C ATOM 313 O ASP A 23 -17.365 -3.206 -4.558 1.00 0.00 O ATOM 314 CB ASP A 23 -17.438 -1.715 -1.761 1.00 0.00 C ATOM 315 CG ASP A 23 -17.221 -2.362 -0.407 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.050 -2.507 0.001 1.00 0.00 O ATOM 317 OD2 ASP A 23 -18.223 -2.726 0.244 1.00 0.00 O ATOM 0 H ASP A 23 -15.601 -0.102 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.862 -2.991 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.513 -0.635 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.387 -2.055 -2.175 1.00 0.00 H new ATOM 322 N LEU A 24 -16.805 -1.056 -4.914 1.00 0.00 N ATOM 323 CA LEU A 24 -17.312 -1.039 -6.282 1.00 0.00 C ATOM 324 C LEU A 24 -16.194 -1.301 -7.289 1.00 0.00 C ATOM 325 O LEU A 24 -16.321 -0.975 -8.469 1.00 0.00 O ATOM 326 CB LEU A 24 -17.978 0.305 -6.586 1.00 0.00 C ATOM 327 CG LEU A 24 -18.814 0.887 -5.443 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.824 2.406 -5.510 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.233 0.340 -5.489 1.00 0.00 C ATOM 0 H LEU A 24 -16.403 -0.172 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.050 -1.836 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.204 1.025 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.618 0.187 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.361 0.588 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.423 2.802 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.804 2.781 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.253 2.725 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.813 0.764 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.696 0.609 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.208 -0.745 -5.392 1.00 0.00 H new ATOM 341 N LEU A 25 -15.099 -1.892 -6.818 1.00 0.00 N ATOM 342 CA LEU A 25 -13.964 -2.197 -7.683 1.00 0.00 C ATOM 343 C LEU A 25 -14.022 -3.643 -8.165 1.00 0.00 C ATOM 344 O LEU A 25 -14.917 -4.398 -7.788 1.00 0.00 O ATOM 345 CB LEU A 25 -12.648 -1.948 -6.943 1.00 0.00 C ATOM 346 CG LEU A 25 -12.225 -0.481 -6.846 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.863 -0.362 -6.178 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.202 0.160 -8.225 1.00 0.00 C ATOM 0 H LEU A 25 -14.974 -2.169 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.014 -1.539 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.734 -2.352 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.857 -2.506 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.955 0.048 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.578 0.688 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.912 -0.783 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.122 -0.906 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.899 1.203 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.494 -0.371 -8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.197 0.108 -8.667 1.00 0.00 H new ATOM 360 N ASP A 26 -13.059 -4.020 -9.000 1.00 0.00 N ATOM 361 CA ASP A 26 -12.999 -5.376 -9.533 1.00 0.00 C ATOM 362 C ASP A 26 -11.858 -6.161 -8.894 1.00 0.00 C ATOM 363 O ASP A 26 -11.136 -5.643 -8.043 1.00 0.00 O ATOM 364 CB ASP A 26 -12.823 -5.343 -11.052 1.00 0.00 C ATOM 365 CG ASP A 26 -14.059 -4.834 -11.766 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.177 -5.232 -11.377 1.00 0.00 O ATOM 367 OD2 ASP A 26 -13.910 -4.036 -12.716 1.00 0.00 O ATOM 0 H ASP A 26 -12.310 -3.406 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.938 -5.875 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.974 -4.707 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.587 -6.345 -11.410 1.00 0.00 H new ATOM 372 N SER A 27 -11.701 -7.413 -9.310 1.00 0.00 N ATOM 373 CA SER A 27 -10.647 -8.269 -8.777 1.00 0.00 C ATOM 374 C SER A 27 -9.271 -7.757 -9.189 1.00 0.00 C ATOM 375 O SER A 27 -8.292 -7.925 -8.462 1.00 0.00 O ATOM 376 CB SER A 27 -10.836 -9.707 -9.262 1.00 0.00 C ATOM 377 OG SER A 27 -10.082 -10.614 -8.476 1.00 0.00 O ATOM 0 H SER A 27 -12.290 -7.858 -10.014 1.00 0.00 H new ATOM 0 HA SER A 27 -10.711 -8.249 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.892 -9.973 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.531 -9.785 -10.306 1.00 0.00 H new ATOM 0 HG SER A 27 -10.221 -11.526 -8.805 1.00 0.00 H new ATOM 383 N SER A 28 -9.202 -7.133 -10.361 1.00 0.00 N ATOM 384 CA SER A 28 -7.944 -6.597 -10.869 1.00 0.00 C ATOM 385 C SER A 28 -7.590 -5.288 -10.172 1.00 0.00 C ATOM 386 O SER A 28 -6.428 -5.042 -9.846 1.00 0.00 O ATOM 387 CB SER A 28 -8.034 -6.376 -12.380 1.00 0.00 C ATOM 388 OG SER A 28 -6.769 -6.544 -12.996 1.00 0.00 O ATOM 0 H SER A 28 -10.002 -6.986 -10.976 1.00 0.00 H new ATOM 0 HA SER A 28 -7.158 -7.322 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.748 -7.077 -12.811 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.410 -5.373 -12.582 1.00 0.00 H new ATOM 0 HG SER A 28 -6.854 -6.399 -13.962 1.00 0.00 H new ATOM 394 N GLN A 29 -8.597 -4.451 -9.945 1.00 0.00 N ATOM 395 CA GLN A 29 -8.390 -3.167 -9.286 1.00 0.00 C ATOM 396 C GLN A 29 -7.984 -3.364 -7.829 1.00 0.00 C ATOM 397 O GLN A 29 -7.045 -2.733 -7.345 1.00 0.00 O ATOM 398 CB GLN A 29 -9.663 -2.321 -9.358 1.00 0.00 C ATOM 399 CG GLN A 29 -10.243 -2.207 -10.759 1.00 0.00 C ATOM 400 CD GLN A 29 -9.600 -1.098 -11.568 1.00 0.00 C ATOM 401 OE1 GLN A 29 -8.771 -1.350 -12.441 1.00 0.00 O ATOM 402 NE2 GLN A 29 -9.982 0.141 -11.278 1.00 0.00 N ATOM 0 H GLN A 29 -9.564 -4.639 -10.208 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.585 -2.647 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.414 -2.754 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.446 -1.321 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.112 -3.155 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.316 -2.027 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.673 0.303 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.584 0.930 -11.788 1.00 0.00 H new ATOM 411 N LYS A 30 -8.700 -4.243 -7.137 1.00 0.00 N ATOM 412 CA LYS A 30 -8.419 -4.527 -5.736 1.00 0.00 C ATOM 413 C LYS A 30 -7.014 -5.096 -5.563 1.00 0.00 C ATOM 414 O LYS A 30 -6.399 -4.946 -4.506 1.00 0.00 O ATOM 415 CB LYS A 30 -9.454 -5.509 -5.186 1.00 0.00 C ATOM 416 CG LYS A 30 -10.570 -4.840 -4.398 1.00 0.00 C ATOM 417 CD LYS A 30 -11.497 -5.864 -3.767 1.00 0.00 C ATOM 418 CE LYS A 30 -12.576 -5.197 -2.928 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.920 -5.999 -1.722 1.00 0.00 N ATOM 0 H LYS A 30 -9.481 -4.772 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.477 -3.592 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.890 -6.067 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.951 -6.233 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.140 -4.209 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.142 -4.188 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.962 -6.465 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.918 -6.545 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.237 -4.208 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.470 -5.053 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.659 -5.509 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.268 -6.934 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.073 -6.115 -1.129 1.00 0.00 H new ATOM 433 N ARG A 31 -6.509 -5.749 -6.605 1.00 0.00 N ATOM 434 CA ARG A 31 -5.176 -6.341 -6.564 1.00 0.00 C ATOM 435 C ARG A 31 -4.120 -5.344 -7.031 1.00 0.00 C ATOM 436 O ARG A 31 -3.010 -5.309 -6.501 1.00 0.00 O ATOM 437 CB ARG A 31 -5.127 -7.598 -7.434 1.00 0.00 C ATOM 438 CG ARG A 31 -3.843 -8.395 -7.277 1.00 0.00 C ATOM 439 CD ARG A 31 -3.725 -9.475 -8.341 1.00 0.00 C ATOM 440 NE ARG A 31 -2.399 -10.089 -8.354 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.132 -11.267 -8.913 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.095 -11.960 -9.508 1.00 0.00 N ATOM 443 NH2 ARG A 31 -0.899 -11.753 -8.879 1.00 0.00 N ATOM 0 H ARG A 31 -7.002 -5.882 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.959 -6.613 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.974 -8.236 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.242 -7.311 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.987 -7.724 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.816 -8.852 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.478 -10.243 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.934 -9.044 -9.320 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.633 -9.585 -7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.045 -11.590 -9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.885 -12.862 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.155 -11.224 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.695 -12.656 -9.307 1.00 0.00 H new ATOM 457 N LEU A 32 -4.472 -4.537 -8.026 1.00 0.00 N ATOM 458 CA LEU A 32 -3.552 -3.543 -8.564 1.00 0.00 C ATOM 459 C LEU A 32 -3.199 -2.500 -7.511 1.00 0.00 C ATOM 460 O LEU A 32 -2.051 -2.068 -7.408 1.00 0.00 O ATOM 461 CB LEU A 32 -4.167 -2.863 -9.788 1.00 0.00 C ATOM 462 CG LEU A 32 -4.010 -3.635 -11.098 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.171 -3.339 -12.035 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.685 -3.291 -11.763 1.00 0.00 C ATOM 0 H LEU A 32 -5.387 -4.552 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.636 -4.054 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.229 -2.703 -9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.713 -1.879 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.015 -4.701 -10.872 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.042 -3.897 -12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.106 -3.635 -11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.198 -2.272 -12.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.590 -3.849 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.651 -2.222 -11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.864 -3.555 -11.096 1.00 0.00 H new ATOM 476 N TYR A 33 -4.195 -2.103 -6.728 1.00 0.00 N ATOM 477 CA TYR A 33 -3.991 -1.114 -5.676 1.00 0.00 C ATOM 478 C TYR A 33 -3.061 -1.657 -4.598 1.00 0.00 C ATOM 479 O TYR A 33 -2.356 -0.898 -3.932 1.00 0.00 O ATOM 480 CB TYR A 33 -5.331 -0.718 -5.056 1.00 0.00 C ATOM 481 CG TYR A 33 -5.222 0.389 -4.031 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.935 0.102 -2.701 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.406 1.717 -4.392 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.835 1.110 -1.762 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.308 2.731 -3.457 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.022 2.422 -2.144 1.00 0.00 C ATOM 487 OH TYR A 33 -4.924 3.428 -1.210 1.00 0.00 O ATOM 0 H TYR A 33 -5.151 -2.450 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.529 -0.233 -6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.009 -0.402 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.777 -1.594 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.788 -0.924 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.629 1.962 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.611 0.872 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.455 3.759 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.082 4.293 -1.643 1.00 0.00 H new ATOM 497 N GLU A 34 -3.064 -2.975 -4.432 1.00 0.00 N ATOM 498 CA GLU A 34 -2.220 -3.623 -3.434 1.00 0.00 C ATOM 499 C GLU A 34 -0.764 -3.653 -3.889 1.00 0.00 C ATOM 500 O GLU A 34 0.153 -3.651 -3.067 1.00 0.00 O ATOM 501 CB GLU A 34 -2.716 -5.045 -3.163 1.00 0.00 C ATOM 502 CG GLU A 34 -3.379 -5.209 -1.805 1.00 0.00 C ATOM 503 CD GLU A 34 -2.882 -6.430 -1.057 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.210 -7.560 -1.479 1.00 0.00 O ATOM 505 OE2 GLU A 34 -2.165 -6.258 -0.049 1.00 0.00 O ATOM 0 H GLU A 34 -3.642 -3.616 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.279 -3.045 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.425 -5.328 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.874 -5.734 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.193 -4.319 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.458 -5.284 -1.938 1.00 0.00 H new ATOM 512 N GLU A 35 -0.558 -3.681 -5.202 1.00 0.00 N ATOM 513 CA GLU A 35 0.788 -3.713 -5.765 1.00 0.00 C ATOM 514 C GLU A 35 1.599 -2.504 -5.307 1.00 0.00 C ATOM 515 O GLU A 35 2.720 -2.646 -4.818 1.00 0.00 O ATOM 516 CB GLU A 35 0.723 -3.752 -7.293 1.00 0.00 C ATOM 517 CG GLU A 35 0.826 -5.155 -7.870 1.00 0.00 C ATOM 518 CD GLU A 35 1.772 -5.232 -9.053 1.00 0.00 C ATOM 519 OE1 GLU A 35 1.594 -4.446 -10.007 1.00 0.00 O ATOM 520 OE2 GLU A 35 2.690 -6.079 -9.024 1.00 0.00 O ATOM 0 H GLU A 35 -1.305 -3.682 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 35 1.284 -4.615 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.214 -3.301 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.529 -3.141 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.166 -5.839 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.164 -5.490 -8.179 1.00 0.00 H new ATOM 527 N VAL A 36 1.026 -1.316 -5.468 1.00 0.00 N ATOM 528 CA VAL A 36 1.696 -0.084 -5.069 1.00 0.00 C ATOM 529 C VAL A 36 1.943 -0.057 -3.565 1.00 0.00 C ATOM 530 O VAL A 36 2.942 0.489 -3.098 1.00 0.00 O ATOM 531 CB VAL A 36 0.875 1.157 -5.464 1.00 0.00 C ATOM 532 CG1 VAL A 36 0.832 1.311 -6.976 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.531 1.074 -4.889 1.00 0.00 C ATOM 0 H VAL A 36 0.099 -1.180 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 36 2.651 -0.060 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 36 1.362 2.038 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.247 2.194 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.846 1.422 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.372 0.428 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.096 1.960 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.029 0.184 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.477 1.018 -3.802 1.00 0.00 H new ATOM 543 N MET A 37 1.025 -0.652 -2.811 1.00 0.00 N ATOM 544 CA MET A 37 1.140 -0.699 -1.357 1.00 0.00 C ATOM 545 C MET A 37 2.149 -1.758 -0.917 1.00 0.00 C ATOM 546 O MET A 37 2.625 -1.738 0.217 1.00 0.00 O ATOM 547 CB MET A 37 -0.224 -0.986 -0.727 1.00 0.00 C ATOM 548 CG MET A 37 -1.018 0.268 -0.397 1.00 0.00 C ATOM 549 SD MET A 37 -0.462 1.060 1.124 1.00 0.00 S ATOM 550 CE MET A 37 -0.954 -0.159 2.341 1.00 0.00 C ATOM 0 H MET A 37 0.192 -1.109 -3.183 1.00 0.00 H new ATOM 0 HA MET A 37 1.495 0.274 -1.017 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.806 -1.606 -1.409 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.079 -1.565 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.933 0.975 -1.222 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.073 0.011 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.081 0.325 3.310 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.896 -0.616 2.038 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.185 -0.928 2.417 1.00 0.00 H new ATOM 560 N LEU A 38 2.471 -2.683 -1.818 1.00 0.00 N ATOM 561 CA LEU A 38 3.421 -3.747 -1.512 1.00 0.00 C ATOM 562 C LEU A 38 4.857 -3.248 -1.634 1.00 0.00 C ATOM 563 O LEU A 38 5.747 -3.711 -0.920 1.00 0.00 O ATOM 564 CB LEU A 38 3.202 -4.938 -2.447 1.00 0.00 C ATOM 565 CG LEU A 38 2.099 -5.905 -2.014 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.008 -7.077 -2.978 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.349 -6.396 -0.596 1.00 0.00 C ATOM 0 H LEU A 38 2.089 -2.717 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 38 3.253 -4.065 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.964 -4.561 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.137 -5.491 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 38 1.148 -5.373 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.218 -7.754 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.782 -6.708 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.959 -7.610 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.555 -7.083 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.309 -6.911 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.363 -5.546 0.086 1.00 0.00 H new ATOM 579 N GLU A 39 5.078 -2.302 -2.541 1.00 0.00 N ATOM 580 CA GLU A 39 6.409 -1.743 -2.753 1.00 0.00 C ATOM 581 C GLU A 39 6.754 -0.735 -1.660 1.00 0.00 C ATOM 582 O GLU A 39 7.834 -0.790 -1.071 1.00 0.00 O ATOM 583 CB GLU A 39 6.492 -1.077 -4.129 1.00 0.00 C ATOM 584 CG GLU A 39 7.350 -1.843 -5.123 1.00 0.00 C ATOM 585 CD GLU A 39 6.794 -1.791 -6.533 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.123 -0.794 -6.871 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.030 -2.750 -7.298 1.00 0.00 O ATOM 0 H GLU A 39 4.354 -1.907 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 39 7.132 -2.558 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.486 -0.973 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.895 -0.071 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.359 -1.432 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.428 -2.883 -4.805 1.00 0.00 H new ATOM 594 N THR A 40 5.831 0.184 -1.395 1.00 0.00 N ATOM 595 CA THR A 40 6.039 1.202 -0.374 1.00 0.00 C ATOM 596 C THR A 40 5.533 0.722 0.983 1.00 0.00 C ATOM 597 O THR A 40 4.619 1.311 1.562 1.00 0.00 O ATOM 598 CB THR A 40 5.332 2.500 -0.768 1.00 0.00 C ATOM 599 OG1 THR A 40 5.225 2.606 -2.176 1.00 0.00 O ATOM 600 CG2 THR A 40 6.038 3.742 -0.266 1.00 0.00 C ATOM 0 H THR A 40 4.932 0.244 -1.874 1.00 0.00 H new ATOM 0 HA THR A 40 7.110 1.390 -0.295 1.00 0.00 H new ATOM 0 HB THR A 40 4.349 2.446 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.769 3.442 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.485 4.627 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.092 3.715 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.046 3.779 -0.679 1.00 0.00 H new ATOM 608 N TYR A 41 6.134 -0.351 1.486 1.00 0.00 N ATOM 609 CA TYR A 41 5.745 -0.911 2.776 1.00 0.00 C ATOM 610 C TYR A 41 6.655 -2.074 3.159 1.00 0.00 C ATOM 611 O TYR A 41 7.292 -2.057 4.213 1.00 0.00 O ATOM 612 CB TYR A 41 4.289 -1.376 2.734 1.00 0.00 C ATOM 613 CG TYR A 41 3.514 -1.059 3.993 1.00 0.00 C ATOM 614 CD1 TYR A 41 4.005 -1.419 5.243 1.00 0.00 C ATOM 615 CD2 TYR A 41 2.294 -0.399 3.933 1.00 0.00 C ATOM 616 CE1 TYR A 41 3.300 -1.130 6.395 1.00 0.00 C ATOM 617 CE2 TYR A 41 1.583 -0.106 5.081 1.00 0.00 C ATOM 618 CZ TYR A 41 2.090 -0.474 6.309 1.00 0.00 C ATOM 619 OH TYR A 41 1.386 -0.184 7.455 1.00 0.00 O ATOM 0 H TYR A 41 6.892 -0.850 1.021 1.00 0.00 H new ATOM 0 HA TYR A 41 5.847 -0.131 3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.792 -0.908 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.265 -2.452 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.952 -1.933 5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.894 -0.110 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.695 -1.416 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.636 0.408 5.017 1.00 0.00 H new ATOM 0 HH TYR A 41 0.556 0.281 7.220 1.00 0.00 H new ATOM 629 N GLN A 42 6.711 -3.083 2.297 1.00 0.00 N ATOM 630 CA GLN A 42 7.543 -4.255 2.544 1.00 0.00 C ATOM 631 C GLN A 42 9.026 -3.906 2.443 1.00 0.00 C ATOM 632 O GLN A 42 9.874 -4.595 3.010 1.00 0.00 O ATOM 633 CB GLN A 42 7.199 -5.369 1.552 1.00 0.00 C ATOM 634 CG GLN A 42 6.274 -6.431 2.127 1.00 0.00 C ATOM 635 CD GLN A 42 5.338 -7.015 1.087 1.00 0.00 C ATOM 636 OE1 GLN A 42 5.608 -6.953 -0.112 1.00 0.00 O ATOM 637 NE2 GLN A 42 4.229 -7.586 1.543 1.00 0.00 N ATOM 0 H GLN A 42 6.190 -3.113 1.421 1.00 0.00 H new ATOM 0 HA GLN A 42 7.341 -4.604 3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.730 -4.929 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.121 -5.844 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.872 -7.231 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.687 -5.996 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.045 -7.615 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.561 -7.996 0.890 1.00 0.00 H new ATOM 646 N ASN A 43 9.333 -2.834 1.718 1.00 0.00 N ATOM 647 CA ASN A 43 10.714 -2.399 1.544 1.00 0.00 C ATOM 648 C ASN A 43 11.060 -1.272 2.513 1.00 0.00 C ATOM 649 O ASN A 43 11.922 -0.441 2.229 1.00 0.00 O ATOM 650 CB ASN A 43 10.949 -1.940 0.104 1.00 0.00 C ATOM 651 CG ASN A 43 10.763 -3.060 -0.899 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.724 -3.527 -1.512 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.522 -3.500 -1.072 1.00 0.00 N ATOM 0 H ASN A 43 8.644 -2.251 1.242 1.00 0.00 H new ATOM 0 HA ASN A 43 11.364 -3.248 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.262 -1.128 -0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.959 -1.540 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.336 -4.254 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.755 -3.084 -0.543 1.00 0.00 H new ATOM 660 N LEU A 44 10.384 -1.251 3.658 1.00 0.00 N ATOM 661 CA LEU A 44 10.625 -0.224 4.666 1.00 0.00 C ATOM 662 C LEU A 44 11.354 -0.806 5.872 1.00 0.00 C ATOM 663 O LEU A 44 11.164 -0.356 7.002 1.00 0.00 O ATOM 664 CB LEU A 44 9.304 0.406 5.113 1.00 0.00 C ATOM 665 CG LEU A 44 8.404 0.906 3.980 1.00 0.00 C ATOM 666 CD1 LEU A 44 7.210 1.664 4.542 1.00 0.00 C ATOM 667 CD2 LEU A 44 9.190 1.786 3.020 1.00 0.00 C ATOM 0 H LEU A 44 9.667 -1.931 3.910 1.00 0.00 H new ATOM 0 HA LEU A 44 11.253 0.546 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.750 -0.328 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.525 1.242 5.776 1.00 0.00 H new ATOM 0 HG LEU A 44 8.035 0.041 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.581 2.012 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.631 1.004 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.561 2.520 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.533 2.131 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.590 2.645 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.012 1.213 2.591 1.00 0.00 H new ATOM 679 N THR A 45 12.189 -1.810 5.625 1.00 0.00 N ATOM 680 CA THR A 45 12.948 -2.454 6.691 1.00 0.00 C ATOM 681 C THR A 45 13.898 -1.469 7.366 1.00 0.00 C ATOM 682 O THR A 45 14.362 -1.707 8.482 1.00 0.00 O ATOM 683 CB THR A 45 13.736 -3.642 6.138 1.00 0.00 C ATOM 684 OG1 THR A 45 13.071 -4.211 5.024 1.00 0.00 O ATOM 685 CG2 THR A 45 13.952 -4.743 7.155 1.00 0.00 C ATOM 0 H THR A 45 12.357 -2.195 4.696 1.00 0.00 H new ATOM 0 HA THR A 45 12.239 -2.810 7.438 1.00 0.00 H new ATOM 0 HB THR A 45 14.707 -3.236 5.853 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.592 -4.968 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.517 -5.555 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.507 -4.349 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.987 -5.119 7.495 1.00 0.00 H new ATOM 693 N ASP A 46 14.184 -0.362 6.688 1.00 0.00 N ATOM 694 CA ASP A 46 15.080 0.654 7.229 1.00 0.00 C ATOM 695 C ASP A 46 14.308 1.894 7.678 1.00 0.00 C ATOM 696 O ASP A 46 14.904 2.926 7.989 1.00 0.00 O ATOM 697 CB ASP A 46 16.127 1.046 6.184 1.00 0.00 C ATOM 698 CG ASP A 46 17.292 1.804 6.788 1.00 0.00 C ATOM 699 OD1 ASP A 46 17.691 1.473 7.925 1.00 0.00 O ATOM 700 OD2 ASP A 46 17.805 2.731 6.126 1.00 0.00 O ATOM 0 H ASP A 46 13.809 -0.146 5.764 1.00 0.00 H new ATOM 0 HA ASP A 46 15.579 0.229 8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.498 0.147 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.657 1.660 5.416 1.00 0.00 H new ATOM 705 N ILE A 47 12.980 1.791 7.714 1.00 0.00 N ATOM 706 CA ILE A 47 12.133 2.905 8.129 1.00 0.00 C ATOM 707 C ILE A 47 12.545 4.205 7.439 1.00 0.00 C ATOM 708 O ILE A 47 13.184 5.066 8.043 1.00 0.00 O ATOM 709 CB ILE A 47 12.187 3.104 9.656 1.00 0.00 C ATOM 710 CG1 ILE A 47 11.834 1.799 10.373 1.00 0.00 C ATOM 711 CG2 ILE A 47 11.245 4.220 10.085 1.00 0.00 C ATOM 712 CD1 ILE A 47 13.013 0.867 10.548 1.00 0.00 C ATOM 0 H ILE A 47 12.468 0.946 7.460 1.00 0.00 H new ATOM 0 HA ILE A 47 11.113 2.656 7.835 1.00 0.00 H new ATOM 0 HB ILE A 47 13.202 3.389 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.418 2.033 11.353 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.055 1.284 9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.298 4.345 11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.537 5.150 9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.225 3.965 9.798 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.689 -0.037 11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.416 0.603 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.785 1.363 11.136 1.00 0.00 H new ATOM 724 N GLY A 48 12.174 4.338 6.169 1.00 0.00 N ATOM 725 CA GLY A 48 12.513 5.533 5.420 1.00 0.00 C ATOM 726 C GLY A 48 12.310 5.361 3.927 1.00 0.00 C ATOM 727 O GLY A 48 11.496 6.057 3.321 1.00 0.00 O ATOM 0 H GLY A 48 11.645 3.640 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.902 6.364 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.553 5.796 5.614 1.00 0.00 H new ATOM 731 N TYR A 49 13.054 4.433 3.333 1.00 0.00 N ATOM 732 CA TYR A 49 12.953 4.173 1.902 1.00 0.00 C ATOM 733 C TYR A 49 13.337 5.410 1.097 1.00 0.00 C ATOM 734 O TYR A 49 12.479 6.086 0.528 1.00 0.00 O ATOM 735 CB TYR A 49 11.533 3.733 1.541 1.00 0.00 C ATOM 736 CG TYR A 49 11.392 3.253 0.113 1.00 0.00 C ATOM 737 CD1 TYR A 49 11.900 2.019 -0.278 1.00 0.00 C ATOM 738 CD2 TYR A 49 10.751 4.032 -0.842 1.00 0.00 C ATOM 739 CE1 TYR A 49 11.772 1.577 -1.580 1.00 0.00 C ATOM 740 CE2 TYR A 49 10.620 3.596 -2.147 1.00 0.00 C ATOM 741 CZ TYR A 49 11.133 2.369 -2.511 1.00 0.00 C ATOM 742 OH TYR A 49 11.004 1.932 -3.809 1.00 0.00 O ATOM 0 H TYR A 49 13.733 3.849 3.821 1.00 0.00 H new ATOM 0 HA TYR A 49 13.647 3.370 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.227 2.934 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.851 4.567 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.402 1.397 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 49 10.349 4.994 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.170 0.615 -1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.118 4.213 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 49 10.529 2.608 -4.336 1.00 0.00 H new ATOM 752 N ASN A 50 14.633 5.701 1.052 1.00 0.00 N ATOM 753 CA ASN A 50 15.134 6.856 0.317 1.00 0.00 C ATOM 754 C ASN A 50 16.458 6.531 -0.367 1.00 0.00 C ATOM 755 O ASN A 50 17.396 7.328 -0.339 1.00 0.00 O ATOM 756 CB ASN A 50 15.311 8.048 1.260 1.00 0.00 C ATOM 757 CG ASN A 50 14.989 9.368 0.588 1.00 0.00 C ATOM 758 OD1 ASN A 50 14.073 10.081 0.999 1.00 0.00 O ATOM 759 ND2 ASN A 50 15.744 9.702 -0.453 1.00 0.00 N ATOM 0 H ASN A 50 15.356 5.152 1.517 1.00 0.00 H new ATOM 0 HA ASN A 50 14.404 7.114 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.666 7.919 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.338 8.070 1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.575 10.579 -0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.493 9.081 -0.760 1.00 0.00 H new ATOM 766 N TRP A 51 16.528 5.354 -0.980 1.00 0.00 N ATOM 767 CA TRP A 51 17.738 4.922 -1.671 1.00 0.00 C ATOM 768 C TRP A 51 17.644 5.203 -3.169 1.00 0.00 C ATOM 769 O TRP A 51 18.286 4.529 -3.976 1.00 0.00 O ATOM 770 CB TRP A 51 17.975 3.429 -1.432 1.00 0.00 C ATOM 771 CG TRP A 51 16.940 2.554 -2.069 1.00 0.00 C ATOM 772 CD1 TRP A 51 15.669 2.330 -1.625 1.00 0.00 C ATOM 773 CD2 TRP A 51 17.090 1.787 -3.268 1.00 0.00 C ATOM 774 NE1 TRP A 51 15.018 1.470 -2.477 1.00 0.00 N ATOM 775 CE2 TRP A 51 15.870 1.121 -3.494 1.00 0.00 C ATOM 776 CE3 TRP A 51 18.137 1.599 -4.174 1.00 0.00 C ATOM 777 CZ2 TRP A 51 15.670 0.283 -4.586 1.00 0.00 C ATOM 778 CZ3 TRP A 51 17.938 0.765 -5.259 1.00 0.00 C ATOM 779 CH2 TRP A 51 16.712 0.117 -5.458 1.00 0.00 C ATOM 0 H TRP A 51 15.761 4.682 -1.013 1.00 0.00 H new ATOM 0 HA TRP A 51 18.579 5.488 -1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 51 18.957 3.158 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 51 17.991 3.238 -0.359 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.238 2.765 -0.735 1.00 0.00 H new ATOM 0 HE1 TRP A 51 14.057 1.144 -2.370 1.00 0.00 H new ATOM 0 HE3 TRP A 51 19.085 2.096 -4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 14.726 -0.219 -4.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.741 0.611 -5.965 1.00 0.00 H new ATOM 0 HH2 TRP A 51 16.586 -0.526 -6.316 1.00 0.00 H new ATOM 790 N GLN A 52 16.845 6.199 -3.535 1.00 0.00 N ATOM 791 CA GLN A 52 16.671 6.564 -4.936 1.00 0.00 C ATOM 792 C GLN A 52 17.606 7.706 -5.323 1.00 0.00 C ATOM 793 O GLN A 52 17.226 8.605 -6.074 1.00 0.00 O ATOM 794 CB GLN A 52 15.219 6.964 -5.207 1.00 0.00 C ATOM 795 CG GLN A 52 14.202 5.985 -4.642 1.00 0.00 C ATOM 796 CD GLN A 52 13.035 6.679 -3.968 1.00 0.00 C ATOM 797 OE1 GLN A 52 13.180 7.773 -3.422 1.00 0.00 O ATOM 798 NE2 GLN A 52 11.868 6.046 -4.003 1.00 0.00 N ATOM 0 H GLN A 52 16.308 6.768 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 52 16.919 5.694 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.037 7.950 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.069 7.050 -6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.828 5.352 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.694 5.330 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.793 5.141 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.047 6.465 -3.566 1.00 0.00 H new ATOM 807 N ASP A 53 18.831 7.665 -4.808 1.00 0.00 N ATOM 808 CA ASP A 53 19.819 8.696 -5.101 1.00 0.00 C ATOM 809 C ASP A 53 20.381 8.528 -6.510 1.00 0.00 C ATOM 810 O ASP A 53 20.801 9.498 -7.140 1.00 0.00 O ATOM 811 CB ASP A 53 20.955 8.649 -4.077 1.00 0.00 C ATOM 812 CG ASP A 53 21.776 9.924 -4.067 1.00 0.00 C ATOM 813 OD1 ASP A 53 22.263 10.325 -5.145 1.00 0.00 O ATOM 814 OD2 ASP A 53 21.932 10.520 -2.980 1.00 0.00 O ATOM 0 H ASP A 53 19.163 6.928 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 53 19.324 9.665 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.539 8.480 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.605 7.803 -4.298 1.00 0.00 H new ATOM 819 N HIS A 54 20.383 7.291 -6.998 1.00 0.00 N ATOM 820 CA HIS A 54 20.893 6.997 -8.333 1.00 0.00 C ATOM 821 C HIS A 54 20.155 7.811 -9.391 1.00 0.00 C ATOM 822 O HIS A 54 18.940 7.993 -9.312 1.00 0.00 O ATOM 823 CB HIS A 54 20.755 5.503 -8.636 1.00 0.00 C ATOM 824 CG HIS A 54 21.767 4.654 -7.932 1.00 0.00 C ATOM 825 ND1 HIS A 54 22.429 3.609 -8.543 1.00 0.00 N ATOM 826 CD2 HIS A 54 22.230 4.697 -6.661 1.00 0.00 C ATOM 827 CE1 HIS A 54 23.255 3.048 -7.679 1.00 0.00 C ATOM 828 NE2 HIS A 54 23.153 3.689 -6.529 1.00 0.00 N ATOM 0 H HIS A 54 20.038 6.477 -6.490 1.00 0.00 H new ATOM 0 HA HIS A 54 21.947 7.272 -8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 54 19.756 5.174 -8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 54 20.848 5.348 -9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.929 5.395 -5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 54 23.904 2.208 -7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 54 23.675 3.471 -5.680 1.00 0.00 H new ATOM 836 N HIS A 55 20.897 8.297 -10.380 1.00 0.00 N ATOM 837 CA HIS A 55 20.313 9.092 -11.454 1.00 0.00 C ATOM 838 C HIS A 55 19.852 8.200 -12.602 1.00 0.00 C ATOM 839 O HIS A 55 20.668 7.661 -13.350 1.00 0.00 O ATOM 840 CB HIS A 55 21.327 10.118 -11.966 1.00 0.00 C ATOM 841 CG HIS A 55 21.803 11.066 -10.910 1.00 0.00 C ATOM 842 ND1 HIS A 55 23.048 10.976 -10.323 1.00 0.00 N ATOM 843 CD2 HIS A 55 21.194 12.130 -10.334 1.00 0.00 C ATOM 844 CE1 HIS A 55 23.183 11.943 -9.433 1.00 0.00 C ATOM 845 NE2 HIS A 55 22.073 12.657 -9.420 1.00 0.00 N ATOM 0 H HIS A 55 21.904 8.154 -10.460 1.00 0.00 H new ATOM 0 HA HIS A 55 19.445 9.616 -11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.185 9.592 -12.384 1.00 0.00 H new ATOM 0 HB3 HIS A 55 20.876 10.688 -12.778 1.00 0.00 H new ATOM 0 HD2 HIS A 55 20.202 12.496 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.054 12.119 -8.820 1.00 0.00 H new ATOM 0 HE2 HIS A 55 21.897 13.468 -8.827 1.00 0.00 H new ATOM 853 N ILE A 56 18.539 8.049 -12.735 1.00 0.00 N ATOM 854 CA ILE A 56 17.968 7.223 -13.792 1.00 0.00 C ATOM 855 C ILE A 56 16.446 7.332 -13.813 1.00 0.00 C ATOM 856 O ILE A 56 15.769 6.889 -12.885 1.00 0.00 O ATOM 857 CB ILE A 56 18.370 5.743 -13.625 1.00 0.00 C ATOM 858 CG1 ILE A 56 17.849 4.911 -14.800 1.00 0.00 C ATOM 859 CG2 ILE A 56 17.846 5.193 -12.306 1.00 0.00 C ATOM 860 CD1 ILE A 56 18.497 5.259 -16.122 1.00 0.00 C ATOM 0 H ILE A 56 17.850 8.488 -12.124 1.00 0.00 H new ATOM 0 HA ILE A 56 18.366 7.593 -14.737 1.00 0.00 H new ATOM 0 HB ILE A 56 19.458 5.680 -13.615 1.00 0.00 H new ATOM 0 HG12 ILE A 56 18.017 3.855 -14.589 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.771 5.052 -14.885 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.139 4.148 -12.205 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.264 5.768 -11.480 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.759 5.268 -12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 56 18.079 4.630 -16.909 1.00 0.00 H new ATOM 0 HD12 ILE A 56 18.307 6.307 -16.356 1.00 0.00 H new ATOM 0 HD13 ILE A 56 19.572 5.091 -16.056 1.00 0.00 H new ATOM 872 N GLU A 57 15.915 7.924 -14.878 1.00 0.00 N ATOM 873 CA GLU A 57 14.473 8.091 -15.020 1.00 0.00 C ATOM 874 C GLU A 57 14.021 7.720 -16.429 1.00 0.00 C ATOM 875 O GLU A 57 13.113 6.908 -16.606 1.00 0.00 O ATOM 876 CB GLU A 57 14.073 9.534 -14.704 1.00 0.00 C ATOM 877 CG GLU A 57 13.612 9.736 -13.270 1.00 0.00 C ATOM 878 CD GLU A 57 14.491 10.708 -12.505 1.00 0.00 C ATOM 879 OE1 GLU A 57 15.726 10.660 -12.685 1.00 0.00 O ATOM 880 OE2 GLU A 57 13.944 11.516 -11.726 1.00 0.00 O ATOM 0 H GLU A 57 16.461 8.296 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 57 13.981 7.423 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.922 10.189 -14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.274 9.837 -15.380 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.586 10.103 -13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.606 8.775 -12.756 1.00 0.00 H new ATOM 887 N GLU A 58 14.659 8.321 -17.428 1.00 0.00 N ATOM 888 CA GLU A 58 14.321 8.053 -18.821 1.00 0.00 C ATOM 889 C GLU A 58 15.364 8.652 -19.759 1.00 0.00 C ATOM 890 O GLU A 58 15.141 9.701 -20.363 1.00 0.00 O ATOM 891 CB GLU A 58 12.938 8.616 -19.150 1.00 0.00 C ATOM 892 CG GLU A 58 12.168 7.783 -20.162 1.00 0.00 C ATOM 893 CD GLU A 58 10.915 7.161 -19.575 1.00 0.00 C ATOM 894 OE1 GLU A 58 10.991 6.622 -18.452 1.00 0.00 O ATOM 895 OE2 GLU A 58 9.860 7.212 -20.240 1.00 0.00 O ATOM 0 H GLU A 58 15.412 8.996 -17.299 1.00 0.00 H new ATOM 0 HA GLU A 58 14.308 6.973 -18.964 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.356 8.687 -18.231 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.050 9.629 -19.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.894 8.411 -21.010 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.815 6.994 -20.545 1.00 0.00 H new ATOM 902 N SER A 59 16.504 7.979 -19.877 1.00 0.00 N ATOM 903 CA SER A 59 17.581 8.444 -20.742 1.00 0.00 C ATOM 904 C SER A 59 17.565 7.704 -22.076 1.00 0.00 C ATOM 905 O SER A 59 18.615 7.421 -22.653 1.00 0.00 O ATOM 906 CB SER A 59 18.934 8.251 -20.055 1.00 0.00 C ATOM 907 OG SER A 59 18.952 7.060 -19.288 1.00 0.00 O ATOM 0 H SER A 59 16.705 7.109 -19.384 1.00 0.00 H new ATOM 0 HA SER A 59 17.427 9.506 -20.934 1.00 0.00 H new ATOM 0 HB2 SER A 59 19.724 8.216 -20.805 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.143 9.105 -19.411 1.00 0.00 H new ATOM 0 HG SER A 59 19.828 6.959 -18.861 1.00 0.00 H new ATOM 913 N GLY A 60 16.366 7.395 -22.560 1.00 0.00 N ATOM 914 CA GLY A 60 16.235 6.691 -23.822 1.00 0.00 C ATOM 915 C GLY A 60 16.352 5.186 -23.662 1.00 0.00 C ATOM 916 O GLY A 60 16.335 4.678 -22.541 1.00 0.00 O ATOM 0 H GLY A 60 15.483 7.620 -22.101 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.271 6.932 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.004 7.041 -24.511 1.00 0.00 H new ATOM 920 N PRO A 61 16.475 4.442 -24.773 1.00 0.00 N ATOM 921 CA PRO A 61 16.595 2.980 -24.737 1.00 0.00 C ATOM 922 C PRO A 61 17.708 2.513 -23.804 1.00 0.00 C ATOM 923 O PRO A 61 18.884 2.530 -24.167 1.00 0.00 O ATOM 924 CB PRO A 61 16.922 2.613 -26.186 1.00 0.00 C ATOM 925 CG PRO A 61 16.360 3.729 -26.996 1.00 0.00 C ATOM 926 CD PRO A 61 16.505 4.965 -26.153 1.00 0.00 C ATOM 0 HA PRO A 61 15.689 2.506 -24.359 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.997 2.517 -26.337 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.475 1.658 -26.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.896 3.835 -27.939 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.314 3.545 -27.242 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.437 5.489 -26.364 1.00 0.00 H new ATOM 0 HD3 PRO A 61 15.695 5.672 -26.333 1.00 0.00 H new ATOM 934 N SER A 62 17.326 2.098 -22.600 1.00 0.00 N ATOM 935 CA SER A 62 18.290 1.625 -21.613 1.00 0.00 C ATOM 936 C SER A 62 17.593 0.835 -20.511 1.00 0.00 C ATOM 937 O SER A 62 17.979 -0.293 -20.202 1.00 0.00 O ATOM 938 CB SER A 62 19.053 2.805 -21.008 1.00 0.00 C ATOM 939 OG SER A 62 18.196 3.619 -20.226 1.00 0.00 O ATOM 0 H SER A 62 16.356 2.080 -22.285 1.00 0.00 H new ATOM 0 HA SER A 62 18.997 0.966 -22.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.871 2.435 -20.391 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.499 3.401 -21.805 1.00 0.00 H new ATOM 0 HG SER A 62 17.530 4.044 -20.806 1.00 0.00 H new ATOM 945 N SER A 63 16.564 1.435 -19.922 1.00 0.00 N ATOM 946 CA SER A 63 15.809 0.787 -18.855 1.00 0.00 C ATOM 947 C SER A 63 16.706 0.486 -17.658 1.00 0.00 C ATOM 948 O SER A 63 17.890 0.820 -17.656 1.00 0.00 O ATOM 949 CB SER A 63 15.169 -0.505 -19.365 1.00 0.00 C ATOM 950 OG SER A 63 14.281 -0.244 -20.439 1.00 0.00 O ATOM 0 H SER A 63 16.234 2.369 -20.165 1.00 0.00 H new ATOM 0 HA SER A 63 15.023 1.471 -18.534 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.947 -1.196 -19.691 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.630 -0.993 -18.553 1.00 0.00 H new ATOM 0 HG SER A 63 13.886 -1.086 -20.749 1.00 0.00 H new ATOM 956 N GLY A 64 16.130 -0.148 -16.641 1.00 0.00 N ATOM 957 CA GLY A 64 16.889 -0.485 -15.451 1.00 0.00 C ATOM 958 C GLY A 64 16.117 -0.214 -14.175 1.00 0.00 C ATOM 959 O GLY A 64 14.873 -0.123 -14.242 1.00 0.00 O ATOM 960 OXT GLY A 64 16.756 -0.091 -13.110 1.00 0.00 O ATOM 0 H GLY A 64 15.151 -0.434 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.167 -1.538 -15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.816 0.089 -15.440 1.00 0.00 H new TER 964 GLY A 64