USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=18 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0348 (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 -115:sc= 0.00162 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.02) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.47) 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= -1.52 X(o=-1.5,f=-1.1) 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 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 85:sc= -0.44 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 43 ASN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.776 K(o=0.78,f=-0.028) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.0067) USER MOD Single : A 55 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=-0.0021) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.906 36.805 -11.993 1.00 0.00 N ATOM 2 CA GLY A 1 -2.917 35.587 -12.851 1.00 0.00 C ATOM 3 C GLY A 1 -3.389 35.876 -14.262 1.00 0.00 C ATOM 4 O GLY A 1 -4.109 36.846 -14.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.923 37.078 -11.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.386 37.583 -12.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.401 36.605 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.914 35.162 -12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.565 34.835 -12.401 1.00 0.00 H new ATOM 10 N SER A 2 -2.982 35.031 -15.205 1.00 0.00 N ATOM 11 CA SER A 2 -3.367 35.198 -16.601 1.00 0.00 C ATOM 12 C SER A 2 -4.281 34.065 -17.053 1.00 0.00 C ATOM 13 O SER A 2 -5.435 34.292 -17.417 1.00 0.00 O ATOM 14 CB SER A 2 -2.124 35.253 -17.491 1.00 0.00 C ATOM 15 OG SER A 2 -1.186 36.195 -17.000 1.00 0.00 O ATOM 0 H SER A 2 -2.385 34.223 -15.026 1.00 0.00 H new ATOM 0 HA SER A 2 -3.912 36.137 -16.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.663 34.267 -17.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.413 35.519 -18.508 1.00 0.00 H new ATOM 0 HG SER A 2 -0.400 36.210 -17.585 1.00 0.00 H new ATOM 21 N SER A 3 -3.758 32.844 -17.029 1.00 0.00 N ATOM 22 CA SER A 3 -4.526 31.674 -17.436 1.00 0.00 C ATOM 23 C SER A 3 -5.379 31.155 -16.283 1.00 0.00 C ATOM 24 O SER A 3 -4.872 30.889 -15.194 1.00 0.00 O ATOM 25 CB SER A 3 -3.590 30.571 -17.931 1.00 0.00 C ATOM 26 OG SER A 3 -4.320 29.504 -18.514 1.00 0.00 O ATOM 0 H SER A 3 -2.804 32.639 -16.732 1.00 0.00 H new ATOM 0 HA SER A 3 -5.189 31.970 -18.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.894 30.982 -18.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.994 30.196 -17.099 1.00 0.00 H new ATOM 0 HG SER A 3 -3.698 28.813 -18.824 1.00 0.00 H new ATOM 32 N GLY A 4 -6.677 31.012 -16.531 1.00 0.00 N ATOM 33 CA GLY A 4 -7.579 30.524 -15.504 1.00 0.00 C ATOM 34 C GLY A 4 -8.562 29.500 -16.034 1.00 0.00 C ATOM 35 O GLY A 4 -8.499 29.115 -17.201 1.00 0.00 O ATOM 0 H GLY A 4 -7.120 31.225 -17.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.998 30.081 -14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.128 31.364 -15.078 1.00 0.00 H new ATOM 39 N SER A 5 -9.474 29.056 -15.174 1.00 0.00 N ATOM 40 CA SER A 5 -10.477 28.069 -15.560 1.00 0.00 C ATOM 41 C SER A 5 -9.821 26.745 -15.936 1.00 0.00 C ATOM 42 O SER A 5 -8.801 26.718 -16.625 1.00 0.00 O ATOM 43 CB SER A 5 -11.312 28.589 -16.732 1.00 0.00 C ATOM 44 OG SER A 5 -12.458 27.782 -16.940 1.00 0.00 O ATOM 0 H SER A 5 -9.539 29.365 -14.204 1.00 0.00 H new ATOM 0 HA SER A 5 -11.131 27.900 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.618 29.617 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.705 28.604 -17.637 1.00 0.00 H new ATOM 0 HG SER A 5 -12.975 28.136 -17.693 1.00 0.00 H new ATOM 50 N SER A 6 -10.413 25.646 -15.477 1.00 0.00 N ATOM 51 CA SER A 6 -9.886 24.318 -15.765 1.00 0.00 C ATOM 52 C SER A 6 -10.301 23.858 -17.159 1.00 0.00 C ATOM 53 O SER A 6 -11.215 24.420 -17.762 1.00 0.00 O ATOM 54 CB SER A 6 -10.375 23.316 -14.717 1.00 0.00 C ATOM 55 OG SER A 6 -9.445 23.191 -13.656 1.00 0.00 O ATOM 0 H SER A 6 -11.257 25.650 -14.905 1.00 0.00 H new ATOM 0 HA SER A 6 -8.798 24.370 -15.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.339 23.639 -14.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.531 22.344 -15.184 1.00 0.00 H new ATOM 0 HG SER A 6 -9.072 22.285 -13.653 1.00 0.00 H new ATOM 61 N GLY A 7 -9.624 22.833 -17.664 1.00 0.00 N ATOM 62 CA GLY A 7 -9.937 22.315 -18.983 1.00 0.00 C ATOM 63 C GLY A 7 -9.753 20.813 -19.076 1.00 0.00 C ATOM 64 O GLY A 7 -9.990 20.091 -18.107 1.00 0.00 O ATOM 0 H GLY A 7 -8.864 22.351 -17.184 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.967 22.568 -19.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.300 22.802 -19.722 1.00 0.00 H new ATOM 68 N VAL A 8 -9.331 20.342 -20.244 1.00 0.00 N ATOM 69 CA VAL A 8 -9.116 18.916 -20.461 1.00 0.00 C ATOM 70 C VAL A 8 -7.869 18.432 -19.730 1.00 0.00 C ATOM 71 O VAL A 8 -7.181 19.211 -19.071 1.00 0.00 O ATOM 72 CB VAL A 8 -8.977 18.590 -21.960 1.00 0.00 C ATOM 73 CG1 VAL A 8 -10.326 18.694 -22.656 1.00 0.00 C ATOM 74 CG2 VAL A 8 -7.955 19.509 -22.615 1.00 0.00 C ATOM 0 H VAL A 8 -9.131 20.927 -21.055 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.991 18.400 -20.065 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.622 17.564 -22.059 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.208 18.460 -23.714 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.024 17.989 -22.204 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.713 19.707 -22.549 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.871 19.263 -23.674 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.276 20.545 -22.507 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.986 19.377 -22.134 1.00 0.00 H new ATOM 84 N THR A 9 -7.584 17.138 -19.850 1.00 0.00 N ATOM 85 CA THR A 9 -6.418 16.549 -19.200 1.00 0.00 C ATOM 86 C THR A 9 -6.507 16.698 -17.684 1.00 0.00 C ATOM 87 O THR A 9 -5.542 17.095 -17.030 1.00 0.00 O ATOM 88 CB THR A 9 -5.135 17.202 -19.717 1.00 0.00 C ATOM 89 OG1 THR A 9 -5.294 17.625 -21.059 1.00 0.00 O ATOM 90 CG2 THR A 9 -3.933 16.285 -19.663 1.00 0.00 C ATOM 0 H THR A 9 -8.144 16.479 -20.391 1.00 0.00 H new ATOM 0 HA THR A 9 -6.397 15.486 -19.441 1.00 0.00 H new ATOM 0 HB THR A 9 -4.955 18.049 -19.055 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.464 18.042 -21.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.057 16.810 -20.044 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.754 15.981 -18.632 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.121 15.402 -20.274 1.00 0.00 H new ATOM 98 N TYR A 10 -7.672 16.377 -17.130 1.00 0.00 N ATOM 99 CA TYR A 10 -7.888 16.474 -15.691 1.00 0.00 C ATOM 100 C TYR A 10 -8.390 15.148 -15.127 1.00 0.00 C ATOM 101 O TYR A 10 -9.191 15.124 -14.192 1.00 0.00 O ATOM 102 CB TYR A 10 -8.887 17.591 -15.380 1.00 0.00 C ATOM 103 CG TYR A 10 -8.384 18.586 -14.358 1.00 0.00 C ATOM 104 CD1 TYR A 10 -7.211 19.299 -14.573 1.00 0.00 C ATOM 105 CD2 TYR A 10 -9.082 18.812 -13.178 1.00 0.00 C ATOM 106 CE1 TYR A 10 -6.748 20.209 -13.642 1.00 0.00 C ATOM 107 CE2 TYR A 10 -8.625 19.720 -12.242 1.00 0.00 C ATOM 108 CZ TYR A 10 -7.458 20.416 -12.479 1.00 0.00 C ATOM 109 OH TYR A 10 -7.000 21.321 -11.549 1.00 0.00 O ATOM 0 H TYR A 10 -8.481 16.047 -17.656 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.935 16.709 -15.218 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.127 18.120 -16.302 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.814 17.147 -15.017 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.652 19.139 -15.483 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.996 18.269 -12.989 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.834 20.755 -13.825 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.179 19.884 -11.329 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.617 21.348 -10.788 1.00 0.00 H new ATOM 119 N ASP A 11 -7.916 14.048 -15.702 1.00 0.00 N ATOM 120 CA ASP A 11 -8.317 12.719 -15.256 1.00 0.00 C ATOM 121 C ASP A 11 -7.096 11.846 -14.978 1.00 0.00 C ATOM 122 O ASP A 11 -6.747 10.977 -15.776 1.00 0.00 O ATOM 123 CB ASP A 11 -9.206 12.052 -16.308 1.00 0.00 C ATOM 124 CG ASP A 11 -10.668 12.421 -16.147 1.00 0.00 C ATOM 125 OD1 ASP A 11 -10.999 13.615 -16.301 1.00 0.00 O ATOM 126 OD2 ASP A 11 -11.481 11.516 -15.866 1.00 0.00 O ATOM 0 H ASP A 11 -7.254 14.051 -16.478 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.881 12.829 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.868 12.343 -17.303 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.097 10.970 -16.238 1.00 0.00 H new ATOM 131 N ASP A 12 -6.452 12.085 -13.841 1.00 0.00 N ATOM 132 CA ASP A 12 -5.271 11.322 -13.456 1.00 0.00 C ATOM 133 C ASP A 12 -5.359 10.880 -11.999 1.00 0.00 C ATOM 134 O ASP A 12 -4.343 10.760 -11.314 1.00 0.00 O ATOM 135 CB ASP A 12 -4.007 12.155 -13.672 1.00 0.00 C ATOM 136 CG ASP A 12 -3.515 12.098 -15.105 1.00 0.00 C ATOM 137 OD1 ASP A 12 -3.127 11.001 -15.557 1.00 0.00 O ATOM 138 OD2 ASP A 12 -3.518 13.153 -15.776 1.00 0.00 O ATOM 0 H ASP A 12 -6.728 12.801 -13.170 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.224 10.433 -14.084 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.207 13.191 -13.401 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.221 11.797 -13.006 1.00 0.00 H new ATOM 143 N VAL A 13 -6.580 10.640 -11.531 1.00 0.00 N ATOM 144 CA VAL A 13 -6.800 10.212 -10.155 1.00 0.00 C ATOM 145 C VAL A 13 -7.525 8.870 -10.107 1.00 0.00 C ATOM 146 O VAL A 13 -8.486 8.696 -9.356 1.00 0.00 O ATOM 147 CB VAL A 13 -7.614 11.256 -9.367 1.00 0.00 C ATOM 148 CG1 VAL A 13 -6.812 12.535 -9.187 1.00 0.00 C ATOM 149 CG2 VAL A 13 -8.936 11.540 -10.064 1.00 0.00 C ATOM 0 H VAL A 13 -7.431 10.735 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.818 10.106 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.831 10.850 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.404 13.260 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.895 12.316 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.561 12.948 -10.164 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.497 12.280 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.744 11.925 -11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.516 10.620 -10.134 1.00 0.00 H new ATOM 159 N HIS A 14 -7.057 7.922 -10.911 1.00 0.00 N ATOM 160 CA HIS A 14 -7.659 6.594 -10.959 1.00 0.00 C ATOM 161 C HIS A 14 -6.900 5.613 -10.068 1.00 0.00 C ATOM 162 O HIS A 14 -6.969 4.401 -10.266 1.00 0.00 O ATOM 163 CB HIS A 14 -7.685 6.075 -12.398 1.00 0.00 C ATOM 164 CG HIS A 14 -8.807 6.634 -13.216 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.737 6.787 -14.585 1.00 0.00 N ATOM 166 CD2 HIS A 14 -10.034 7.077 -12.853 1.00 0.00 C ATOM 167 CE1 HIS A 14 -9.871 7.300 -15.028 1.00 0.00 C ATOM 168 NE2 HIS A 14 -10.675 7.486 -13.997 1.00 0.00 N ATOM 0 H HIS A 14 -6.263 8.048 -11.538 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.681 6.676 -10.588 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.738 6.318 -12.880 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.764 4.988 -12.382 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.434 7.104 -11.850 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.101 7.528 -16.058 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.619 7.871 -14.043 1.00 0.00 H new ATOM 176 N MET A 15 -6.175 6.145 -9.088 1.00 0.00 N ATOM 177 CA MET A 15 -5.406 5.314 -8.170 1.00 0.00 C ATOM 178 C MET A 15 -5.671 5.715 -6.722 1.00 0.00 C ATOM 179 O MET A 15 -4.806 5.569 -5.859 1.00 0.00 O ATOM 180 CB MET A 15 -3.911 5.427 -8.478 1.00 0.00 C ATOM 181 CG MET A 15 -3.406 4.363 -9.438 1.00 0.00 C ATOM 182 SD MET A 15 -4.088 4.543 -11.097 1.00 0.00 S ATOM 183 CE MET A 15 -3.751 2.922 -11.780 1.00 0.00 C ATOM 0 H MET A 15 -6.105 7.147 -8.910 1.00 0.00 H new ATOM 0 HA MET A 15 -5.720 4.279 -8.305 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.709 6.411 -8.901 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.350 5.359 -7.546 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.318 4.413 -9.489 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.662 3.377 -9.049 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.116 2.877 -12.806 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.677 2.738 -11.768 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.255 2.163 -11.182 1.00 0.00 H new ATOM 193 N ASN A 16 -6.872 6.220 -6.464 1.00 0.00 N ATOM 194 CA ASN A 16 -7.252 6.642 -5.121 1.00 0.00 C ATOM 195 C ASN A 16 -8.700 6.265 -4.822 1.00 0.00 C ATOM 196 O ASN A 16 -9.583 7.122 -4.793 1.00 0.00 O ATOM 197 CB ASN A 16 -7.063 8.152 -4.966 1.00 0.00 C ATOM 198 CG ASN A 16 -5.623 8.579 -5.173 1.00 0.00 C ATOM 199 OD1 ASN A 16 -4.707 8.035 -4.554 1.00 0.00 O ATOM 200 ND2 ASN A 16 -5.415 9.557 -6.047 1.00 0.00 N ATOM 0 H ASN A 16 -7.600 6.347 -7.167 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.607 6.127 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.699 8.670 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.390 8.456 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.467 9.886 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.204 9.979 -6.537 1.00 0.00 H new ATOM 207 N PHE A 17 -8.937 4.975 -4.601 1.00 0.00 N ATOM 208 CA PHE A 17 -10.277 4.484 -4.306 1.00 0.00 C ATOM 209 C PHE A 17 -10.517 4.429 -2.801 1.00 0.00 C ATOM 210 O PHE A 17 -9.734 3.836 -2.059 1.00 0.00 O ATOM 211 CB PHE A 17 -10.482 3.097 -4.919 1.00 0.00 C ATOM 212 CG PHE A 17 -10.097 3.018 -6.368 1.00 0.00 C ATOM 213 CD1 PHE A 17 -8.767 2.886 -6.739 1.00 0.00 C ATOM 214 CD2 PHE A 17 -11.063 3.075 -7.359 1.00 0.00 C ATOM 215 CE1 PHE A 17 -8.410 2.812 -8.071 1.00 0.00 C ATOM 216 CE2 PHE A 17 -10.711 3.002 -8.694 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.383 2.870 -9.050 1.00 0.00 C ATOM 0 H PHE A 17 -8.218 4.252 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.995 5.176 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.897 2.370 -4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.529 2.814 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.002 2.841 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.103 3.178 -7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.371 2.709 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.473 3.048 -9.458 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.106 2.812 -10.092 1.00 0.00 H new ATOM 227 N THR A 18 -11.606 5.050 -2.357 1.00 0.00 N ATOM 228 CA THR A 18 -11.949 5.070 -0.940 1.00 0.00 C ATOM 229 C THR A 18 -12.602 3.758 -0.520 1.00 0.00 C ATOM 230 O THR A 18 -12.676 2.811 -1.303 1.00 0.00 O ATOM 231 CB THR A 18 -12.889 6.239 -0.640 1.00 0.00 C ATOM 232 OG1 THR A 18 -14.141 6.052 -1.274 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.341 7.578 -1.089 1.00 0.00 C ATOM 0 H THR A 18 -12.265 5.545 -2.958 1.00 0.00 H new ATOM 0 HA THR A 18 -11.029 5.196 -0.370 1.00 0.00 H new ATOM 0 HB THR A 18 -12.995 6.253 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.728 6.809 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.056 8.364 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.399 7.775 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.173 7.560 -2.166 1.00 0.00 H new ATOM 241 N GLU A 19 -13.074 3.707 0.722 1.00 0.00 N ATOM 242 CA GLU A 19 -13.721 2.510 1.247 1.00 0.00 C ATOM 243 C GLU A 19 -14.927 2.125 0.395 1.00 0.00 C ATOM 244 O GLU A 19 -15.085 0.966 0.014 1.00 0.00 O ATOM 245 CB GLU A 19 -14.156 2.735 2.696 1.00 0.00 C ATOM 246 CG GLU A 19 -14.020 1.499 3.570 1.00 0.00 C ATOM 247 CD GLU A 19 -13.482 1.819 4.952 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.219 2.443 5.745 1.00 0.00 O ATOM 249 OE2 GLU A 19 -12.326 1.445 5.240 1.00 0.00 O ATOM 0 H GLU A 19 -13.020 4.481 1.384 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.000 1.693 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.560 3.541 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.195 3.066 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.993 1.017 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.357 0.785 3.082 1.00 0.00 H new ATOM 256 N GLU A 20 -15.774 3.106 0.101 1.00 0.00 N ATOM 257 CA GLU A 20 -16.966 2.870 -0.706 1.00 0.00 C ATOM 258 C GLU A 20 -16.590 2.387 -2.103 1.00 0.00 C ATOM 259 O GLU A 20 -17.092 1.367 -2.574 1.00 0.00 O ATOM 260 CB GLU A 20 -17.802 4.148 -0.801 1.00 0.00 C ATOM 261 CG GLU A 20 -18.881 4.251 0.264 1.00 0.00 C ATOM 262 CD GLU A 20 -20.275 4.043 -0.295 1.00 0.00 C ATOM 263 OE1 GLU A 20 -20.483 3.044 -1.015 1.00 0.00 O ATOM 264 OE2 GLU A 20 -21.159 4.880 -0.014 1.00 0.00 O ATOM 0 H GLU A 20 -15.657 4.071 0.409 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.557 2.093 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.141 5.011 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.269 4.194 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.691 3.510 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.826 5.231 0.738 1.00 0.00 H new ATOM 271 N GLU A 21 -15.704 3.127 -2.760 1.00 0.00 N ATOM 272 CA GLU A 21 -15.260 2.775 -4.104 1.00 0.00 C ATOM 273 C GLU A 21 -14.550 1.425 -4.107 1.00 0.00 C ATOM 274 O GLU A 21 -14.635 0.670 -5.074 1.00 0.00 O ATOM 275 CB GLU A 21 -14.331 3.859 -4.657 1.00 0.00 C ATOM 276 CG GLU A 21 -14.945 4.665 -5.791 1.00 0.00 C ATOM 277 CD GLU A 21 -13.904 5.391 -6.620 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.161 6.218 -6.049 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.833 5.134 -7.840 1.00 0.00 O ATOM 0 H GLU A 21 -15.279 3.974 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.140 2.701 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.055 4.536 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.411 3.392 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.518 3.999 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.646 5.390 -5.378 1.00 0.00 H new ATOM 286 N TRP A 22 -13.850 1.126 -3.017 1.00 0.00 N ATOM 287 CA TRP A 22 -13.123 -0.134 -2.892 1.00 0.00 C ATOM 288 C TRP A 22 -14.048 -1.325 -3.123 1.00 0.00 C ATOM 289 O TRP A 22 -13.615 -2.381 -3.584 1.00 0.00 O ATOM 290 CB TRP A 22 -12.475 -0.237 -1.510 1.00 0.00 C ATOM 291 CG TRP A 22 -11.480 -1.351 -1.402 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.652 -2.541 -0.756 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.157 -1.379 -1.950 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.518 -3.308 -0.871 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.587 -2.616 -1.599 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.401 -0.477 -2.705 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.295 -2.974 -1.977 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.119 -0.834 -3.080 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.578 -2.074 -2.716 1.00 0.00 C ATOM 0 H TRP A 22 -13.770 1.740 -2.206 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.344 -0.151 -3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.980 0.706 -1.277 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.254 -0.381 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.548 -2.836 -0.231 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.390 -4.241 -0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.811 0.481 -2.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.874 -3.928 -1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.525 -0.146 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.574 -2.324 -3.025 1.00 0.00 H new ATOM 310 N ASP A 23 -15.325 -1.149 -2.798 1.00 0.00 N ATOM 311 CA ASP A 23 -16.312 -2.210 -2.969 1.00 0.00 C ATOM 312 C ASP A 23 -16.881 -2.210 -4.387 1.00 0.00 C ATOM 313 O ASP A 23 -17.419 -3.218 -4.846 1.00 0.00 O ATOM 314 CB ASP A 23 -17.445 -2.046 -1.955 1.00 0.00 C ATOM 315 CG ASP A 23 -17.034 -2.466 -0.557 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.119 -3.307 -0.435 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.627 -1.954 0.415 1.00 0.00 O ATOM 0 H ASP A 23 -15.701 -0.282 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.813 -3.164 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.767 -1.005 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.302 -2.640 -2.273 1.00 0.00 H new ATOM 322 N LEU A 24 -16.761 -1.078 -5.075 1.00 0.00 N ATOM 323 CA LEU A 24 -17.267 -0.956 -6.437 1.00 0.00 C ATOM 324 C LEU A 24 -16.173 -1.241 -7.463 1.00 0.00 C ATOM 325 O LEU A 24 -16.281 -0.846 -8.624 1.00 0.00 O ATOM 326 CB LEU A 24 -17.840 0.444 -6.666 1.00 0.00 C ATOM 327 CG LEU A 24 -18.626 1.023 -5.488 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.555 2.542 -5.492 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.072 0.556 -5.531 1.00 0.00 C ATOM 0 H LEU A 24 -16.318 -0.234 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.057 -1.695 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.020 1.121 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.492 0.415 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.175 0.662 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.120 2.935 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.515 2.858 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.979 2.924 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.616 0.978 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.534 0.887 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.105 -0.532 -5.477 1.00 0.00 H new ATOM 341 N LEU A 25 -15.119 -1.930 -7.032 1.00 0.00 N ATOM 342 CA LEU A 25 -14.011 -2.264 -7.920 1.00 0.00 C ATOM 343 C LEU A 25 -13.909 -3.773 -8.120 1.00 0.00 C ATOM 344 O LEU A 25 -14.479 -4.551 -7.355 1.00 0.00 O ATOM 345 CB LEU A 25 -12.696 -1.722 -7.357 1.00 0.00 C ATOM 346 CG LEU A 25 -12.587 -0.197 -7.318 1.00 0.00 C ATOM 347 CD1 LEU A 25 -11.456 0.234 -6.397 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.377 0.357 -8.720 1.00 0.00 C ATOM 0 H LEU A 25 -15.010 -2.267 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.202 -1.800 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.566 -2.106 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.873 -2.114 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.520 0.206 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.394 1.322 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.648 -0.132 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.514 -0.178 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.302 1.443 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.458 -0.053 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.220 0.078 -9.352 1.00 0.00 H new ATOM 360 N ASP A 26 -13.178 -4.179 -9.154 1.00 0.00 N ATOM 361 CA ASP A 26 -13.001 -5.595 -9.456 1.00 0.00 C ATOM 362 C ASP A 26 -11.760 -6.151 -8.767 1.00 0.00 C ATOM 363 O ASP A 26 -10.985 -5.406 -8.166 1.00 0.00 O ATOM 364 CB ASP A 26 -12.896 -5.805 -10.968 1.00 0.00 C ATOM 365 CG ASP A 26 -14.247 -5.753 -11.654 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.192 -6.399 -11.155 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.360 -5.067 -12.692 1.00 0.00 O ATOM 0 H ASP A 26 -12.699 -3.548 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.872 -6.131 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.246 -5.041 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.428 -6.769 -11.167 1.00 0.00 H new ATOM 372 N SER A 27 -11.577 -7.465 -8.858 1.00 0.00 N ATOM 373 CA SER A 27 -10.429 -8.121 -8.243 1.00 0.00 C ATOM 374 C SER A 27 -9.122 -7.572 -8.805 1.00 0.00 C ATOM 375 O SER A 27 -8.162 -7.351 -8.068 1.00 0.00 O ATOM 376 CB SER A 27 -10.499 -9.633 -8.468 1.00 0.00 C ATOM 377 OG SER A 27 -9.329 -10.275 -7.992 1.00 0.00 O ATOM 0 H SER A 27 -12.209 -8.096 -9.351 1.00 0.00 H new ATOM 0 HA SER A 27 -10.456 -7.917 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.373 -10.039 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.624 -9.840 -9.531 1.00 0.00 H new ATOM 0 HG SER A 27 -9.400 -11.240 -8.146 1.00 0.00 H new ATOM 383 N SER A 28 -9.094 -7.352 -10.116 1.00 0.00 N ATOM 384 CA SER A 28 -7.906 -6.826 -10.777 1.00 0.00 C ATOM 385 C SER A 28 -7.544 -5.450 -10.227 1.00 0.00 C ATOM 386 O SER A 28 -6.376 -5.067 -10.202 1.00 0.00 O ATOM 387 CB SER A 28 -8.129 -6.743 -12.288 1.00 0.00 C ATOM 388 OG SER A 28 -6.934 -6.389 -12.962 1.00 0.00 O ATOM 0 H SER A 28 -9.880 -7.530 -10.741 1.00 0.00 H new ATOM 0 HA SER A 28 -7.079 -7.507 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.488 -7.703 -12.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.904 -6.007 -12.504 1.00 0.00 H new ATOM 0 HG SER A 28 -7.103 -6.344 -13.926 1.00 0.00 H new ATOM 394 N GLN A 29 -8.558 -4.711 -9.787 1.00 0.00 N ATOM 395 CA GLN A 29 -8.350 -3.378 -9.235 1.00 0.00 C ATOM 396 C GLN A 29 -7.894 -3.458 -7.782 1.00 0.00 C ATOM 397 O GLN A 29 -6.979 -2.746 -7.368 1.00 0.00 O ATOM 398 CB GLN A 29 -9.638 -2.560 -9.332 1.00 0.00 C ATOM 399 CG GLN A 29 -10.145 -2.387 -10.756 1.00 0.00 C ATOM 400 CD GLN A 29 -10.234 -0.931 -11.173 1.00 0.00 C ATOM 401 OE1 GLN A 29 -11.201 -0.515 -11.812 1.00 0.00 O ATOM 402 NE2 GLN A 29 -9.223 -0.149 -10.814 1.00 0.00 N ATOM 0 H GLN A 29 -9.532 -5.014 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.569 -2.887 -9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.412 -3.044 -8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.468 -1.576 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.482 -2.917 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.129 -2.847 -10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.442 -0.536 -10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.228 0.839 -11.067 1.00 0.00 H new ATOM 411 N LYS A 30 -8.539 -4.330 -7.013 1.00 0.00 N ATOM 412 CA LYS A 30 -8.201 -4.507 -5.606 1.00 0.00 C ATOM 413 C LYS A 30 -6.730 -4.876 -5.438 1.00 0.00 C ATOM 414 O LYS A 30 -6.060 -4.395 -4.524 1.00 0.00 O ATOM 415 CB LYS A 30 -9.088 -5.587 -4.980 1.00 0.00 C ATOM 416 CG LYS A 30 -9.911 -5.090 -3.804 1.00 0.00 C ATOM 417 CD LYS A 30 -11.089 -6.008 -3.520 1.00 0.00 C ATOM 418 CE LYS A 30 -12.315 -5.223 -3.079 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.892 -5.761 -1.815 1.00 0.00 N ATOM 0 H LYS A 30 -9.299 -4.925 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.376 -3.561 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.760 -5.981 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.460 -6.415 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.279 -5.023 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.275 -4.084 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.327 -6.584 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.815 -6.723 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.045 -4.176 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.069 -5.255 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.726 -5.200 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.173 -6.752 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.181 -5.707 -1.058 1.00 0.00 H new ATOM 433 N ARG A 31 -6.234 -5.731 -6.325 1.00 0.00 N ATOM 434 CA ARG A 31 -4.842 -6.162 -6.273 1.00 0.00 C ATOM 435 C ARG A 31 -3.920 -5.090 -6.845 1.00 0.00 C ATOM 436 O ARG A 31 -2.790 -4.920 -6.386 1.00 0.00 O ATOM 437 CB ARG A 31 -4.659 -7.472 -7.042 1.00 0.00 C ATOM 438 CG ARG A 31 -5.290 -7.456 -8.424 1.00 0.00 C ATOM 439 CD ARG A 31 -4.286 -7.831 -9.503 1.00 0.00 C ATOM 440 NE ARG A 31 -4.111 -9.278 -9.608 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.064 -9.858 -10.190 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.096 -9.120 -10.720 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.983 -11.181 -10.241 1.00 0.00 N ATOM 0 H ARG A 31 -6.774 -6.139 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.578 -6.325 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.594 -7.681 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.092 -8.288 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.129 -8.151 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.692 -6.464 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.620 -7.436 -10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.326 -7.365 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.834 -9.879 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.152 -8.102 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.296 -9.571 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.723 -11.753 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.181 -11.626 -10.687 1.00 0.00 H new ATOM 457 N LEU A 32 -4.410 -4.367 -7.848 1.00 0.00 N ATOM 458 CA LEU A 32 -3.628 -3.310 -8.478 1.00 0.00 C ATOM 459 C LEU A 32 -3.276 -2.223 -7.470 1.00 0.00 C ATOM 460 O LEU A 32 -2.148 -1.730 -7.438 1.00 0.00 O ATOM 461 CB LEU A 32 -4.400 -2.704 -9.652 1.00 0.00 C ATOM 462 CG LEU A 32 -4.189 -3.405 -10.993 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.380 -3.174 -11.910 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.906 -2.923 -11.651 1.00 0.00 C ATOM 0 H LEU A 32 -5.343 -4.494 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.703 -3.749 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.464 -2.719 -9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.111 -1.658 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.100 -4.476 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.211 -3.681 -12.860 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.281 -3.570 -11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.502 -2.105 -12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.772 -3.433 -12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.965 -1.848 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.059 -3.142 -11.001 1.00 0.00 H new ATOM 476 N TYR A 33 -4.248 -1.860 -6.644 1.00 0.00 N ATOM 477 CA TYR A 33 -4.046 -0.836 -5.626 1.00 0.00 C ATOM 478 C TYR A 33 -3.173 -1.363 -4.492 1.00 0.00 C ATOM 479 O TYR A 33 -2.547 -0.591 -3.767 1.00 0.00 O ATOM 480 CB TYR A 33 -5.392 -0.365 -5.073 1.00 0.00 C ATOM 481 CG TYR A 33 -5.305 0.916 -4.273 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.788 0.918 -2.984 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.738 2.122 -4.809 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.707 2.087 -2.249 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.659 3.294 -4.082 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.143 3.271 -2.803 1.00 0.00 C ATOM 487 OH TYR A 33 -5.064 4.437 -2.076 1.00 0.00 O ATOM 0 H TYR A 33 -5.186 -2.260 -6.659 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.537 0.009 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.085 -0.219 -5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.810 -1.149 -4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.444 -0.008 -2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.143 2.144 -5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.304 2.072 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.000 4.224 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.412 5.181 -2.611 1.00 0.00 H new ATOM 497 N GLU A 34 -3.135 -2.685 -4.344 1.00 0.00 N ATOM 498 CA GLU A 34 -2.338 -3.315 -3.299 1.00 0.00 C ATOM 499 C GLU A 34 -0.907 -3.553 -3.772 1.00 0.00 C ATOM 500 O GLU A 34 0.024 -3.593 -2.967 1.00 0.00 O ATOM 501 CB GLU A 34 -2.974 -4.639 -2.874 1.00 0.00 C ATOM 502 CG GLU A 34 -3.940 -4.503 -1.708 1.00 0.00 C ATOM 503 CD GLU A 34 -4.293 -5.839 -1.083 1.00 0.00 C ATOM 504 OE1 GLU A 34 -4.426 -6.828 -1.835 1.00 0.00 O ATOM 505 OE2 GLU A 34 -4.436 -5.896 0.156 1.00 0.00 O ATOM 0 H GLU A 34 -3.647 -3.339 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.310 -2.641 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.503 -5.068 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.185 -5.341 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.499 -3.857 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.852 -4.015 -2.052 1.00 0.00 H new ATOM 512 N GLU A 35 -0.738 -3.712 -5.081 1.00 0.00 N ATOM 513 CA GLU A 35 0.581 -3.946 -5.659 1.00 0.00 C ATOM 514 C GLU A 35 1.544 -2.818 -5.300 1.00 0.00 C ATOM 515 O GLU A 35 2.677 -3.064 -4.887 1.00 0.00 O ATOM 516 CB GLU A 35 0.479 -4.078 -7.180 1.00 0.00 C ATOM 517 CG GLU A 35 0.122 -5.480 -7.646 1.00 0.00 C ATOM 518 CD GLU A 35 1.343 -6.299 -8.015 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.254 -6.420 -7.170 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.386 -6.822 -9.149 1.00 0.00 O ATOM 0 H GLU A 35 -1.497 -3.683 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 35 0.969 -4.876 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.273 -3.379 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.430 -3.787 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.430 -5.992 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.541 -5.415 -8.508 1.00 0.00 H new ATOM 527 N VAL A 36 1.085 -1.581 -5.458 1.00 0.00 N ATOM 528 CA VAL A 36 1.906 -0.416 -5.150 1.00 0.00 C ATOM 529 C VAL A 36 2.328 -0.416 -3.684 1.00 0.00 C ATOM 530 O VAL A 36 3.447 -0.030 -3.350 1.00 0.00 O ATOM 531 CB VAL A 36 1.160 0.895 -5.458 1.00 0.00 C ATOM 532 CG1 VAL A 36 0.905 1.028 -6.951 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.143 0.965 -4.677 1.00 0.00 C ATOM 0 H VAL A 36 0.149 -1.360 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 36 2.792 -0.476 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 36 1.788 1.730 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.377 1.961 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.856 1.030 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.299 0.189 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.656 1.899 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.779 0.124 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.070 0.923 -3.609 1.00 0.00 H new ATOM 543 N MET A 37 1.423 -0.851 -2.813 1.00 0.00 N ATOM 544 CA MET A 37 1.701 -0.901 -1.383 1.00 0.00 C ATOM 545 C MET A 37 2.828 -1.884 -1.083 1.00 0.00 C ATOM 546 O MET A 37 3.594 -1.696 -0.137 1.00 0.00 O ATOM 547 CB MET A 37 0.442 -1.300 -0.611 1.00 0.00 C ATOM 548 CG MET A 37 -0.442 -0.121 -0.237 1.00 0.00 C ATOM 549 SD MET A 37 -0.243 0.378 1.485 1.00 0.00 S ATOM 550 CE MET A 37 -1.583 -0.526 2.257 1.00 0.00 C ATOM 0 H MET A 37 0.491 -1.174 -3.073 1.00 0.00 H new ATOM 0 HA MET A 37 2.015 0.093 -1.064 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.137 -2.001 -1.213 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.735 -1.827 0.297 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.208 0.723 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.485 -0.382 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.592 -0.320 3.327 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.532 -0.214 1.820 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.442 -1.595 2.094 1.00 0.00 H new ATOM 560 N LEU A 38 2.924 -2.932 -1.894 1.00 0.00 N ATOM 561 CA LEU A 38 3.957 -3.945 -1.715 1.00 0.00 C ATOM 562 C LEU A 38 5.346 -3.347 -1.916 1.00 0.00 C ATOM 563 O LEU A 38 6.302 -3.734 -1.243 1.00 0.00 O ATOM 564 CB LEU A 38 3.741 -5.102 -2.694 1.00 0.00 C ATOM 565 CG LEU A 38 2.435 -5.875 -2.503 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.226 -6.857 -3.644 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.439 -6.601 -1.166 1.00 0.00 C ATOM 0 H LEU A 38 2.299 -3.102 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 38 3.888 -4.323 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.767 -4.708 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.575 -5.798 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 38 1.608 -5.165 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.292 -7.398 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.181 -6.314 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.055 -7.564 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.503 -7.146 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.274 -7.301 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.543 -5.876 -0.359 1.00 0.00 H new ATOM 579 N GLU A 39 5.451 -2.402 -2.843 1.00 0.00 N ATOM 580 CA GLU A 39 6.723 -1.749 -3.130 1.00 0.00 C ATOM 581 C GLU A 39 6.824 -0.408 -2.408 1.00 0.00 C ATOM 582 O GLU A 39 7.527 0.497 -2.856 1.00 0.00 O ATOM 583 CB GLU A 39 6.887 -1.547 -4.638 1.00 0.00 C ATOM 584 CG GLU A 39 7.888 -2.498 -5.274 1.00 0.00 C ATOM 585 CD GLU A 39 7.888 -2.416 -6.788 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.869 -1.976 -7.359 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.909 -2.793 -7.403 1.00 0.00 O ATOM 0 H GLU A 39 4.670 -2.071 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 39 7.524 -2.394 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.918 -1.676 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.203 -0.521 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.887 -2.271 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.658 -3.519 -4.969 1.00 0.00 H new ATOM 594 N THR A 40 6.115 -0.287 -1.289 1.00 0.00 N ATOM 595 CA THR A 40 6.126 0.943 -0.507 1.00 0.00 C ATOM 596 C THR A 40 5.594 0.697 0.901 1.00 0.00 C ATOM 597 O THR A 40 4.963 1.568 1.498 1.00 0.00 O ATOM 598 CB THR A 40 5.289 2.021 -1.199 1.00 0.00 C ATOM 599 OG1 THR A 40 5.404 1.920 -2.606 1.00 0.00 O ATOM 600 CG2 THR A 40 5.684 3.428 -0.806 1.00 0.00 C ATOM 0 H THR A 40 5.526 -1.026 -0.905 1.00 0.00 H new ATOM 0 HA THR A 40 7.158 1.286 -0.432 1.00 0.00 H new ATOM 0 HB THR A 40 4.264 1.844 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.759 1.262 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.052 4.144 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.558 3.554 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.727 3.601 -1.072 1.00 0.00 H new ATOM 608 N TYR A 41 5.854 -0.496 1.426 1.00 0.00 N ATOM 609 CA TYR A 41 5.402 -0.856 2.765 1.00 0.00 C ATOM 610 C TYR A 41 6.252 -1.983 3.343 1.00 0.00 C ATOM 611 O TYR A 41 6.680 -1.923 4.496 1.00 0.00 O ATOM 612 CB TYR A 41 3.932 -1.278 2.734 1.00 0.00 C ATOM 613 CG TYR A 41 3.349 -1.544 4.103 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.137 -0.506 5.003 1.00 0.00 C ATOM 615 CD2 TYR A 41 3.010 -2.832 4.496 1.00 0.00 C ATOM 616 CE1 TYR A 41 2.605 -0.745 6.255 1.00 0.00 C ATOM 617 CE2 TYR A 41 2.477 -3.080 5.748 1.00 0.00 C ATOM 618 CZ TYR A 41 2.277 -2.033 6.623 1.00 0.00 C ATOM 619 OH TYR A 41 1.747 -2.276 7.869 1.00 0.00 O ATOM 0 H TYR A 41 6.375 -1.229 0.945 1.00 0.00 H new ATOM 0 HA TYR A 41 5.509 0.021 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.349 -0.497 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.834 -2.177 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.393 0.504 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.165 -3.654 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.447 0.073 6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.219 -4.088 6.039 1.00 0.00 H new ATOM 0 HH TYR A 41 1.571 -3.235 7.968 1.00 0.00 H new ATOM 629 N GLN A 42 6.494 -3.009 2.534 1.00 0.00 N ATOM 630 CA GLN A 42 7.294 -4.151 2.965 1.00 0.00 C ATOM 631 C GLN A 42 8.770 -3.931 2.650 1.00 0.00 C ATOM 632 O GLN A 42 9.646 -4.412 3.368 1.00 0.00 O ATOM 633 CB GLN A 42 6.800 -5.431 2.289 1.00 0.00 C ATOM 634 CG GLN A 42 5.721 -6.157 3.076 1.00 0.00 C ATOM 635 CD GLN A 42 4.877 -7.068 2.207 1.00 0.00 C ATOM 636 OE1 GLN A 42 5.402 -7.839 1.402 1.00 0.00 O ATOM 637 NE2 GLN A 42 3.561 -6.984 2.364 1.00 0.00 N ATOM 0 H GLN A 42 6.148 -3.074 1.577 1.00 0.00 H new ATOM 0 HA GLN A 42 7.184 -4.254 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.413 -5.184 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.645 -6.103 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.187 -6.745 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.076 -5.425 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.169 -6.331 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.942 -7.572 1.806 1.00 0.00 H new ATOM 646 N ASN A 43 9.037 -3.202 1.571 1.00 0.00 N ATOM 647 CA ASN A 43 10.409 -2.919 1.161 1.00 0.00 C ATOM 648 C ASN A 43 10.930 -1.635 1.808 1.00 0.00 C ATOM 649 O ASN A 43 12.102 -1.290 1.658 1.00 0.00 O ATOM 650 CB ASN A 43 10.493 -2.806 -0.362 1.00 0.00 C ATOM 651 CG ASN A 43 10.404 -4.154 -1.048 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.392 -4.658 -1.584 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.217 -4.748 -1.034 1.00 0.00 N ATOM 0 H ASN A 43 8.323 -2.797 0.965 1.00 0.00 H new ATOM 0 HA ASN A 43 11.035 -3.746 1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.688 -2.165 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.431 -2.323 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.097 -5.658 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.425 -4.294 -0.578 1.00 0.00 H new ATOM 660 N LEU A 44 10.058 -0.930 2.525 1.00 0.00 N ATOM 661 CA LEU A 44 10.440 0.312 3.188 1.00 0.00 C ATOM 662 C LEU A 44 11.600 0.081 4.153 1.00 0.00 C ATOM 663 O LEU A 44 12.643 0.728 4.050 1.00 0.00 O ATOM 664 CB LEU A 44 9.246 0.901 3.942 1.00 0.00 C ATOM 665 CG LEU A 44 8.081 1.349 3.058 1.00 0.00 C ATOM 666 CD1 LEU A 44 6.987 1.985 3.902 1.00 0.00 C ATOM 667 CD2 LEU A 44 8.564 2.318 1.991 1.00 0.00 C ATOM 0 H LEU A 44 9.083 -1.198 2.661 1.00 0.00 H new ATOM 0 HA LEU A 44 10.762 1.018 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.880 0.158 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.589 1.755 4.525 1.00 0.00 H new ATOM 0 HG LEU A 44 7.666 0.471 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.166 2.298 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.621 1.260 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.389 2.853 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.722 2.626 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.004 3.194 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.313 1.829 1.368 1.00 0.00 H new ATOM 679 N THR A 45 11.411 -0.846 5.089 1.00 0.00 N ATOM 680 CA THR A 45 12.441 -1.167 6.076 1.00 0.00 C ATOM 681 C THR A 45 12.603 -0.046 7.102 1.00 0.00 C ATOM 682 O THR A 45 13.518 -0.079 7.926 1.00 0.00 O ATOM 683 CB THR A 45 13.780 -1.429 5.383 1.00 0.00 C ATOM 684 OG1 THR A 45 13.598 -2.216 4.220 1.00 0.00 O ATOM 685 CG2 THR A 45 14.783 -2.138 6.266 1.00 0.00 C ATOM 0 H THR A 45 10.553 -1.389 5.185 1.00 0.00 H new ATOM 0 HA THR A 45 12.123 -2.067 6.602 1.00 0.00 H new ATOM 0 HB THR A 45 14.173 -0.443 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.465 -2.371 3.791 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.709 -2.292 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.984 -1.531 7.149 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.379 -3.103 6.574 1.00 0.00 H new ATOM 693 N ASP A 46 11.715 0.942 7.053 1.00 0.00 N ATOM 694 CA ASP A 46 11.769 2.064 7.983 1.00 0.00 C ATOM 695 C ASP A 46 10.425 2.781 8.049 1.00 0.00 C ATOM 696 O ASP A 46 10.179 3.732 7.306 1.00 0.00 O ATOM 697 CB ASP A 46 12.865 3.046 7.565 1.00 0.00 C ATOM 698 CG ASP A 46 13.044 4.172 8.566 1.00 0.00 C ATOM 699 OD1 ASP A 46 12.744 3.958 9.759 1.00 0.00 O ATOM 700 OD2 ASP A 46 13.485 5.265 8.156 1.00 0.00 O ATOM 0 H ASP A 46 10.950 0.988 6.380 1.00 0.00 H new ATOM 0 HA ASP A 46 12.000 1.673 8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.807 2.509 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.620 3.466 6.589 1.00 0.00 H new ATOM 705 N ILE A 47 9.556 2.320 8.943 1.00 0.00 N ATOM 706 CA ILE A 47 8.236 2.917 9.106 1.00 0.00 C ATOM 707 C ILE A 47 8.099 3.585 10.470 1.00 0.00 C ATOM 708 O ILE A 47 7.038 3.538 11.093 1.00 0.00 O ATOM 709 CB ILE A 47 7.118 1.866 8.945 1.00 0.00 C ATOM 710 CG1 ILE A 47 7.399 0.966 7.741 1.00 0.00 C ATOM 711 CG2 ILE A 47 5.767 2.550 8.797 1.00 0.00 C ATOM 712 CD1 ILE A 47 6.489 -0.241 7.663 1.00 0.00 C ATOM 0 H ILE A 47 9.743 1.534 9.566 1.00 0.00 H new ATOM 0 HA ILE A 47 8.131 3.669 8.324 1.00 0.00 H new ATOM 0 HB ILE A 47 7.095 1.244 9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.292 1.551 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.434 0.628 7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.988 1.796 8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.565 3.151 9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.779 3.193 7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.745 -0.834 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.613 -0.848 8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.453 0.089 7.588 1.00 0.00 H new ATOM 724 N GLY A 48 9.180 4.206 10.930 1.00 0.00 N ATOM 725 CA GLY A 48 9.161 4.874 12.218 1.00 0.00 C ATOM 726 C GLY A 48 8.829 3.929 13.356 1.00 0.00 C ATOM 727 O GLY A 48 8.896 2.710 13.199 1.00 0.00 O ATOM 0 H GLY A 48 10.069 4.259 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.133 5.331 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.429 5.681 12.195 1.00 0.00 H new ATOM 731 N TYR A 49 8.471 4.492 14.506 1.00 0.00 N ATOM 732 CA TYR A 49 8.128 3.691 15.675 1.00 0.00 C ATOM 733 C TYR A 49 6.615 3.544 15.814 1.00 0.00 C ATOM 734 O TYR A 49 6.100 3.344 16.914 1.00 0.00 O ATOM 735 CB TYR A 49 8.707 4.326 16.940 1.00 0.00 C ATOM 736 CG TYR A 49 9.162 3.318 17.972 1.00 0.00 C ATOM 737 CD1 TYR A 49 10.354 2.624 17.815 1.00 0.00 C ATOM 738 CD2 TYR A 49 8.396 3.060 19.102 1.00 0.00 C ATOM 739 CE1 TYR A 49 10.772 1.702 18.756 1.00 0.00 C ATOM 740 CE2 TYR A 49 8.807 2.139 20.047 1.00 0.00 C ATOM 741 CZ TYR A 49 9.995 1.463 19.869 1.00 0.00 C ATOM 742 OH TYR A 49 10.408 0.545 20.808 1.00 0.00 O ATOM 0 H TYR A 49 8.411 5.500 14.653 1.00 0.00 H new ATOM 0 HA TYR A 49 8.559 2.699 15.542 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.552 4.958 16.665 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.955 4.976 17.387 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.965 2.808 16.943 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.464 3.588 19.244 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.703 1.171 18.620 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.200 1.950 20.920 1.00 0.00 H new ATOM 0 HH TYR A 49 9.748 0.496 21.530 1.00 0.00 H new ATOM 752 N ASN A 50 5.907 3.642 14.692 1.00 0.00 N ATOM 753 CA ASN A 50 4.453 3.518 14.686 1.00 0.00 C ATOM 754 C ASN A 50 3.819 4.403 15.757 1.00 0.00 C ATOM 755 O ASN A 50 3.046 3.931 16.591 1.00 0.00 O ATOM 756 CB ASN A 50 4.049 2.059 14.903 1.00 0.00 C ATOM 757 CG ASN A 50 2.697 1.735 14.300 1.00 0.00 C ATOM 758 OD1 ASN A 50 2.595 0.934 13.371 1.00 0.00 O ATOM 759 ND2 ASN A 50 1.648 2.359 14.824 1.00 0.00 N ATOM 0 H ASN A 50 6.318 3.807 13.773 1.00 0.00 H new ATOM 0 HA ASN A 50 4.089 3.850 13.714 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.804 1.407 14.464 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.027 1.847 15.972 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.713 2.181 14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.777 3.016 15.594 1.00 0.00 H new ATOM 766 N TRP A 51 4.152 5.689 15.728 1.00 0.00 N ATOM 767 CA TRP A 51 3.615 6.639 16.696 1.00 0.00 C ATOM 768 C TRP A 51 2.546 7.527 16.062 1.00 0.00 C ATOM 769 O TRP A 51 2.246 8.608 16.568 1.00 0.00 O ATOM 770 CB TRP A 51 4.739 7.506 17.265 1.00 0.00 C ATOM 771 CG TRP A 51 5.446 8.314 16.222 1.00 0.00 C ATOM 772 CD1 TRP A 51 6.484 7.907 15.434 1.00 0.00 C ATOM 773 CD2 TRP A 51 5.169 9.670 15.853 1.00 0.00 C ATOM 774 NE1 TRP A 51 6.868 8.926 14.597 1.00 0.00 N ATOM 775 CE2 TRP A 51 6.076 10.018 14.834 1.00 0.00 C ATOM 776 CE3 TRP A 51 4.240 10.623 16.283 1.00 0.00 C ATOM 777 CZ2 TRP A 51 6.081 11.279 14.241 1.00 0.00 C ATOM 778 CZ3 TRP A 51 4.247 11.873 15.693 1.00 0.00 C ATOM 779 CH2 TRP A 51 5.162 12.191 14.682 1.00 0.00 C ATOM 0 H TRP A 51 4.791 6.097 15.045 1.00 0.00 H new ATOM 0 HA TRP A 51 3.154 6.071 17.504 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.326 8.178 18.017 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.462 6.866 17.771 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.937 6.927 15.464 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.621 8.877 13.910 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.530 10.387 17.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.785 11.527 13.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.535 12.617 16.017 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.142 13.177 14.241 1.00 0.00 H new ATOM 790 N GLN A 52 1.975 7.065 14.952 1.00 0.00 N ATOM 791 CA GLN A 52 0.941 7.822 14.255 1.00 0.00 C ATOM 792 C GLN A 52 -0.449 7.310 14.619 1.00 0.00 C ATOM 793 O GLN A 52 -0.903 6.294 14.096 1.00 0.00 O ATOM 794 CB GLN A 52 1.150 7.735 12.742 1.00 0.00 C ATOM 795 CG GLN A 52 2.440 8.384 12.268 1.00 0.00 C ATOM 796 CD GLN A 52 2.838 7.940 10.873 1.00 0.00 C ATOM 797 OE1 GLN A 52 2.388 8.506 9.877 1.00 0.00 O ATOM 798 NE2 GLN A 52 3.685 6.920 10.796 1.00 0.00 N ATOM 0 H GLN A 52 2.211 6.173 14.518 1.00 0.00 H new ATOM 0 HA GLN A 52 1.016 8.864 14.567 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.149 6.687 12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.308 8.210 12.239 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.323 9.468 12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.242 8.141 12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.033 6.481 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.988 6.576 9.885 1.00 0.00 H new ATOM 807 N ASP A 53 -1.120 8.023 15.518 1.00 0.00 N ATOM 808 CA ASP A 53 -2.460 7.641 15.952 1.00 0.00 C ATOM 809 C ASP A 53 -3.108 8.756 16.765 1.00 0.00 C ATOM 810 O ASP A 53 -3.829 8.497 17.730 1.00 0.00 O ATOM 811 CB ASP A 53 -2.402 6.356 16.780 1.00 0.00 C ATOM 812 CG ASP A 53 -3.558 5.422 16.479 1.00 0.00 C ATOM 813 OD1 ASP A 53 -4.709 5.903 16.415 1.00 0.00 O ATOM 814 OD2 ASP A 53 -3.313 4.209 16.307 1.00 0.00 O ATOM 0 H ASP A 53 -0.758 8.868 15.960 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.067 7.466 15.064 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.462 5.842 16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.410 6.609 17.840 1.00 0.00 H new ATOM 819 N HIS A 54 -2.847 9.999 16.371 1.00 0.00 N ATOM 820 CA HIS A 54 -3.406 11.154 17.063 1.00 0.00 C ATOM 821 C HIS A 54 -2.950 11.190 18.519 1.00 0.00 C ATOM 822 O HIS A 54 -2.311 10.255 19.001 1.00 0.00 O ATOM 823 CB HIS A 54 -4.934 11.126 16.996 1.00 0.00 C ATOM 824 CG HIS A 54 -5.478 11.366 15.622 1.00 0.00 C ATOM 825 ND1 HIS A 54 -6.552 12.194 15.370 1.00 0.00 N ATOM 826 CD2 HIS A 54 -5.089 10.881 14.418 1.00 0.00 C ATOM 827 CE1 HIS A 54 -6.800 12.208 14.073 1.00 0.00 C ATOM 828 NE2 HIS A 54 -5.927 11.421 13.474 1.00 0.00 N ATOM 0 H HIS A 54 -2.252 10.231 15.576 1.00 0.00 H new ATOM 0 HA HIS A 54 -3.044 12.054 16.565 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.287 10.159 17.354 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -5.333 11.882 17.673 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.273 10.198 14.235 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.584 12.768 13.586 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.882 11.242 12.471 1.00 0.00 H new ATOM 836 N HIS A 55 -3.282 12.274 19.211 1.00 0.00 N ATOM 837 CA HIS A 55 -2.905 12.432 20.612 1.00 0.00 C ATOM 838 C HIS A 55 -4.075 12.096 21.532 1.00 0.00 C ATOM 839 O HIS A 55 -5.188 12.584 21.340 1.00 0.00 O ATOM 840 CB HIS A 55 -2.425 13.862 20.872 1.00 0.00 C ATOM 841 CG HIS A 55 -1.013 13.939 21.364 1.00 0.00 C ATOM 842 ND1 HIS A 55 -0.636 14.687 22.460 1.00 0.00 N ATOM 843 CD2 HIS A 55 0.119 13.355 20.903 1.00 0.00 C ATOM 844 CE1 HIS A 55 0.665 14.562 22.650 1.00 0.00 C ATOM 845 NE2 HIS A 55 1.146 13.758 21.720 1.00 0.00 N ATOM 0 H HIS A 55 -3.811 13.056 18.826 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.091 11.739 20.826 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.512 14.439 19.951 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.083 14.330 21.605 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.199 12.695 20.052 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.238 15.037 23.433 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.123 13.481 21.624 1.00 0.00 H new ATOM 853 N ILE A 56 -3.814 11.258 22.529 1.00 0.00 N ATOM 854 CA ILE A 56 -4.845 10.857 23.479 1.00 0.00 C ATOM 855 C ILE A 56 -4.242 10.552 24.848 1.00 0.00 C ATOM 856 O ILE A 56 -3.448 9.622 24.994 1.00 0.00 O ATOM 857 CB ILE A 56 -5.619 9.620 22.978 1.00 0.00 C ATOM 858 CG1 ILE A 56 -6.763 9.281 23.938 1.00 0.00 C ATOM 859 CG2 ILE A 56 -4.682 8.432 22.820 1.00 0.00 C ATOM 860 CD1 ILE A 56 -7.886 10.294 23.920 1.00 0.00 C ATOM 0 H ILE A 56 -2.898 10.843 22.700 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.537 11.694 23.571 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.046 9.851 22.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.164 8.301 23.681 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.367 9.207 24.951 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.245 7.569 22.466 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.902 8.677 22.099 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.226 8.198 23.782 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.661 9.990 24.623 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.499 11.272 24.207 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.308 10.351 22.917 1.00 0.00 H new ATOM 872 N GLU A 57 -4.625 11.341 25.846 1.00 0.00 N ATOM 873 CA GLU A 57 -4.123 11.156 27.203 1.00 0.00 C ATOM 874 C GLU A 57 -5.272 11.092 28.203 1.00 0.00 C ATOM 875 O GLU A 57 -5.514 10.055 28.822 1.00 0.00 O ATOM 876 CB GLU A 57 -3.170 12.293 27.576 1.00 0.00 C ATOM 877 CG GLU A 57 -2.267 11.968 28.755 1.00 0.00 C ATOM 878 CD GLU A 57 -3.033 11.848 30.059 1.00 0.00 C ATOM 879 OE1 GLU A 57 -3.553 12.877 30.538 1.00 0.00 O ATOM 880 OE2 GLU A 57 -3.110 10.725 30.600 1.00 0.00 O ATOM 0 H GLU A 57 -5.281 12.115 25.741 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.581 10.211 27.238 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.552 12.536 26.712 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.754 13.183 27.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.742 11.033 28.559 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.509 12.745 28.853 1.00 0.00 H new ATOM 887 N GLU A 58 -5.981 12.207 28.356 1.00 0.00 N ATOM 888 CA GLU A 58 -7.106 12.277 29.279 1.00 0.00 C ATOM 889 C GLU A 58 -8.424 12.411 28.521 1.00 0.00 C ATOM 890 O GLU A 58 -8.831 13.512 28.153 1.00 0.00 O ATOM 891 CB GLU A 58 -6.933 13.456 30.238 1.00 0.00 C ATOM 892 CG GLU A 58 -7.314 13.134 31.675 1.00 0.00 C ATOM 893 CD GLU A 58 -6.296 13.644 32.676 1.00 0.00 C ATOM 894 OE1 GLU A 58 -5.256 12.977 32.858 1.00 0.00 O ATOM 895 OE2 GLU A 58 -6.541 14.709 33.281 1.00 0.00 O ATOM 0 H GLU A 58 -5.795 13.074 27.852 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.131 11.351 29.854 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.894 13.785 30.212 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.541 14.290 29.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.287 13.573 31.896 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.418 12.055 31.786 1.00 0.00 H new ATOM 902 N SER A 59 -9.083 11.281 28.288 1.00 0.00 N ATOM 903 CA SER A 59 -10.354 11.270 27.573 1.00 0.00 C ATOM 904 C SER A 59 -11.415 12.063 28.330 1.00 0.00 C ATOM 905 O SER A 59 -12.265 12.715 27.725 1.00 0.00 O ATOM 906 CB SER A 59 -10.830 9.831 27.358 1.00 0.00 C ATOM 907 OG SER A 59 -11.319 9.646 26.041 1.00 0.00 O ATOM 0 H SER A 59 -8.758 10.361 28.584 1.00 0.00 H new ATOM 0 HA SER A 59 -10.199 11.743 26.603 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.007 9.141 27.544 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.614 9.593 28.077 1.00 0.00 H new ATOM 0 HG SER A 59 -11.615 8.718 25.929 1.00 0.00 H new ATOM 913 N GLY A 60 -11.359 12.001 29.656 1.00 0.00 N ATOM 914 CA GLY A 60 -12.321 12.717 30.472 1.00 0.00 C ATOM 915 C GLY A 60 -12.791 11.906 31.665 1.00 0.00 C ATOM 916 O GLY A 60 -12.014 11.145 32.243 1.00 0.00 O ATOM 0 H GLY A 60 -10.665 11.468 30.180 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.874 13.647 30.823 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.181 12.988 29.860 1.00 0.00 H new ATOM 920 N PRO A 61 -14.068 12.044 32.062 1.00 0.00 N ATOM 921 CA PRO A 61 -14.626 11.308 33.201 1.00 0.00 C ATOM 922 C PRO A 61 -14.347 9.810 33.117 1.00 0.00 C ATOM 923 O PRO A 61 -13.910 9.194 34.089 1.00 0.00 O ATOM 924 CB PRO A 61 -16.127 11.578 33.099 1.00 0.00 C ATOM 925 CG PRO A 61 -16.227 12.885 32.391 1.00 0.00 C ATOM 926 CD PRO A 61 -15.069 12.929 31.433 1.00 0.00 C ATOM 0 HA PRO A 61 -14.186 11.627 34.146 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.635 10.788 32.546 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.589 11.625 34.085 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.175 12.969 31.860 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.181 13.715 33.096 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -15.353 12.573 30.443 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.688 13.943 31.310 1.00 0.00 H new ATOM 934 N SER A 62 -14.602 9.231 31.949 1.00 0.00 N ATOM 935 CA SER A 62 -14.379 7.805 31.737 1.00 0.00 C ATOM 936 C SER A 62 -12.909 7.524 31.443 1.00 0.00 C ATOM 937 O SER A 62 -12.325 8.109 30.532 1.00 0.00 O ATOM 938 CB SER A 62 -15.247 7.297 30.587 1.00 0.00 C ATOM 939 OG SER A 62 -15.165 5.886 30.469 1.00 0.00 O ATOM 0 H SER A 62 -14.963 9.727 31.134 1.00 0.00 H new ATOM 0 HA SER A 62 -14.656 7.279 32.651 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.283 7.591 30.752 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.928 7.762 29.654 1.00 0.00 H new ATOM 0 HG SER A 62 -15.731 5.586 29.727 1.00 0.00 H new ATOM 945 N SER A 63 -12.317 6.624 32.222 1.00 0.00 N ATOM 946 CA SER A 63 -10.915 6.264 32.045 1.00 0.00 C ATOM 947 C SER A 63 -10.667 4.818 32.464 1.00 0.00 C ATOM 948 O SER A 63 -10.645 4.501 33.653 1.00 0.00 O ATOM 949 CB SER A 63 -10.020 7.207 32.854 1.00 0.00 C ATOM 950 OG SER A 63 -9.077 7.856 32.018 1.00 0.00 O ATOM 0 H SER A 63 -12.786 6.131 32.982 1.00 0.00 H new ATOM 0 HA SER A 63 -10.670 6.361 30.987 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.634 7.951 33.361 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.498 6.644 33.628 1.00 0.00 H new ATOM 0 HG SER A 63 -8.518 8.454 32.557 1.00 0.00 H new ATOM 956 N GLY A 64 -10.481 3.945 31.479 1.00 0.00 N ATOM 957 CA GLY A 64 -10.238 2.544 31.766 1.00 0.00 C ATOM 958 C GLY A 64 -9.569 1.825 30.612 1.00 0.00 C ATOM 959 O GLY A 64 -9.820 2.204 29.448 1.00 0.00 O ATOM 960 OXT GLY A 64 -8.793 0.880 30.870 1.00 0.00 O ATOM 0 H GLY A 64 -10.494 4.183 30.487 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.611 2.461 32.654 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.184 2.054 31.996 1.00 0.00 H new TER 964 GLY A 64