USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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+ -114:sc= 0.0623 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -164:sc= 0 (180deg=-0.316) USER MOD Single : A 8 ASN : amide:sc= -2.03 K(o=-2,f=-0.61) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.797 K(o=-0.8,f=-2.1) USER MOD Single : A 14 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.493 K(o=0.49,f=-4.7!) USER MOD Single : A 22 SER OG : rot 54:sc= -0.198 USER MOD Single : A 23 SER OG : rot -46:sc= 1.09 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0749) USER MOD Single : A 27 TYR OH : rot 50:sc= -0.902 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.0378 (180deg=-0.263) USER MOD Single : A 33 TYR OH : rot 132:sc= 1.87 USER MOD Single : A 34 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.3) USER MOD Single : A 35 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -26:sc= 0.277! USER MOD Single : A 53 THR OG1 : rot 10:sc= 1.02 USER MOD Single : A 54 SER OG : rot 65:sc= 0.0198 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= 0.234 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.270 15.589 -10.885 1.00 5.11 N ATOM 2 CA GLY A 1 31.597 14.864 -9.672 1.00 31.12 C ATOM 3 C GLY A 1 30.516 13.877 -9.277 1.00 23.12 C ATOM 4 O GLY A 1 29.396 13.913 -9.788 1.00 25.44 O ATOM 0 H1 GLY A 1 31.938 15.326 -11.637 1.00 5.11 H new ATOM 0 H2 GLY A 1 30.302 15.350 -11.182 1.00 5.11 H new ATOM 0 H3 GLY A 1 31.335 16.612 -10.706 1.00 5.11 H new ATOM 0 HA2 GLY A 1 32.537 14.331 -9.813 1.00 31.12 H new ATOM 0 HA3 GLY A 1 31.752 15.573 -8.859 1.00 31.12 H new ATOM 8 N PRO A 2 30.848 12.969 -8.348 1.00 21.32 N ATOM 9 CA PRO A 2 29.912 11.950 -7.864 1.00 40.44 C ATOM 10 C PRO A 2 28.790 12.547 -7.021 1.00 73.12 C ATOM 11 O PRO A 2 28.931 13.636 -6.465 1.00 33.32 O ATOM 12 CB PRO A 2 30.793 11.034 -7.012 1.00 42.11 C ATOM 13 CG PRO A 2 31.924 11.898 -6.572 1.00 42.41 C ATOM 14 CD PRO A 2 32.165 12.868 -7.696 1.00 22.15 C ATOM 0 HA PRO A 2 29.409 11.437 -8.684 1.00 40.44 H new ATOM 0 HB2 PRO A 2 30.243 10.637 -6.159 1.00 42.11 H new ATOM 0 HB3 PRO A 2 31.148 10.179 -7.588 1.00 42.11 H new ATOM 0 HG2 PRO A 2 31.678 12.423 -5.649 1.00 42.41 H new ATOM 0 HG3 PRO A 2 32.815 11.303 -6.372 1.00 42.41 H new ATOM 0 HD2 PRO A 2 32.505 13.835 -7.326 1.00 22.15 H new ATOM 0 HD3 PRO A 2 32.927 12.504 -8.385 1.00 22.15 H new ATOM 22 N SER A 3 27.677 11.827 -6.930 1.00 53.10 N ATOM 23 CA SER A 3 26.529 12.287 -6.156 1.00 71.33 C ATOM 24 C SER A 3 26.449 11.558 -4.819 1.00 22.14 C ATOM 25 O SER A 3 27.015 10.478 -4.651 1.00 21.44 O ATOM 26 CB SER A 3 25.237 12.073 -6.946 1.00 5.24 C ATOM 27 OG SER A 3 25.104 13.035 -7.979 1.00 12.02 O ATOM 0 H SER A 3 27.545 10.922 -7.383 1.00 53.10 H new ATOM 0 HA SER A 3 26.655 13.352 -5.962 1.00 71.33 H new ATOM 0 HB2 SER A 3 25.231 11.071 -7.375 1.00 5.24 H new ATOM 0 HB3 SER A 3 24.381 12.136 -6.274 1.00 5.24 H new ATOM 0 HG SER A 3 24.271 12.875 -8.470 1.00 12.02 H new ATOM 33 N THR A 4 25.739 12.158 -3.867 1.00 75.45 N ATOM 34 CA THR A 4 25.585 11.569 -2.543 1.00 55.42 C ATOM 35 C THR A 4 24.152 11.708 -2.044 1.00 5.42 C ATOM 36 O THR A 4 23.487 10.715 -1.751 1.00 11.34 O ATOM 37 CB THR A 4 26.538 12.220 -1.523 1.00 54.20 C ATOM 38 OG1 THR A 4 27.643 12.824 -2.202 1.00 73.44 O ATOM 39 CG2 THR A 4 27.049 11.190 -0.526 1.00 55.30 C ATOM 0 H THR A 4 25.262 13.051 -3.989 1.00 75.45 H new ATOM 0 HA THR A 4 25.834 10.512 -2.636 1.00 55.42 H new ATOM 0 HB THR A 4 25.985 12.985 -0.979 1.00 54.20 H new ATOM 0 HG1 THR A 4 28.243 13.237 -1.547 1.00 73.44 H new ATOM 0 HG21 THR A 4 27.720 11.673 0.184 1.00 55.30 H new ATOM 0 HG22 THR A 4 26.206 10.753 0.010 1.00 55.30 H new ATOM 0 HG23 THR A 4 27.587 10.405 -1.057 1.00 55.30 H new ATOM 47 N SER A 5 23.681 12.949 -1.949 1.00 14.43 N ATOM 48 CA SER A 5 22.326 13.218 -1.482 1.00 71.21 C ATOM 49 C SER A 5 21.399 13.528 -2.654 1.00 33.31 C ATOM 50 O SER A 5 21.628 14.474 -3.407 1.00 4.34 O ATOM 51 CB SER A 5 22.328 14.386 -0.495 1.00 44.15 C ATOM 52 OG SER A 5 22.506 13.930 0.835 1.00 44.44 O ATOM 0 H SER A 5 24.218 13.782 -2.189 1.00 14.43 H new ATOM 0 HA SER A 5 21.957 12.325 -0.977 1.00 71.21 H new ATOM 0 HB2 SER A 5 23.125 15.083 -0.753 1.00 44.15 H new ATOM 0 HB3 SER A 5 21.388 14.933 -0.572 1.00 44.15 H new ATOM 0 HG SER A 5 22.505 14.696 1.446 1.00 44.44 H new ATOM 58 N MET A 6 20.352 12.723 -2.800 1.00 3.10 N ATOM 59 CA MET A 6 19.388 12.911 -3.879 1.00 62.23 C ATOM 60 C MET A 6 18.062 12.235 -3.548 1.00 63.53 C ATOM 61 O MET A 6 18.030 11.217 -2.858 1.00 51.34 O ATOM 62 CB MET A 6 19.945 12.355 -5.192 1.00 24.44 C ATOM 63 CG MET A 6 18.930 12.337 -6.322 1.00 54.52 C ATOM 64 SD MET A 6 19.703 12.367 -7.951 1.00 60.31 S ATOM 65 CE MET A 6 19.219 13.993 -8.526 1.00 71.21 C ATOM 0 H MET A 6 20.149 11.935 -2.185 1.00 3.10 H new ATOM 0 HA MET A 6 19.211 13.981 -3.992 1.00 62.23 H new ATOM 0 HB2 MET A 6 20.804 12.954 -5.495 1.00 24.44 H new ATOM 0 HB3 MET A 6 20.307 11.341 -5.023 1.00 24.44 H new ATOM 0 HG2 MET A 6 18.311 11.444 -6.235 1.00 54.52 H new ATOM 0 HG3 MET A 6 18.267 13.196 -6.223 1.00 54.52 H new ATOM 0 HE1 MET A 6 19.368 14.057 -9.604 1.00 71.21 H new ATOM 0 HE2 MET A 6 18.167 14.163 -8.295 1.00 71.21 H new ATOM 0 HE3 MET A 6 19.826 14.750 -8.030 1.00 71.21 H new ATOM 75 N GLU A 7 16.970 12.809 -4.044 1.00 12.21 N ATOM 76 CA GLU A 7 15.642 12.260 -3.799 1.00 64.12 C ATOM 77 C GLU A 7 14.771 12.364 -5.048 1.00 51.42 C ATOM 78 O GLU A 7 13.559 12.164 -4.991 1.00 13.12 O ATOM 79 CB GLU A 7 14.971 12.992 -2.634 1.00 50.03 C ATOM 80 CG GLU A 7 15.289 12.392 -1.275 1.00 63.05 C ATOM 81 CD GLU A 7 15.003 13.349 -0.134 1.00 62.52 C ATOM 82 OE1 GLU A 7 13.964 14.040 -0.184 1.00 54.13 O ATOM 83 OE2 GLU A 7 15.819 13.407 0.809 1.00 65.53 O ATOM 0 H GLU A 7 16.979 13.653 -4.617 1.00 12.21 H new ATOM 0 HA GLU A 7 15.754 11.207 -3.542 1.00 64.12 H new ATOM 0 HB2 GLU A 7 15.284 14.036 -2.643 1.00 50.03 H new ATOM 0 HB3 GLU A 7 13.891 12.982 -2.783 1.00 50.03 H new ATOM 0 HG2 GLU A 7 14.704 11.483 -1.137 1.00 63.05 H new ATOM 0 HG3 GLU A 7 16.339 12.102 -1.247 1.00 63.05 H new ATOM 90 N ASN A 8 15.400 12.680 -6.176 1.00 24.25 N ATOM 91 CA ASN A 8 14.683 12.812 -7.439 1.00 62.53 C ATOM 92 C ASN A 8 15.466 12.166 -8.579 1.00 4.11 C ATOM 93 O ASN A 8 16.216 12.836 -9.288 1.00 52.45 O ATOM 94 CB ASN A 8 14.428 14.288 -7.753 1.00 15.41 C ATOM 95 CG ASN A 8 14.271 15.127 -6.500 1.00 35.53 C ATOM 96 OD1 ASN A 8 15.045 16.053 -6.259 1.00 44.13 O ATOM 97 ND2 ASN A 8 13.267 14.804 -5.693 1.00 71.10 N ATOM 0 H ASN A 8 16.404 12.849 -6.241 1.00 24.25 H new ATOM 0 HA ASN A 8 13.727 12.298 -7.341 1.00 62.53 H new ATOM 0 HB2 ASN A 8 15.254 14.678 -8.347 1.00 15.41 H new ATOM 0 HB3 ASN A 8 13.528 14.377 -8.362 1.00 15.41 H new ATOM 0 HD21 ASN A 8 13.113 15.332 -4.834 1.00 71.10 H new ATOM 0 HD22 ASN A 8 12.650 14.028 -5.932 1.00 71.10 H new ATOM 104 N LEU A 9 15.285 10.861 -8.748 1.00 24.44 N ATOM 105 CA LEU A 9 15.974 10.124 -9.801 1.00 33.34 C ATOM 106 C LEU A 9 15.147 10.106 -11.082 1.00 10.21 C ATOM 107 O LEU A 9 15.430 9.342 -12.005 1.00 41.11 O ATOM 108 CB LEU A 9 16.259 8.692 -9.345 1.00 75.42 C ATOM 109 CG LEU A 9 15.037 7.808 -9.100 1.00 4.53 C ATOM 110 CD1 LEU A 9 14.902 6.766 -10.200 1.00 21.34 C ATOM 111 CD2 LEU A 9 15.125 7.139 -7.736 1.00 62.04 C ATOM 0 H LEU A 9 14.667 10.292 -8.170 1.00 24.44 H new ATOM 0 HA LEU A 9 16.918 10.628 -10.006 1.00 33.34 H new ATOM 0 HB2 LEU A 9 16.885 8.211 -10.096 1.00 75.42 H new ATOM 0 HB3 LEU A 9 16.841 8.735 -8.425 1.00 75.42 H new ATOM 0 HG LEU A 9 14.148 8.439 -9.115 1.00 4.53 H new ATOM 0 HD11 LEU A 9 14.026 6.146 -10.008 1.00 21.34 H new ATOM 0 HD12 LEU A 9 14.789 7.265 -11.162 1.00 21.34 H new ATOM 0 HD13 LEU A 9 15.793 6.139 -10.219 1.00 21.34 H new ATOM 0 HD21 LEU A 9 14.246 6.514 -7.580 1.00 62.04 H new ATOM 0 HD22 LEU A 9 16.022 6.521 -7.691 1.00 62.04 H new ATOM 0 HD23 LEU A 9 15.170 7.902 -6.959 1.00 62.04 H new ATOM 123 N VAL A 10 14.125 10.954 -11.133 1.00 72.34 N ATOM 124 CA VAL A 10 13.259 11.039 -12.303 1.00 13.20 C ATOM 125 C VAL A 10 14.074 11.234 -13.577 1.00 12.14 C ATOM 126 O VAL A 10 13.661 10.817 -14.660 1.00 62.31 O ATOM 127 CB VAL A 10 12.248 12.193 -12.171 1.00 22.04 C ATOM 128 CG1 VAL A 10 12.970 13.531 -12.116 1.00 5.41 C ATOM 129 CG2 VAL A 10 11.251 12.162 -13.320 1.00 21.21 C ATOM 0 H VAL A 10 13.876 11.592 -10.377 1.00 72.34 H new ATOM 0 HA VAL A 10 12.716 10.096 -12.364 1.00 13.20 H new ATOM 0 HB VAL A 10 11.697 12.066 -11.239 1.00 22.04 H new ATOM 0 HG11 VAL A 10 12.240 14.335 -12.023 1.00 5.41 H new ATOM 0 HG12 VAL A 10 13.640 13.548 -11.256 1.00 5.41 H new ATOM 0 HG13 VAL A 10 13.548 13.670 -13.029 1.00 5.41 H new ATOM 0 HG21 VAL A 10 10.544 12.984 -13.211 1.00 21.21 H new ATOM 0 HG22 VAL A 10 11.783 12.264 -14.266 1.00 21.21 H new ATOM 0 HG23 VAL A 10 10.711 11.215 -13.308 1.00 21.21 H new ATOM 139 N SER A 11 15.233 11.869 -13.440 1.00 51.02 N ATOM 140 CA SER A 11 16.105 12.124 -14.580 1.00 14.22 C ATOM 141 C SER A 11 16.572 10.814 -15.210 1.00 1.14 C ATOM 142 O SER A 11 16.690 10.706 -16.431 1.00 31.01 O ATOM 143 CB SER A 11 17.314 12.955 -14.149 1.00 53.24 C ATOM 144 OG SER A 11 18.483 12.554 -14.844 1.00 33.24 O ATOM 0 H SER A 11 15.590 12.217 -12.550 1.00 51.02 H new ATOM 0 HA SER A 11 15.536 12.683 -15.323 1.00 14.22 H new ATOM 0 HB2 SER A 11 17.119 14.011 -14.337 1.00 53.24 H new ATOM 0 HB3 SER A 11 17.470 12.846 -13.076 1.00 53.24 H new ATOM 0 HG SER A 11 19.241 13.102 -14.552 1.00 33.24 H new ATOM 150 N LEU A 12 16.835 9.822 -14.367 1.00 73.30 N ATOM 151 CA LEU A 12 17.290 8.518 -14.839 1.00 43.33 C ATOM 152 C LEU A 12 16.185 7.475 -14.705 1.00 25.32 C ATOM 153 O LEU A 12 16.449 6.273 -14.711 1.00 40.14 O ATOM 154 CB LEU A 12 18.526 8.072 -14.055 1.00 44.45 C ATOM 155 CG LEU A 12 18.411 8.129 -12.532 1.00 54.04 C ATOM 156 CD1 LEU A 12 19.072 6.912 -11.901 1.00 51.51 C ATOM 157 CD2 LEU A 12 19.031 9.411 -11.998 1.00 62.34 C ATOM 0 H LEU A 12 16.741 9.895 -13.354 1.00 73.30 H new ATOM 0 HA LEU A 12 17.551 8.611 -15.893 1.00 43.33 H new ATOM 0 HB2 LEU A 12 18.765 7.048 -14.343 1.00 44.45 H new ATOM 0 HB3 LEU A 12 19.368 8.693 -14.359 1.00 44.45 H new ATOM 0 HG LEU A 12 17.354 8.122 -12.266 1.00 54.04 H new ATOM 0 HD11 LEU A 12 18.980 6.970 -10.816 1.00 51.51 H new ATOM 0 HD12 LEU A 12 18.583 6.006 -12.259 1.00 51.51 H new ATOM 0 HD13 LEU A 12 20.127 6.888 -12.175 1.00 51.51 H new ATOM 0 HD21 LEU A 12 18.940 9.434 -10.912 1.00 62.34 H new ATOM 0 HD22 LEU A 12 20.085 9.448 -12.275 1.00 62.34 H new ATOM 0 HD23 LEU A 12 18.513 10.270 -12.424 1.00 62.34 H new ATOM 169 N GLN A 13 14.947 7.944 -14.584 1.00 21.41 N ATOM 170 CA GLN A 13 13.802 7.052 -14.449 1.00 34.03 C ATOM 171 C GLN A 13 13.679 6.136 -15.664 1.00 43.42 C ATOM 172 O GLN A 13 13.039 5.088 -15.601 1.00 2.14 O ATOM 173 CB GLN A 13 12.516 7.860 -14.272 1.00 60.21 C ATOM 174 CG GLN A 13 11.538 7.239 -13.288 1.00 41.22 C ATOM 175 CD GLN A 13 10.378 8.158 -12.961 1.00 13.23 C ATOM 176 OE1 GLN A 13 10.033 9.045 -13.742 1.00 10.41 O ATOM 177 NE2 GLN A 13 9.767 7.951 -11.800 1.00 20.21 N ATOM 0 H GLN A 13 14.712 8.936 -14.577 1.00 21.41 H new ATOM 0 HA GLN A 13 13.958 6.434 -13.565 1.00 34.03 H new ATOM 0 HB2 GLN A 13 12.771 8.864 -13.933 1.00 60.21 H new ATOM 0 HB3 GLN A 13 12.027 7.965 -15.240 1.00 60.21 H new ATOM 0 HG2 GLN A 13 11.153 6.307 -13.703 1.00 41.22 H new ATOM 0 HG3 GLN A 13 12.065 6.984 -12.369 1.00 41.22 H new ATOM 0 HE21 GLN A 13 10.085 7.204 -11.182 1.00 20.21 H new ATOM 0 HE22 GLN A 13 8.979 8.539 -11.526 1.00 20.21 H new ATOM 186 N ASN A 14 14.296 6.542 -16.768 1.00 73.14 N ATOM 187 CA ASN A 14 14.255 5.760 -17.998 1.00 52.24 C ATOM 188 C ASN A 14 15.659 5.346 -18.428 1.00 61.33 C ATOM 189 O ASN A 14 16.011 4.166 -18.386 1.00 64.21 O ATOM 190 CB ASN A 14 13.584 6.561 -19.116 1.00 64.32 C ATOM 191 CG ASN A 14 12.101 6.263 -19.231 1.00 30.21 C ATOM 192 OD1 ASN A 14 11.704 5.259 -19.821 1.00 22.03 O ATOM 193 ND2 ASN A 14 11.276 7.137 -18.667 1.00 42.02 N ATOM 0 H ASN A 14 14.830 7.408 -16.836 1.00 73.14 H new ATOM 0 HA ASN A 14 13.672 4.859 -17.805 1.00 52.24 H new ATOM 0 HB2 ASN A 14 13.725 7.626 -18.931 1.00 64.32 H new ATOM 0 HB3 ASN A 14 14.072 6.335 -20.064 1.00 64.32 H new ATOM 0 HD21 ASN A 14 10.268 6.990 -18.713 1.00 42.02 H new ATOM 0 HD22 ASN A 14 11.650 7.956 -18.188 1.00 42.02 H new ATOM 200 N LEU A 15 16.459 6.324 -18.839 1.00 43.41 N ATOM 201 CA LEU A 15 17.825 6.063 -19.276 1.00 34.22 C ATOM 202 C LEU A 15 18.747 7.219 -18.902 1.00 55.12 C ATOM 203 O LEU A 15 18.498 8.368 -19.266 1.00 43.25 O ATOM 204 CB LEU A 15 17.864 5.832 -20.788 1.00 63.24 C ATOM 205 CG LEU A 15 17.888 4.374 -21.245 1.00 15.21 C ATOM 206 CD1 LEU A 15 16.510 3.943 -21.725 1.00 72.43 C ATOM 207 CD2 LEU A 15 18.924 4.175 -22.342 1.00 22.41 C ATOM 0 H LEU A 15 16.184 7.306 -18.879 1.00 43.41 H new ATOM 0 HA LEU A 15 18.176 5.164 -18.769 1.00 34.22 H new ATOM 0 HB2 LEU A 15 16.994 6.316 -21.232 1.00 63.24 H new ATOM 0 HB3 LEU A 15 18.746 6.332 -21.189 1.00 63.24 H new ATOM 0 HG LEU A 15 18.166 3.751 -20.395 1.00 15.21 H new ATOM 0 HD11 LEU A 15 16.546 2.902 -22.047 1.00 72.43 H new ATOM 0 HD12 LEU A 15 15.792 4.047 -20.911 1.00 72.43 H new ATOM 0 HD13 LEU A 15 16.203 4.571 -22.562 1.00 72.43 H new ATOM 0 HD21 LEU A 15 18.927 3.131 -22.655 1.00 22.41 H new ATOM 0 HD22 LEU A 15 18.678 4.808 -23.194 1.00 22.41 H new ATOM 0 HD23 LEU A 15 19.911 4.443 -21.964 1.00 22.41 H new ATOM 219 N LEU A 16 19.814 6.906 -18.174 1.00 62.15 N ATOM 220 CA LEU A 16 20.775 7.920 -17.752 1.00 50.45 C ATOM 221 C LEU A 16 21.461 8.555 -18.958 1.00 2.31 C ATOM 222 O LEU A 16 21.530 9.779 -19.072 1.00 73.10 O ATOM 223 CB LEU A 16 21.821 7.302 -16.824 1.00 71.52 C ATOM 224 CG LEU A 16 22.397 8.228 -15.751 1.00 70.41 C ATOM 225 CD1 LEU A 16 22.399 7.539 -14.396 1.00 24.22 C ATOM 226 CD2 LEU A 16 23.803 8.671 -16.127 1.00 53.33 C ATOM 0 H LEU A 16 20.035 5.960 -17.864 1.00 62.15 H new ATOM 0 HA LEU A 16 20.234 8.698 -17.214 1.00 50.45 H new ATOM 0 HB2 LEU A 16 21.375 6.439 -16.330 1.00 71.52 H new ATOM 0 HB3 LEU A 16 22.644 6.929 -17.434 1.00 71.52 H new ATOM 0 HG LEU A 16 21.764 9.113 -15.685 1.00 70.41 H new ATOM 0 HD11 LEU A 16 22.812 8.213 -13.646 1.00 24.22 H new ATOM 0 HD12 LEU A 16 21.378 7.273 -14.122 1.00 24.22 H new ATOM 0 HD13 LEU A 16 23.008 6.637 -14.448 1.00 24.22 H new ATOM 0 HD21 LEU A 16 24.197 9.329 -15.352 1.00 53.33 H new ATOM 0 HD22 LEU A 16 24.447 7.797 -16.222 1.00 53.33 H new ATOM 0 HD23 LEU A 16 23.774 9.205 -17.077 1.00 53.33 H new ATOM 238 N VAL A 17 21.964 7.716 -19.857 1.00 33.45 N ATOM 239 CA VAL A 17 22.641 8.195 -21.056 1.00 72.12 C ATOM 240 C VAL A 17 23.897 8.983 -20.700 1.00 55.20 C ATOM 241 O VAL A 17 24.053 9.446 -19.570 1.00 10.12 O ATOM 242 CB VAL A 17 21.715 9.084 -21.906 1.00 32.13 C ATOM 243 CG1 VAL A 17 22.190 9.123 -23.351 1.00 74.31 C ATOM 244 CG2 VAL A 17 20.279 8.589 -21.822 1.00 42.35 C ATOM 0 H VAL A 17 21.915 6.700 -19.778 1.00 33.45 H new ATOM 0 HA VAL A 17 22.919 7.315 -21.635 1.00 72.12 H new ATOM 0 HB VAL A 17 21.750 10.099 -21.510 1.00 32.13 H new ATOM 0 HG11 VAL A 17 21.523 9.756 -23.936 1.00 74.31 H new ATOM 0 HG12 VAL A 17 23.202 9.527 -23.391 1.00 74.31 H new ATOM 0 HG13 VAL A 17 22.186 8.114 -23.763 1.00 74.31 H new ATOM 0 HG21 VAL A 17 19.638 9.228 -22.428 1.00 42.35 H new ATOM 0 HG22 VAL A 17 20.225 7.565 -22.192 1.00 42.35 H new ATOM 0 HG23 VAL A 17 19.944 8.618 -20.785 1.00 42.35 H new ATOM 254 N TYR A 18 24.790 9.133 -21.672 1.00 73.32 N ATOM 255 CA TYR A 18 26.035 9.863 -21.461 1.00 5.35 C ATOM 256 C TYR A 18 25.787 11.369 -21.452 1.00 2.13 C ATOM 257 O TYR A 18 26.403 12.106 -20.683 1.00 63.13 O ATOM 258 CB TYR A 18 27.049 9.509 -22.549 1.00 13.11 C ATOM 259 CG TYR A 18 26.616 9.920 -23.938 1.00 73.30 C ATOM 260 CD1 TYR A 18 25.874 9.060 -24.739 1.00 2.31 C ATOM 261 CD2 TYR A 18 26.949 11.168 -24.450 1.00 72.03 C ATOM 262 CE1 TYR A 18 25.477 9.431 -26.009 1.00 44.31 C ATOM 263 CE2 TYR A 18 26.555 11.548 -25.719 1.00 32.52 C ATOM 264 CZ TYR A 18 25.819 10.676 -26.494 1.00 52.43 C ATOM 265 OH TYR A 18 25.426 11.050 -27.758 1.00 44.52 O ATOM 0 H TYR A 18 24.675 8.759 -22.614 1.00 73.32 H new ATOM 0 HA TYR A 18 26.438 9.572 -20.491 1.00 5.35 H new ATOM 0 HB2 TYR A 18 28.000 9.989 -22.317 1.00 13.11 H new ATOM 0 HB3 TYR A 18 27.223 8.433 -22.535 1.00 13.11 H new ATOM 0 HD1 TYR A 18 25.603 8.085 -24.362 1.00 2.31 H new ATOM 0 HD2 TYR A 18 27.526 11.853 -23.846 1.00 72.03 H new ATOM 0 HE1 TYR A 18 24.902 8.750 -26.619 1.00 44.31 H new ATOM 0 HE2 TYR A 18 26.822 12.522 -26.102 1.00 32.52 H new ATOM 0 HH TYR A 18 25.747 11.957 -27.946 1.00 44.52 H new ATOM 275 N VAL A 19 24.879 11.818 -22.312 1.00 54.34 N ATOM 276 CA VAL A 19 24.547 13.235 -22.403 1.00 32.30 C ATOM 277 C VAL A 19 23.656 13.666 -21.244 1.00 3.11 C ATOM 278 O VAL A 19 23.632 14.837 -20.868 1.00 30.52 O ATOM 279 CB VAL A 19 23.838 13.561 -23.731 1.00 23.05 C ATOM 280 CG1 VAL A 19 22.506 12.831 -23.819 1.00 32.42 C ATOM 281 CG2 VAL A 19 23.641 15.062 -23.875 1.00 60.53 C ATOM 0 H VAL A 19 24.360 11.221 -22.956 1.00 54.34 H new ATOM 0 HA VAL A 19 25.487 13.784 -22.358 1.00 32.30 H new ATOM 0 HB VAL A 19 24.468 13.219 -24.552 1.00 23.05 H new ATOM 0 HG11 VAL A 19 22.020 13.074 -24.764 1.00 32.42 H new ATOM 0 HG12 VAL A 19 22.676 11.756 -23.764 1.00 32.42 H new ATOM 0 HG13 VAL A 19 21.866 13.140 -22.992 1.00 32.42 H new ATOM 0 HG21 VAL A 19 23.139 15.274 -24.819 1.00 60.53 H new ATOM 0 HG22 VAL A 19 23.032 15.430 -23.049 1.00 60.53 H new ATOM 0 HG23 VAL A 19 24.611 15.559 -23.860 1.00 60.53 H new ATOM 291 N ASN A 20 22.922 12.710 -20.682 1.00 63.41 N ATOM 292 CA ASN A 20 22.028 12.991 -19.564 1.00 42.14 C ATOM 293 C ASN A 20 20.972 14.019 -19.958 1.00 3.43 C ATOM 294 O ASN A 20 21.028 14.597 -21.044 1.00 3.45 O ATOM 295 CB ASN A 20 22.826 13.499 -18.361 1.00 11.23 C ATOM 296 CG ASN A 20 22.262 13.003 -17.043 1.00 4.13 C ATOM 297 OD1 ASN A 20 21.079 12.678 -16.944 1.00 0.53 O ATOM 298 ND2 ASN A 20 23.109 12.943 -16.022 1.00 52.24 N ATOM 0 H ASN A 20 22.929 11.735 -20.982 1.00 63.41 H new ATOM 0 HA ASN A 20 21.524 12.064 -19.292 1.00 42.14 H new ATOM 0 HB2 ASN A 20 23.863 13.177 -18.454 1.00 11.23 H new ATOM 0 HB3 ASN A 20 22.830 14.589 -18.365 1.00 11.23 H new ATOM 0 HD21 ASN A 20 22.787 12.617 -15.111 1.00 52.24 H new ATOM 0 HD22 ASN A 20 24.082 13.222 -16.149 1.00 52.24 H new ATOM 305 N TRP A 21 20.010 14.241 -19.069 1.00 51.11 N ATOM 306 CA TRP A 21 18.940 15.199 -19.323 1.00 70.24 C ATOM 307 C TRP A 21 18.101 14.773 -20.523 1.00 51.20 C ATOM 308 O TRP A 21 17.051 14.149 -20.367 1.00 44.45 O ATOM 309 CB TRP A 21 19.524 16.593 -19.563 1.00 1.25 C ATOM 310 CG TRP A 21 18.536 17.556 -20.150 1.00 40.04 C ATOM 311 CD1 TRP A 21 17.389 18.012 -19.567 1.00 74.13 C ATOM 312 CD2 TRP A 21 18.610 18.180 -21.437 1.00 55.04 C ATOM 313 NE1 TRP A 21 16.745 18.882 -20.413 1.00 53.52 N ATOM 314 CE2 TRP A 21 17.474 19.002 -21.567 1.00 53.41 C ATOM 315 CE3 TRP A 21 19.526 18.126 -22.491 1.00 55.22 C ATOM 316 CZ2 TRP A 21 17.231 19.761 -22.709 1.00 12.32 C ATOM 317 CZ3 TRP A 21 19.284 18.879 -23.624 1.00 1.14 C ATOM 318 CH2 TRP A 21 18.144 19.689 -23.725 1.00 73.13 C ATOM 0 H TRP A 21 19.949 13.771 -18.166 1.00 51.11 H new ATOM 0 HA TRP A 21 18.295 15.228 -18.445 1.00 70.24 H new ATOM 0 HB2 TRP A 21 19.893 16.992 -18.618 1.00 1.25 H new ATOM 0 HB3 TRP A 21 20.381 16.510 -20.231 1.00 1.25 H new ATOM 0 HD1 TRP A 21 17.039 17.730 -18.585 1.00 74.13 H new ATOM 0 HE1 TRP A 21 15.867 19.361 -20.214 1.00 53.52 H new ATOM 0 HE3 TRP A 21 20.408 17.506 -22.421 1.00 55.22 H new ATOM 0 HZ2 TRP A 21 16.353 20.384 -22.790 1.00 12.32 H new ATOM 0 HZ3 TRP A 21 19.984 18.843 -24.445 1.00 1.14 H new ATOM 0 HH2 TRP A 21 17.984 20.268 -24.623 1.00 73.13 H new ATOM 329 N SER A 22 18.571 15.112 -21.719 1.00 1.22 N ATOM 330 CA SER A 22 17.861 14.766 -22.945 1.00 64.00 C ATOM 331 C SER A 22 16.356 14.941 -22.769 1.00 21.02 C ATOM 332 O SER A 22 15.565 14.129 -23.248 1.00 44.11 O ATOM 333 CB SER A 22 18.174 13.325 -23.352 1.00 4.13 C ATOM 334 OG SER A 22 18.253 12.480 -22.216 1.00 41.44 O ATOM 0 H SER A 22 19.440 15.626 -21.865 1.00 1.22 H new ATOM 0 HA SER A 22 18.198 15.440 -23.733 1.00 64.00 H new ATOM 0 HB2 SER A 22 17.402 12.959 -24.029 1.00 4.13 H new ATOM 0 HB3 SER A 22 19.117 13.295 -23.898 1.00 4.13 H new ATOM 0 HG SER A 22 17.431 12.564 -21.688 1.00 41.44 H new ATOM 340 N SER A 23 15.968 16.008 -22.078 1.00 2.23 N ATOM 341 CA SER A 23 14.558 16.289 -21.834 1.00 64.14 C ATOM 342 C SER A 23 13.942 15.231 -20.925 1.00 11.54 C ATOM 343 O SER A 23 13.995 14.036 -21.220 1.00 52.42 O ATOM 344 CB SER A 23 13.792 16.351 -23.157 1.00 2.25 C ATOM 345 OG SER A 23 13.095 15.141 -23.399 1.00 1.24 O ATOM 0 H SER A 23 16.610 16.692 -21.677 1.00 2.23 H new ATOM 0 HA SER A 23 14.487 17.256 -21.336 1.00 64.14 H new ATOM 0 HB2 SER A 23 13.087 17.182 -23.134 1.00 2.25 H new ATOM 0 HB3 SER A 23 14.487 16.544 -23.974 1.00 2.25 H new ATOM 0 HG SER A 23 13.688 14.381 -23.222 1.00 1.24 H new ATOM 351 N TYR A 24 13.357 15.677 -19.819 1.00 10.42 N ATOM 352 CA TYR A 24 12.732 14.769 -18.865 1.00 34.45 C ATOM 353 C TYR A 24 11.779 13.808 -19.570 1.00 42.13 C ATOM 354 O TYR A 24 11.221 14.111 -20.625 1.00 12.25 O ATOM 355 CB TYR A 24 11.978 15.559 -17.795 1.00 21.40 C ATOM 356 CG TYR A 24 12.849 16.538 -17.039 1.00 33.21 C ATOM 357 CD1 TYR A 24 14.160 16.219 -16.706 1.00 40.30 C ATOM 358 CD2 TYR A 24 12.361 17.782 -16.660 1.00 4.22 C ATOM 359 CE1 TYR A 24 14.957 17.110 -16.015 1.00 35.32 C ATOM 360 CE2 TYR A 24 13.152 18.680 -15.970 1.00 71.13 C ATOM 361 CZ TYR A 24 14.450 18.339 -15.650 1.00 21.51 C ATOM 362 OH TYR A 24 15.243 19.230 -14.964 1.00 23.24 O ATOM 0 H TYR A 24 13.303 16.662 -19.561 1.00 10.42 H new ATOM 0 HA TYR A 24 13.520 14.186 -18.389 1.00 34.45 H new ATOM 0 HB2 TYR A 24 11.159 16.103 -18.266 1.00 21.40 H new ATOM 0 HB3 TYR A 24 11.531 14.861 -17.087 1.00 21.40 H new ATOM 0 HD1 TYR A 24 14.562 15.258 -16.992 1.00 40.30 H new ATOM 0 HD2 TYR A 24 11.345 18.052 -16.909 1.00 4.22 H new ATOM 0 HE1 TYR A 24 15.973 16.845 -15.762 1.00 35.32 H new ATOM 0 HE2 TYR A 24 12.757 19.643 -15.683 1.00 71.13 H new ATOM 0 HH TYR A 24 14.735 20.049 -14.784 1.00 23.24 H new ATOM 372 N PRO A 25 11.587 12.623 -18.974 1.00 11.42 N ATOM 373 CA PRO A 25 10.700 11.594 -19.525 1.00 52.33 C ATOM 374 C PRO A 25 9.229 11.988 -19.437 1.00 74.41 C ATOM 375 O PRO A 25 8.850 12.837 -18.630 1.00 71.51 O ATOM 376 CB PRO A 25 10.980 10.374 -18.644 1.00 74.45 C ATOM 377 CG PRO A 25 11.470 10.941 -17.357 1.00 42.33 C ATOM 378 CD PRO A 25 12.219 12.195 -17.715 1.00 32.23 C ATOM 0 HA PRO A 25 10.885 11.423 -20.585 1.00 52.33 H new ATOM 0 HB2 PRO A 25 10.080 9.777 -18.497 1.00 74.45 H new ATOM 0 HB3 PRO A 25 11.725 9.720 -19.098 1.00 74.45 H new ATOM 0 HG2 PRO A 25 10.640 11.161 -16.686 1.00 42.33 H new ATOM 0 HG3 PRO A 25 12.118 10.233 -16.841 1.00 42.33 H new ATOM 0 HD2 PRO A 25 12.124 12.955 -16.939 1.00 32.23 H new ATOM 0 HD3 PRO A 25 13.284 12.003 -17.845 1.00 32.23 H new ATOM 386 N LYS A 26 8.403 11.364 -20.271 1.00 72.54 N ATOM 387 CA LYS A 26 6.974 11.647 -20.286 1.00 43.14 C ATOM 388 C LYS A 26 6.247 10.840 -19.215 1.00 42.04 C ATOM 389 O LYS A 26 6.761 9.832 -18.729 1.00 70.01 O ATOM 390 CB LYS A 26 6.386 11.333 -21.664 1.00 4.23 C ATOM 391 CG LYS A 26 6.741 12.359 -22.726 1.00 73.22 C ATOM 392 CD LYS A 26 6.890 11.717 -24.095 1.00 14.03 C ATOM 393 CE LYS A 26 5.539 11.334 -24.681 1.00 72.22 C ATOM 394 NZ LYS A 26 4.774 12.528 -25.134 1.00 13.24 N ATOM 0 H LYS A 26 8.700 10.659 -20.945 1.00 72.54 H new ATOM 0 HA LYS A 26 6.837 12.707 -20.072 1.00 43.14 H new ATOM 0 HB2 LYS A 26 6.739 10.353 -21.985 1.00 4.23 H new ATOM 0 HB3 LYS A 26 5.301 11.269 -21.581 1.00 4.23 H new ATOM 0 HG2 LYS A 26 5.967 13.126 -22.765 1.00 73.22 H new ATOM 0 HG3 LYS A 26 7.671 12.858 -22.454 1.00 73.22 H new ATOM 0 HD2 LYS A 26 7.397 12.408 -24.769 1.00 14.03 H new ATOM 0 HD3 LYS A 26 7.518 10.830 -24.016 1.00 14.03 H new ATOM 0 HE2 LYS A 26 5.687 10.656 -25.522 1.00 72.22 H new ATOM 0 HE3 LYS A 26 4.959 10.793 -23.934 1.00 72.22 H new ATOM 0 HZ1 LYS A 26 3.960 12.223 -25.705 1.00 13.24 H new ATOM 0 HZ2 LYS A 26 4.436 13.058 -24.306 1.00 13.24 H new ATOM 0 HZ3 LYS A 26 5.391 13.138 -25.708 1.00 13.24 H new ATOM 408 N TYR A 27 5.050 11.289 -18.853 1.00 31.40 N ATOM 409 CA TYR A 27 4.254 10.608 -17.838 1.00 51.45 C ATOM 410 C TYR A 27 4.132 9.120 -18.150 1.00 51.11 C ATOM 411 O TYR A 27 3.641 8.736 -19.211 1.00 73.14 O ATOM 412 CB TYR A 27 2.863 11.238 -17.746 1.00 30.35 C ATOM 413 CG TYR A 27 1.844 10.356 -17.059 1.00 74.32 C ATOM 414 CD1 TYR A 27 2.126 9.757 -15.837 1.00 63.31 C ATOM 415 CD2 TYR A 27 0.601 10.121 -17.632 1.00 34.31 C ATOM 416 CE1 TYR A 27 1.200 8.950 -15.206 1.00 5.22 C ATOM 417 CE2 TYR A 27 -0.332 9.317 -17.008 1.00 10.22 C ATOM 418 CZ TYR A 27 -0.029 8.734 -15.795 1.00 34.32 C ATOM 419 OH TYR A 27 -0.956 7.930 -15.170 1.00 62.44 O ATOM 0 H TYR A 27 4.610 12.121 -19.247 1.00 31.40 H new ATOM 0 HA TYR A 27 4.760 10.719 -16.879 1.00 51.45 H new ATOM 0 HB2 TYR A 27 2.936 12.183 -17.207 1.00 30.35 H new ATOM 0 HB3 TYR A 27 2.511 11.471 -18.751 1.00 30.35 H new ATOM 0 HD1 TYR A 27 3.086 9.926 -15.373 1.00 63.31 H new ATOM 0 HD2 TYR A 27 0.360 10.575 -18.582 1.00 34.31 H new ATOM 0 HE1 TYR A 27 1.436 8.491 -14.257 1.00 5.22 H new ATOM 0 HE2 TYR A 27 -1.294 9.145 -17.467 1.00 10.22 H new ATOM 0 HH TYR A 27 -1.056 8.211 -14.237 1.00 62.44 H new ATOM 429 N GLU A 28 4.580 8.288 -17.217 1.00 32.41 N ATOM 430 CA GLU A 28 4.522 6.841 -17.391 1.00 20.11 C ATOM 431 C GLU A 28 3.552 6.212 -16.395 1.00 33.43 C ATOM 432 O GLU A 28 3.869 6.015 -15.221 1.00 3.20 O ATOM 433 CB GLU A 28 5.913 6.227 -17.222 1.00 62.42 C ATOM 434 CG GLU A 28 6.216 5.122 -18.220 1.00 64.22 C ATOM 435 CD GLU A 28 6.984 3.971 -17.600 1.00 13.33 C ATOM 436 OE1 GLU A 28 6.408 3.270 -16.741 1.00 3.11 O ATOM 437 OE2 GLU A 28 8.158 3.770 -17.974 1.00 13.13 O ATOM 0 H GLU A 28 4.987 8.590 -16.332 1.00 32.41 H new ATOM 0 HA GLU A 28 4.164 6.637 -18.400 1.00 20.11 H new ATOM 0 HB2 GLU A 28 6.662 7.012 -17.323 1.00 62.42 H new ATOM 0 HB3 GLU A 28 6.004 5.828 -16.212 1.00 62.42 H new ATOM 0 HG2 GLU A 28 5.281 4.747 -18.637 1.00 64.22 H new ATOM 0 HG3 GLU A 28 6.792 5.534 -19.049 1.00 64.22 H new ATOM 444 N PRO A 29 2.341 5.888 -16.872 1.00 65.25 N ATOM 445 CA PRO A 29 1.300 5.277 -16.040 1.00 1.33 C ATOM 446 C PRO A 29 1.637 3.842 -15.651 1.00 73.52 C ATOM 447 O PRO A 29 1.954 3.014 -16.505 1.00 5.22 O ATOM 448 CB PRO A 29 0.062 5.309 -16.940 1.00 74.23 C ATOM 449 CG PRO A 29 0.604 5.326 -18.329 1.00 30.03 C ATOM 450 CD PRO A 29 1.894 6.094 -18.260 1.00 72.41 C ATOM 0 HA PRO A 29 1.171 5.805 -15.095 1.00 1.33 H new ATOM 0 HB2 PRO A 29 -0.572 4.438 -16.773 1.00 74.23 H new ATOM 0 HB3 PRO A 29 -0.549 6.190 -16.742 1.00 74.23 H new ATOM 0 HG2 PRO A 29 0.772 4.313 -18.695 1.00 30.03 H new ATOM 0 HG3 PRO A 29 -0.097 5.801 -19.016 1.00 30.03 H new ATOM 0 HD2 PRO A 29 2.624 5.718 -18.977 1.00 72.41 H new ATOM 0 HD3 PRO A 29 1.745 7.151 -18.481 1.00 72.41 H new ATOM 458 N GLY A 30 1.569 3.553 -14.354 1.00 62.53 N ATOM 459 CA GLY A 30 1.871 2.217 -13.875 1.00 45.13 C ATOM 460 C GLY A 30 3.188 2.153 -13.127 1.00 3.45 C ATOM 461 O GLY A 30 3.795 1.088 -13.015 1.00 21.52 O ATOM 0 H GLY A 30 1.310 4.220 -13.627 1.00 62.53 H new ATOM 0 HA2 GLY A 30 1.068 1.879 -13.220 1.00 45.13 H new ATOM 0 HA3 GLY A 30 1.903 1.530 -14.721 1.00 45.13 H new ATOM 465 N LYS A 31 3.631 3.296 -12.614 1.00 73.23 N ATOM 466 CA LYS A 31 4.885 3.366 -11.873 1.00 64.23 C ATOM 467 C LYS A 31 4.837 4.475 -10.827 1.00 40.21 C ATOM 468 O LYS A 31 4.571 5.633 -11.149 1.00 41.24 O ATOM 469 CB LYS A 31 6.055 3.604 -12.831 1.00 13.10 C ATOM 470 CG LYS A 31 7.250 4.276 -12.177 1.00 22.04 C ATOM 471 CD LYS A 31 8.499 4.148 -13.031 1.00 54.53 C ATOM 472 CE LYS A 31 9.646 3.523 -12.252 1.00 51.54 C ATOM 473 NZ LYS A 31 9.332 2.132 -11.824 1.00 72.42 N ATOM 0 H LYS A 31 3.140 4.186 -12.698 1.00 73.23 H new ATOM 0 HA LYS A 31 5.030 2.414 -11.362 1.00 64.23 H new ATOM 0 HB2 LYS A 31 6.371 2.649 -13.250 1.00 13.10 H new ATOM 0 HB3 LYS A 31 5.713 4.220 -13.663 1.00 13.10 H new ATOM 0 HG2 LYS A 31 7.029 5.330 -12.010 1.00 22.04 H new ATOM 0 HG3 LYS A 31 7.430 3.829 -11.199 1.00 22.04 H new ATOM 0 HD2 LYS A 31 8.280 3.540 -13.909 1.00 54.53 H new ATOM 0 HD3 LYS A 31 8.797 5.133 -13.392 1.00 54.53 H new ATOM 0 HE2 LYS A 31 10.545 3.519 -12.869 1.00 51.54 H new ATOM 0 HE3 LYS A 31 9.864 4.132 -11.375 1.00 51.54 H new ATOM 0 HZ1 LYS A 31 10.217 1.617 -11.640 1.00 72.42 H new ATOM 0 HZ2 LYS A 31 8.759 2.157 -10.956 1.00 72.42 H new ATOM 0 HZ3 LYS A 31 8.800 1.649 -12.576 1.00 72.42 H new ATOM 487 N GLU A 32 5.097 4.114 -9.575 1.00 12.10 N ATOM 488 CA GLU A 32 5.084 5.080 -8.483 1.00 61.24 C ATOM 489 C GLU A 32 5.892 6.323 -8.846 1.00 12.35 C ATOM 490 O GLU A 32 6.696 6.304 -9.778 1.00 0.42 O ATOM 491 CB GLU A 32 5.646 4.449 -7.208 1.00 21.25 C ATOM 492 CG GLU A 32 7.159 4.314 -7.210 1.00 22.05 C ATOM 493 CD GLU A 32 7.621 2.918 -6.841 1.00 52.42 C ATOM 494 OE1 GLU A 32 7.308 1.970 -7.593 1.00 65.24 O ATOM 495 OE2 GLU A 32 8.296 2.772 -5.801 1.00 61.21 O ATOM 0 H GLU A 32 5.319 3.160 -9.291 1.00 12.10 H new ATOM 0 HA GLU A 32 4.050 5.378 -8.308 1.00 61.24 H new ATOM 0 HB2 GLU A 32 5.345 5.052 -6.351 1.00 21.25 H new ATOM 0 HB3 GLU A 32 5.202 3.462 -7.075 1.00 21.25 H new ATOM 0 HG2 GLU A 32 7.541 4.570 -8.198 1.00 22.05 H new ATOM 0 HG3 GLU A 32 7.585 5.031 -6.508 1.00 22.05 H new ATOM 502 N TYR A 33 5.670 7.402 -8.104 1.00 62.14 N ATOM 503 CA TYR A 33 6.374 8.655 -8.350 1.00 4.31 C ATOM 504 C TYR A 33 6.695 9.365 -7.038 1.00 60.12 C ATOM 505 O TYR A 33 5.796 9.757 -6.295 1.00 73.01 O ATOM 506 CB TYR A 33 5.534 9.569 -9.245 1.00 65.33 C ATOM 507 CG TYR A 33 5.515 9.144 -10.695 1.00 51.24 C ATOM 508 CD1 TYR A 33 6.609 9.371 -11.521 1.00 4.01 C ATOM 509 CD2 TYR A 33 4.402 8.515 -11.241 1.00 24.00 C ATOM 510 CE1 TYR A 33 6.595 8.985 -12.848 1.00 31.31 C ATOM 511 CE2 TYR A 33 4.380 8.124 -12.565 1.00 70.34 C ATOM 512 CZ TYR A 33 5.479 8.361 -13.364 1.00 45.23 C ATOM 513 OH TYR A 33 5.460 7.975 -14.685 1.00 10.32 O ATOM 0 H TYR A 33 5.009 7.434 -7.328 1.00 62.14 H new ATOM 0 HA TYR A 33 7.311 8.423 -8.856 1.00 4.31 H new ATOM 0 HB2 TYR A 33 4.511 9.592 -8.868 1.00 65.33 H new ATOM 0 HB3 TYR A 33 5.922 10.586 -9.178 1.00 65.33 H new ATOM 0 HD1 TYR A 33 7.485 9.858 -11.119 1.00 4.01 H new ATOM 0 HD2 TYR A 33 3.539 8.329 -10.619 1.00 24.00 H new ATOM 0 HE1 TYR A 33 7.453 9.171 -13.477 1.00 31.31 H new ATOM 0 HE2 TYR A 33 3.507 7.635 -12.973 1.00 70.34 H new ATOM 0 HH TYR A 33 5.151 7.047 -14.750 1.00 10.32 H new ATOM 523 N ASN A 34 7.985 9.528 -6.762 1.00 35.34 N ATOM 524 CA ASN A 34 8.428 10.190 -5.540 1.00 3.24 C ATOM 525 C ASN A 34 8.352 11.707 -5.686 1.00 32.21 C ATOM 526 O ASN A 34 8.196 12.226 -6.790 1.00 44.13 O ATOM 527 CB ASN A 34 9.858 9.770 -5.196 1.00 53.53 C ATOM 528 CG ASN A 34 10.048 8.267 -5.250 1.00 35.34 C ATOM 529 OD1 ASN A 34 9.081 7.505 -5.204 1.00 50.32 O ATOM 530 ND2 ASN A 34 11.299 7.831 -5.346 1.00 52.24 N ATOM 0 H ASN A 34 8.742 9.211 -7.368 1.00 35.34 H new ATOM 0 HA ASN A 34 7.764 9.886 -4.731 1.00 3.24 H new ATOM 0 HB2 ASN A 34 10.550 10.246 -5.890 1.00 53.53 H new ATOM 0 HB3 ASN A 34 10.109 10.130 -4.198 1.00 53.53 H new ATOM 0 HD21 ASN A 34 11.488 6.829 -5.385 1.00 52.24 H new ATOM 0 HD22 ASN A 34 12.070 8.498 -5.381 1.00 52.24 H new ATOM 537 N GLN A 35 8.465 12.410 -4.563 1.00 43.43 N ATOM 538 CA GLN A 35 8.409 13.867 -4.567 1.00 63.44 C ATOM 539 C GLN A 35 9.569 14.454 -5.366 1.00 3.33 C ATOM 540 O GLN A 35 10.694 13.961 -5.301 1.00 5.13 O ATOM 541 CB GLN A 35 8.439 14.403 -3.135 1.00 3.14 C ATOM 542 CG GLN A 35 9.820 14.367 -2.500 1.00 11.33 C ATOM 543 CD GLN A 35 10.372 12.959 -2.384 1.00 24.21 C ATOM 544 OE1 GLN A 35 11.389 12.626 -2.993 1.00 44.42 O ATOM 545 NE2 GLN A 35 9.703 12.123 -1.598 1.00 43.42 N ATOM 0 H GLN A 35 8.596 11.995 -3.641 1.00 43.43 H new ATOM 0 HA GLN A 35 7.475 14.168 -5.041 1.00 63.44 H new ATOM 0 HB2 GLN A 35 8.074 15.430 -3.133 1.00 3.14 H new ATOM 0 HB3 GLN A 35 7.752 13.819 -2.523 1.00 3.14 H new ATOM 0 HG2 GLN A 35 10.504 14.974 -3.093 1.00 11.33 H new ATOM 0 HG3 GLN A 35 9.772 14.817 -1.509 1.00 11.33 H new ATOM 0 HE21 GLN A 35 8.865 12.441 -1.112 1.00 43.42 H new ATOM 0 HE22 GLN A 35 10.028 11.163 -1.481 1.00 43.42 H new ATOM 554 N GLY A 36 9.284 15.511 -6.122 1.00 34.04 N ATOM 555 CA GLY A 36 10.313 16.147 -6.924 1.00 13.12 C ATOM 556 C GLY A 36 10.367 15.602 -8.338 1.00 25.13 C ATOM 557 O GLY A 36 10.866 16.264 -9.247 1.00 62.34 O ATOM 0 H GLY A 36 8.360 15.937 -6.193 1.00 34.04 H new ATOM 0 HA2 GLY A 36 10.130 17.221 -6.959 1.00 13.12 H new ATOM 0 HA3 GLY A 36 11.282 16.004 -6.446 1.00 13.12 H new ATOM 561 N ASP A 37 9.853 14.392 -8.523 1.00 11.21 N ATOM 562 CA ASP A 37 9.844 13.757 -9.836 1.00 34.50 C ATOM 563 C ASP A 37 9.071 14.603 -10.843 1.00 75.52 C ATOM 564 O ASP A 37 7.949 15.032 -10.576 1.00 13.21 O ATOM 565 CB ASP A 37 9.230 12.360 -9.747 1.00 33.34 C ATOM 566 CG ASP A 37 9.195 11.656 -11.089 1.00 61.20 C ATOM 567 OD1 ASP A 37 8.457 12.121 -11.983 1.00 22.45 O ATOM 568 OD2 ASP A 37 9.904 10.640 -11.246 1.00 12.01 O ATOM 0 H ASP A 37 9.437 13.830 -7.780 1.00 11.21 H new ATOM 0 HA ASP A 37 10.876 13.670 -10.177 1.00 34.50 H new ATOM 0 HB2 ASP A 37 9.802 11.759 -9.040 1.00 33.34 H new ATOM 0 HB3 ASP A 37 8.216 12.436 -9.354 1.00 33.34 H new ATOM 573 N ILE A 38 9.682 14.839 -12.000 1.00 2.35 N ATOM 574 CA ILE A 38 9.050 15.633 -13.047 1.00 24.44 C ATOM 575 C ILE A 38 8.900 14.828 -14.333 1.00 11.02 C ATOM 576 O ILE A 38 9.843 14.178 -14.784 1.00 12.11 O ATOM 577 CB ILE A 38 9.855 16.912 -13.346 1.00 13.22 C ATOM 578 CG1 ILE A 38 9.981 17.769 -12.084 1.00 12.30 C ATOM 579 CG2 ILE A 38 9.196 17.703 -14.466 1.00 52.01 C ATOM 580 CD1 ILE A 38 10.826 19.008 -12.277 1.00 44.31 C ATOM 0 H ILE A 38 10.612 14.492 -12.235 1.00 2.35 H new ATOM 0 HA ILE A 38 8.063 15.912 -12.679 1.00 24.44 H new ATOM 0 HB ILE A 38 10.856 16.626 -13.670 1.00 13.22 H new ATOM 0 HG12 ILE A 38 8.985 18.066 -11.755 1.00 12.30 H new ATOM 0 HG13 ILE A 38 10.413 17.165 -11.286 1.00 12.30 H new ATOM 0 HG21 ILE A 38 9.776 18.604 -14.666 1.00 52.01 H new ATOM 0 HG22 ILE A 38 9.154 17.091 -15.367 1.00 52.01 H new ATOM 0 HG23 ILE A 38 8.185 17.981 -14.169 1.00 52.01 H new ATOM 0 HD11 ILE A 38 10.871 19.567 -11.342 1.00 44.31 H new ATOM 0 HD12 ILE A 38 11.833 18.718 -12.576 1.00 44.31 H new ATOM 0 HD13 ILE A 38 10.383 19.633 -13.052 1.00 44.31 H new ATOM 592 N VAL A 39 7.709 14.878 -14.920 1.00 54.40 N ATOM 593 CA VAL A 39 7.436 14.155 -16.157 1.00 24.14 C ATOM 594 C VAL A 39 6.697 15.037 -17.157 1.00 63.34 C ATOM 595 O VAL A 39 6.021 15.992 -16.775 1.00 43.43 O ATOM 596 CB VAL A 39 6.601 12.888 -15.894 1.00 1.20 C ATOM 597 CG1 VAL A 39 7.207 12.076 -14.759 1.00 54.32 C ATOM 598 CG2 VAL A 39 5.158 13.255 -15.585 1.00 10.23 C ATOM 0 H VAL A 39 6.918 15.411 -14.559 1.00 54.40 H new ATOM 0 HA VAL A 39 8.401 13.866 -16.574 1.00 24.14 H new ATOM 0 HB VAL A 39 6.611 12.274 -16.795 1.00 1.20 H new ATOM 0 HG11 VAL A 39 6.604 11.184 -14.587 1.00 54.32 H new ATOM 0 HG12 VAL A 39 8.222 11.782 -15.024 1.00 54.32 H new ATOM 0 HG13 VAL A 39 7.229 12.679 -13.852 1.00 54.32 H new ATOM 0 HG21 VAL A 39 4.583 12.347 -15.402 1.00 10.23 H new ATOM 0 HG22 VAL A 39 5.126 13.890 -14.700 1.00 10.23 H new ATOM 0 HG23 VAL A 39 4.730 13.791 -16.432 1.00 10.23 H new ATOM 608 N GLU A 40 6.833 14.712 -18.439 1.00 15.12 N ATOM 609 CA GLU A 40 6.178 15.476 -19.494 1.00 43.12 C ATOM 610 C GLU A 40 4.842 14.844 -19.875 1.00 73.03 C ATOM 611 O GLU A 40 4.773 13.655 -20.189 1.00 25.00 O ATOM 612 CB GLU A 40 7.083 15.565 -20.725 1.00 2.23 C ATOM 613 CG GLU A 40 6.399 16.171 -21.940 1.00 24.43 C ATOM 614 CD GLU A 40 7.384 16.596 -23.011 1.00 52.52 C ATOM 615 OE1 GLU A 40 8.501 17.025 -22.655 1.00 4.04 O ATOM 616 OE2 GLU A 40 7.038 16.497 -24.208 1.00 71.24 O ATOM 0 H GLU A 40 7.391 13.925 -18.772 1.00 15.12 H new ATOM 0 HA GLU A 40 5.989 16.481 -19.117 1.00 43.12 H new ATOM 0 HB2 GLU A 40 7.961 16.161 -20.478 1.00 2.23 H new ATOM 0 HB3 GLU A 40 7.437 14.566 -20.978 1.00 2.23 H new ATOM 0 HG2 GLU A 40 5.702 15.446 -22.360 1.00 24.43 H new ATOM 0 HG3 GLU A 40 5.811 17.035 -21.629 1.00 24.43 H new ATOM 623 N TYR A 41 3.785 15.647 -19.844 1.00 51.52 N ATOM 624 CA TYR A 41 2.450 15.167 -20.183 1.00 72.10 C ATOM 625 C TYR A 41 1.706 16.187 -21.039 1.00 1.15 C ATOM 626 O TYR A 41 1.526 17.337 -20.639 1.00 54.01 O ATOM 627 CB TYR A 41 1.654 14.873 -18.911 1.00 4.52 C ATOM 628 CG TYR A 41 0.192 14.579 -19.166 1.00 73.44 C ATOM 629 CD1 TYR A 41 -0.735 15.607 -19.275 1.00 12.40 C ATOM 630 CD2 TYR A 41 -0.260 13.272 -19.301 1.00 1.33 C ATOM 631 CE1 TYR A 41 -2.071 15.343 -19.507 1.00 10.30 C ATOM 632 CE2 TYR A 41 -1.593 12.997 -19.534 1.00 42.54 C ATOM 633 CZ TYR A 41 -2.496 14.037 -19.637 1.00 72.22 C ATOM 634 OH TYR A 41 -3.825 13.770 -19.870 1.00 13.44 O ATOM 0 H TYR A 41 3.826 16.633 -19.588 1.00 51.52 H new ATOM 0 HA TYR A 41 2.556 14.247 -20.758 1.00 72.10 H new ATOM 0 HB2 TYR A 41 2.103 14.022 -18.400 1.00 4.52 H new ATOM 0 HB3 TYR A 41 1.732 15.727 -18.238 1.00 4.52 H new ATOM 0 HD1 TYR A 41 -0.406 16.631 -19.177 1.00 12.40 H new ATOM 0 HD2 TYR A 41 0.444 12.457 -19.222 1.00 1.33 H new ATOM 0 HE1 TYR A 41 -2.779 16.155 -19.586 1.00 10.30 H new ATOM 0 HE2 TYR A 41 -1.927 11.975 -19.635 1.00 42.54 H new ATOM 0 HH TYR A 41 -3.957 12.801 -19.937 1.00 13.44 H new ATOM 644 N ASN A 42 1.274 15.756 -22.219 1.00 14.44 N ATOM 645 CA ASN A 42 0.547 16.630 -23.134 1.00 32.11 C ATOM 646 C ASN A 42 1.345 17.898 -23.422 1.00 22.03 C ATOM 647 O ASN A 42 0.779 18.983 -23.556 1.00 20.03 O ATOM 648 CB ASN A 42 -0.818 16.994 -22.547 1.00 42.52 C ATOM 649 CG ASN A 42 -1.839 15.888 -22.726 1.00 33.25 C ATOM 650 OD1 ASN A 42 -1.491 14.707 -22.756 1.00 75.13 O ATOM 651 ND2 ASN A 42 -3.106 16.265 -22.844 1.00 0.34 N ATOM 0 H ASN A 42 1.414 14.807 -22.565 1.00 14.44 H new ATOM 0 HA ASN A 42 0.400 16.094 -24.071 1.00 32.11 H new ATOM 0 HB2 ASN A 42 -0.707 17.213 -21.485 1.00 42.52 H new ATOM 0 HB3 ASN A 42 -1.184 17.903 -23.024 1.00 42.52 H new ATOM 0 HD21 ASN A 42 -3.837 15.564 -22.965 1.00 0.34 H new ATOM 0 HD22 ASN A 42 -3.348 17.255 -22.813 1.00 0.34 H new ATOM 658 N GLY A 43 2.663 17.753 -23.517 1.00 72.22 N ATOM 659 CA GLY A 43 3.517 18.894 -23.790 1.00 44.24 C ATOM 660 C GLY A 43 3.656 19.814 -22.593 1.00 5.34 C ATOM 661 O GLY A 43 4.004 20.986 -22.737 1.00 34.14 O ATOM 0 H GLY A 43 3.155 16.866 -23.410 1.00 72.22 H new ATOM 0 HA2 GLY A 43 4.504 18.542 -24.090 1.00 44.24 H new ATOM 0 HA3 GLY A 43 3.110 19.456 -24.631 1.00 44.24 H new ATOM 665 N LYS A 44 3.380 19.283 -21.406 1.00 41.24 N ATOM 666 CA LYS A 44 3.475 20.063 -20.178 1.00 23.51 C ATOM 667 C LYS A 44 4.545 19.492 -19.253 1.00 64.32 C ATOM 668 O LYS A 44 5.228 18.527 -19.597 1.00 71.52 O ATOM 669 CB LYS A 44 2.125 20.087 -19.458 1.00 42.51 C ATOM 670 CG LYS A 44 1.754 21.452 -18.905 1.00 14.24 C ATOM 671 CD LYS A 44 0.526 22.020 -19.598 1.00 31.22 C ATOM 672 CE LYS A 44 -0.162 23.070 -18.740 1.00 52.10 C ATOM 673 NZ LYS A 44 -1.615 23.173 -19.050 1.00 43.23 N ATOM 0 H LYS A 44 3.089 18.315 -21.269 1.00 41.24 H new ATOM 0 HA LYS A 44 3.755 21.082 -20.445 1.00 23.51 H new ATOM 0 HB2 LYS A 44 1.348 19.761 -20.150 1.00 42.51 H new ATOM 0 HB3 LYS A 44 2.146 19.367 -18.640 1.00 42.51 H new ATOM 0 HG2 LYS A 44 1.565 21.373 -17.835 1.00 14.24 H new ATOM 0 HG3 LYS A 44 2.593 22.137 -19.030 1.00 14.24 H new ATOM 0 HD2 LYS A 44 0.816 22.461 -20.552 1.00 31.22 H new ATOM 0 HD3 LYS A 44 -0.174 21.214 -19.819 1.00 31.22 H new ATOM 0 HE2 LYS A 44 -0.032 22.821 -17.687 1.00 52.10 H new ATOM 0 HE3 LYS A 44 0.313 24.038 -18.900 1.00 52.10 H new ATOM 0 HZ1 LYS A 44 -2.049 23.899 -18.445 1.00 43.23 H new ATOM 0 HZ2 LYS A 44 -1.739 23.436 -20.049 1.00 43.23 H new ATOM 0 HZ3 LYS A 44 -2.073 22.256 -18.873 1.00 43.23 H new ATOM 687 N LEU A 45 4.687 20.095 -18.077 1.00 2.51 N ATOM 688 CA LEU A 45 5.673 19.645 -17.100 1.00 40.53 C ATOM 689 C LEU A 45 5.122 19.750 -15.682 1.00 62.34 C ATOM 690 O LEU A 45 4.910 20.849 -15.168 1.00 2.14 O ATOM 691 CB LEU A 45 6.955 20.472 -17.225 1.00 14.10 C ATOM 692 CG LEU A 45 7.975 19.977 -18.251 1.00 54.11 C ATOM 693 CD1 LEU A 45 9.175 20.910 -18.303 1.00 4.23 C ATOM 694 CD2 LEU A 45 8.414 18.557 -17.925 1.00 54.45 C ATOM 0 H LEU A 45 4.132 20.897 -17.777 1.00 2.51 H new ATOM 0 HA LEU A 45 5.901 18.599 -17.304 1.00 40.53 H new ATOM 0 HB2 LEU A 45 6.680 21.495 -17.480 1.00 14.10 H new ATOM 0 HB3 LEU A 45 7.439 20.506 -16.249 1.00 14.10 H new ATOM 0 HG LEU A 45 7.502 19.972 -19.233 1.00 54.11 H new ATOM 0 HD11 LEU A 45 9.890 20.542 -19.038 1.00 4.23 H new ATOM 0 HD12 LEU A 45 8.846 21.910 -18.585 1.00 4.23 H new ATOM 0 HD13 LEU A 45 9.650 20.947 -17.322 1.00 4.23 H new ATOM 0 HD21 LEU A 45 9.140 18.221 -18.666 1.00 54.45 H new ATOM 0 HD22 LEU A 45 8.869 18.535 -16.935 1.00 54.45 H new ATOM 0 HD23 LEU A 45 7.548 17.896 -17.940 1.00 54.45 H new ATOM 706 N TYR A 46 4.896 18.602 -15.055 1.00 33.42 N ATOM 707 CA TYR A 46 4.371 18.564 -13.695 1.00 22.41 C ATOM 708 C TYR A 46 5.386 17.952 -12.735 1.00 32.35 C ATOM 709 O TYR A 46 6.219 17.136 -13.130 1.00 11.22 O ATOM 710 CB TYR A 46 3.067 17.766 -13.652 1.00 1.10 C ATOM 711 CG TYR A 46 2.014 18.276 -14.610 1.00 41.31 C ATOM 712 CD1 TYR A 46 1.204 19.354 -14.273 1.00 2.21 C ATOM 713 CD2 TYR A 46 1.827 17.680 -15.851 1.00 71.31 C ATOM 714 CE1 TYR A 46 0.239 19.823 -15.144 1.00 75.22 C ATOM 715 CE2 TYR A 46 0.867 18.142 -16.729 1.00 42.14 C ATOM 716 CZ TYR A 46 0.075 19.213 -16.372 1.00 64.53 C ATOM 717 OH TYR A 46 -0.884 19.677 -17.244 1.00 21.51 O ATOM 0 H TYR A 46 5.068 17.685 -15.466 1.00 33.42 H new ATOM 0 HA TYR A 46 4.174 19.589 -13.381 1.00 22.41 H new ATOM 0 HB2 TYR A 46 3.281 16.723 -13.883 1.00 1.10 H new ATOM 0 HB3 TYR A 46 2.668 17.793 -12.638 1.00 1.10 H new ATOM 0 HD1 TYR A 46 1.331 19.834 -13.314 1.00 2.21 H new ATOM 0 HD2 TYR A 46 2.444 16.840 -16.134 1.00 71.31 H new ATOM 0 HE1 TYR A 46 -0.383 20.661 -14.866 1.00 75.22 H new ATOM 0 HE2 TYR A 46 0.737 17.667 -17.690 1.00 42.14 H new ATOM 0 HH TYR A 46 -0.869 19.139 -18.063 1.00 21.51 H new ATOM 727 N LYS A 47 5.311 18.352 -11.471 1.00 22.34 N ATOM 728 CA LYS A 47 6.220 17.843 -10.450 1.00 72.25 C ATOM 729 C LYS A 47 5.447 17.317 -9.246 1.00 21.51 C ATOM 730 O LYS A 47 4.723 18.063 -8.587 1.00 11.21 O ATOM 731 CB LYS A 47 7.189 18.942 -10.008 1.00 72.11 C ATOM 732 CG LYS A 47 8.222 18.472 -8.998 1.00 13.21 C ATOM 733 CD LYS A 47 9.482 19.320 -9.054 1.00 33.10 C ATOM 734 CE LYS A 47 9.386 20.521 -8.127 1.00 41.23 C ATOM 735 NZ LYS A 47 9.884 20.209 -6.759 1.00 4.43 N ATOM 0 H LYS A 47 4.629 19.028 -11.128 1.00 22.34 H new ATOM 0 HA LYS A 47 6.787 17.019 -10.882 1.00 72.25 H new ATOM 0 HB2 LYS A 47 7.703 19.336 -10.885 1.00 72.11 H new ATOM 0 HB3 LYS A 47 6.619 19.765 -9.576 1.00 72.11 H new ATOM 0 HG2 LYS A 47 7.797 18.515 -7.995 1.00 13.21 H new ATOM 0 HG3 LYS A 47 8.475 17.430 -9.193 1.00 13.21 H new ATOM 0 HD2 LYS A 47 10.343 18.713 -8.776 1.00 33.10 H new ATOM 0 HD3 LYS A 47 9.648 19.660 -10.076 1.00 33.10 H new ATOM 0 HE2 LYS A 47 9.962 21.347 -8.543 1.00 41.23 H new ATOM 0 HE3 LYS A 47 8.349 20.853 -8.069 1.00 41.23 H new ATOM 0 HZ1 LYS A 47 9.801 21.054 -6.158 1.00 4.43 H new ATOM 0 HZ2 LYS A 47 9.318 19.438 -6.351 1.00 4.43 H new ATOM 0 HZ3 LYS A 47 10.881 19.917 -6.811 1.00 4.43 H new ATOM 749 N ALA A 48 5.608 16.028 -8.962 1.00 21.30 N ATOM 750 CA ALA A 48 4.929 15.405 -7.833 1.00 12.54 C ATOM 751 C ALA A 48 5.358 16.037 -6.515 1.00 62.45 C ATOM 752 O ALA A 48 6.521 15.947 -6.120 1.00 72.14 O ATOM 753 CB ALA A 48 5.201 13.907 -7.816 1.00 22.13 C ATOM 0 H ALA A 48 6.202 15.396 -9.498 1.00 21.30 H new ATOM 0 HA ALA A 48 3.858 15.569 -7.951 1.00 12.54 H new ATOM 0 HB1 ALA A 48 4.688 13.454 -6.968 1.00 22.13 H new ATOM 0 HB2 ALA A 48 4.837 13.461 -8.741 1.00 22.13 H new ATOM 0 HB3 ALA A 48 6.273 13.733 -7.727 1.00 22.13 H new ATOM 759 N LYS A 49 4.413 16.680 -5.836 1.00 34.21 N ATOM 760 CA LYS A 49 4.693 17.328 -4.561 1.00 65.13 C ATOM 761 C LYS A 49 5.157 16.312 -3.523 1.00 33.10 C ATOM 762 O LYS A 49 6.132 16.541 -2.807 1.00 10.21 O ATOM 763 CB LYS A 49 3.448 18.059 -4.053 1.00 61.41 C ATOM 764 CG LYS A 49 2.747 18.881 -5.121 1.00 65.32 C ATOM 765 CD LYS A 49 1.808 19.906 -4.508 1.00 21.22 C ATOM 766 CE LYS A 49 1.907 21.247 -5.219 1.00 63.40 C ATOM 767 NZ LYS A 49 1.315 22.349 -4.410 1.00 21.43 N ATOM 0 H LYS A 49 3.446 16.766 -6.149 1.00 34.21 H new ATOM 0 HA LYS A 49 5.493 18.051 -4.718 1.00 65.13 H new ATOM 0 HB2 LYS A 49 2.747 17.328 -3.650 1.00 61.41 H new ATOM 0 HB3 LYS A 49 3.732 18.715 -3.230 1.00 61.41 H new ATOM 0 HG2 LYS A 49 3.490 19.389 -5.737 1.00 65.32 H new ATOM 0 HG3 LYS A 49 2.185 18.219 -5.780 1.00 65.32 H new ATOM 0 HD2 LYS A 49 0.783 19.540 -4.561 1.00 21.22 H new ATOM 0 HD3 LYS A 49 2.047 20.034 -3.452 1.00 21.22 H new ATOM 0 HE2 LYS A 49 2.953 21.471 -5.428 1.00 63.40 H new ATOM 0 HE3 LYS A 49 1.396 21.187 -6.180 1.00 63.40 H new ATOM 0 HZ1 LYS A 49 1.402 23.246 -4.929 1.00 21.43 H new ATOM 0 HZ2 LYS A 49 0.310 22.148 -4.232 1.00 21.43 H new ATOM 0 HZ3 LYS A 49 1.819 22.423 -3.503 1.00 21.43 H new ATOM 781 N TYR A 50 4.454 15.187 -3.449 1.00 30.43 N ATOM 782 CA TYR A 50 4.794 14.134 -2.499 1.00 24.34 C ATOM 783 C TYR A 50 4.504 12.756 -3.085 1.00 23.34 C ATOM 784 O TYR A 50 3.910 12.638 -4.156 1.00 61.45 O ATOM 785 CB TYR A 50 4.013 14.323 -1.197 1.00 24.23 C ATOM 786 CG TYR A 50 2.551 13.957 -1.310 1.00 10.31 C ATOM 787 CD1 TYR A 50 1.700 14.662 -2.153 1.00 64.34 C ATOM 788 CD2 TYR A 50 2.018 12.904 -0.575 1.00 22.51 C ATOM 789 CE1 TYR A 50 0.364 14.332 -2.259 1.00 12.31 C ATOM 790 CE2 TYR A 50 0.682 12.566 -0.675 1.00 34.41 C ATOM 791 CZ TYR A 50 -0.141 13.283 -1.518 1.00 34.03 C ATOM 792 OH TYR A 50 -1.472 12.949 -1.622 1.00 22.20 O ATOM 0 H TYR A 50 3.645 14.981 -4.035 1.00 30.43 H new ATOM 0 HA TYR A 50 5.861 14.200 -2.288 1.00 24.34 H new ATOM 0 HB2 TYR A 50 4.472 13.716 -0.417 1.00 24.23 H new ATOM 0 HB3 TYR A 50 4.095 15.363 -0.881 1.00 24.23 H new ATOM 0 HD1 TYR A 50 2.091 15.483 -2.736 1.00 64.34 H new ATOM 0 HD2 TYR A 50 2.660 12.340 0.086 1.00 22.51 H new ATOM 0 HE1 TYR A 50 -0.283 14.892 -2.918 1.00 12.31 H new ATOM 0 HE2 TYR A 50 0.285 11.745 -0.096 1.00 34.41 H new ATOM 0 HH TYR A 50 -1.665 12.188 -1.036 1.00 22.20 H new ATOM 802 N TRP A 51 4.925 11.718 -2.373 1.00 71.41 N ATOM 803 CA TRP A 51 4.712 10.347 -2.821 1.00 11.35 C ATOM 804 C TRP A 51 3.255 10.123 -3.212 1.00 11.31 C ATOM 805 O TRP A 51 2.362 10.153 -2.364 1.00 12.23 O ATOM 806 CB TRP A 51 5.115 9.360 -1.723 1.00 2.03 C ATOM 807 CG TRP A 51 5.762 8.116 -2.252 1.00 21.31 C ATOM 808 CD1 TRP A 51 7.027 7.999 -2.753 1.00 50.11 C ATOM 809 CD2 TRP A 51 5.175 6.813 -2.331 1.00 34.10 C ATOM 810 NE1 TRP A 51 7.262 6.702 -3.140 1.00 10.52 N ATOM 811 CE2 TRP A 51 6.141 5.954 -2.891 1.00 53.20 C ATOM 812 CE3 TRP A 51 3.928 6.286 -1.983 1.00 30.43 C ATOM 813 CZ2 TRP A 51 5.897 4.601 -3.110 1.00 53.03 C ATOM 814 CZ3 TRP A 51 3.688 4.943 -2.201 1.00 2.43 C ATOM 815 CH2 TRP A 51 4.667 4.113 -2.759 1.00 53.12 C ATOM 0 H TRP A 51 5.416 11.799 -1.483 1.00 71.41 H new ATOM 0 HA TRP A 51 5.336 10.177 -3.699 1.00 11.35 H new ATOM 0 HB2 TRP A 51 5.801 9.853 -1.035 1.00 2.03 H new ATOM 0 HB3 TRP A 51 4.230 9.085 -1.149 1.00 2.03 H new ATOM 0 HD1 TRP A 51 7.738 8.808 -2.833 1.00 50.11 H new ATOM 0 HE1 TRP A 51 8.130 6.353 -3.547 1.00 10.52 H new ATOM 0 HE3 TRP A 51 3.166 6.918 -1.551 1.00 30.43 H new ATOM 0 HZ2 TRP A 51 6.651 3.959 -3.541 1.00 53.03 H new ATOM 0 HZ3 TRP A 51 2.728 4.526 -1.936 1.00 2.43 H new ATOM 0 HH2 TRP A 51 4.448 3.067 -2.916 1.00 53.12 H new ATOM 826 N THR A 52 3.020 9.900 -4.501 1.00 32.22 N ATOM 827 CA THR A 52 1.671 9.672 -5.004 1.00 1.21 C ATOM 828 C THR A 52 1.700 8.979 -6.361 1.00 74.03 C ATOM 829 O THR A 52 2.671 9.095 -7.110 1.00 45.24 O ATOM 830 CB THR A 52 0.889 10.993 -5.131 1.00 41.13 C ATOM 831 OG1 THR A 52 1.050 11.774 -3.942 1.00 63.23 O ATOM 832 CG2 THR A 52 -0.589 10.725 -5.371 1.00 44.54 C ATOM 0 H THR A 52 3.747 9.872 -5.216 1.00 32.22 H new ATOM 0 HA THR A 52 1.168 9.029 -4.282 1.00 1.21 H new ATOM 0 HB THR A 52 1.286 11.544 -5.984 1.00 41.13 H new ATOM 0 HG1 THR A 52 1.237 11.181 -3.184 1.00 63.23 H new ATOM 0 HG21 THR A 52 -1.121 11.672 -5.457 1.00 44.54 H new ATOM 0 HG22 THR A 52 -0.711 10.155 -6.292 1.00 44.54 H new ATOM 0 HG23 THR A 52 -0.996 10.155 -4.536 1.00 44.54 H new ATOM 840 N THR A 53 0.629 8.255 -6.675 1.00 64.02 N ATOM 841 CA THR A 53 0.532 7.543 -7.942 1.00 45.44 C ATOM 842 C THR A 53 -0.781 7.856 -8.649 1.00 40.23 C ATOM 843 O THR A 53 -1.848 7.413 -8.223 1.00 30.11 O ATOM 844 CB THR A 53 0.644 6.020 -7.740 1.00 45.43 C ATOM 845 OG1 THR A 53 -0.514 5.531 -7.056 1.00 3.44 O ATOM 846 CG2 THR A 53 1.894 5.670 -6.948 1.00 20.13 C ATOM 0 H THR A 53 -0.183 8.147 -6.068 1.00 64.02 H new ATOM 0 HA THR A 53 1.363 7.882 -8.560 1.00 45.44 H new ATOM 0 HB THR A 53 0.712 5.549 -8.721 1.00 45.43 H new ATOM 0 HG1 THR A 53 -1.186 6.242 -7.001 1.00 3.44 H new ATOM 0 HG21 THR A 53 1.952 4.589 -6.818 1.00 20.13 H new ATOM 0 HG22 THR A 53 2.775 6.018 -7.487 1.00 20.13 H new ATOM 0 HG23 THR A 53 1.852 6.151 -5.971 1.00 20.13 H new ATOM 854 N SER A 54 -0.697 8.622 -9.733 1.00 13.33 N ATOM 855 CA SER A 54 -1.881 8.996 -10.498 1.00 14.11 C ATOM 856 C SER A 54 -1.510 9.916 -11.657 1.00 71.22 C ATOM 857 O SER A 54 -0.523 10.650 -11.609 1.00 75.52 O ATOM 858 CB SER A 54 -2.903 9.684 -9.593 1.00 32.22 C ATOM 859 OG SER A 54 -4.082 8.908 -9.472 1.00 2.13 O ATOM 0 H SER A 54 0.178 8.995 -10.101 1.00 13.33 H new ATOM 0 HA SER A 54 -2.322 8.086 -10.905 1.00 14.11 H new ATOM 0 HB2 SER A 54 -2.468 9.847 -8.607 1.00 32.22 H new ATOM 0 HB3 SER A 54 -3.150 10.665 -9.998 1.00 32.22 H new ATOM 0 HG SER A 54 -3.875 8.069 -9.009 1.00 2.13 H new ATOM 865 N PRO A 55 -2.320 9.877 -12.725 1.00 65.33 N ATOM 866 CA PRO A 55 -2.099 10.701 -13.917 1.00 63.52 C ATOM 867 C PRO A 55 -2.354 12.182 -13.654 1.00 70.33 C ATOM 868 O PRO A 55 -3.161 12.556 -12.802 1.00 53.44 O ATOM 869 CB PRO A 55 -3.116 10.154 -14.922 1.00 32.41 C ATOM 870 CG PRO A 55 -4.194 9.561 -14.083 1.00 13.04 C ATOM 871 CD PRO A 55 -3.515 9.027 -12.851 1.00 14.12 C ATOM 0 HA PRO A 55 -1.067 10.647 -14.263 1.00 63.52 H new ATOM 0 HB2 PRO A 55 -3.504 10.945 -15.564 1.00 32.41 H new ATOM 0 HB3 PRO A 55 -2.665 9.406 -15.575 1.00 32.41 H new ATOM 0 HG2 PRO A 55 -4.942 10.310 -13.823 1.00 13.04 H new ATOM 0 HG3 PRO A 55 -4.712 8.766 -14.619 1.00 13.04 H new ATOM 0 HD2 PRO A 55 -4.157 9.103 -11.973 1.00 14.12 H new ATOM 0 HD3 PRO A 55 -3.250 7.975 -12.962 1.00 14.12 H new ATOM 879 N PRO A 56 -1.651 13.047 -14.401 1.00 12.31 N ATOM 880 CA PRO A 56 -1.786 14.500 -14.267 1.00 63.12 C ATOM 881 C PRO A 56 -3.132 15.007 -14.772 1.00 54.42 C ATOM 882 O PRO A 56 -3.589 14.616 -15.846 1.00 55.25 O ATOM 883 CB PRO A 56 -0.648 15.043 -15.136 1.00 4.23 C ATOM 884 CG PRO A 56 -0.392 13.970 -16.138 1.00 63.20 C ATOM 885 CD PRO A 56 -0.671 12.671 -15.434 1.00 64.12 C ATOM 0 HA PRO A 56 -1.736 14.820 -13.226 1.00 63.12 H new ATOM 0 HB2 PRO A 56 -0.931 15.978 -15.620 1.00 4.23 H new ATOM 0 HB3 PRO A 56 0.241 15.249 -14.540 1.00 4.23 H new ATOM 0 HG2 PRO A 56 -1.036 14.088 -17.009 1.00 63.20 H new ATOM 0 HG3 PRO A 56 0.637 14.007 -16.495 1.00 63.20 H new ATOM 0 HD2 PRO A 56 -1.074 11.922 -16.116 1.00 64.12 H new ATOM 0 HD3 PRO A 56 0.233 12.249 -14.996 1.00 64.12 H new ATOM 893 N SER A 57 -3.762 15.878 -13.991 1.00 55.45 N ATOM 894 CA SER A 57 -5.059 16.435 -14.360 1.00 63.24 C ATOM 895 C SER A 57 -5.578 17.368 -13.269 1.00 12.13 C ATOM 896 O SER A 57 -5.650 18.582 -13.457 1.00 43.13 O ATOM 897 CB SER A 57 -6.068 15.314 -14.611 1.00 74.43 C ATOM 898 OG SER A 57 -7.392 15.753 -14.361 1.00 73.12 O ATOM 0 H SER A 57 -3.396 16.213 -13.100 1.00 55.45 H new ATOM 0 HA SER A 57 -4.932 17.010 -15.277 1.00 63.24 H new ATOM 0 HB2 SER A 57 -5.984 14.970 -15.642 1.00 74.43 H new ATOM 0 HB3 SER A 57 -5.837 14.463 -13.971 1.00 74.43 H new ATOM 0 HG SER A 57 -8.018 15.018 -14.531 1.00 73.12 H new ATOM 904 N ASP A 58 -5.940 16.790 -12.129 1.00 33.31 N ATOM 905 CA ASP A 58 -6.453 17.567 -11.007 1.00 32.30 C ATOM 906 C ASP A 58 -5.902 17.041 -9.685 1.00 13.21 C ATOM 907 O ASP A 58 -6.143 15.892 -9.313 1.00 50.34 O ATOM 908 CB ASP A 58 -7.982 17.529 -10.988 1.00 35.52 C ATOM 909 CG ASP A 58 -8.569 18.414 -9.907 1.00 41.55 C ATOM 910 OD1 ASP A 58 -8.048 19.530 -9.707 1.00 62.30 O ATOM 911 OD2 ASP A 58 -9.551 17.990 -9.261 1.00 61.32 O ATOM 0 H ASP A 58 -5.888 15.786 -11.958 1.00 33.31 H new ATOM 0 HA ASP A 58 -6.125 18.599 -11.132 1.00 32.30 H new ATOM 0 HB2 ASP A 58 -8.363 17.845 -11.959 1.00 35.52 H new ATOM 0 HB3 ASP A 58 -8.315 16.503 -10.834 1.00 35.52 H new ATOM 916 N ASP A 59 -5.160 17.888 -8.980 1.00 11.40 N ATOM 917 CA ASP A 59 -4.575 17.509 -7.699 1.00 2.02 C ATOM 918 C ASP A 59 -5.257 18.246 -6.551 1.00 23.51 C ATOM 919 O ASP A 59 -4.771 19.267 -6.061 1.00 14.24 O ATOM 920 CB ASP A 59 -3.075 17.804 -7.693 1.00 64.44 C ATOM 921 CG ASP A 59 -2.716 18.997 -8.557 1.00 51.04 C ATOM 922 OD1 ASP A 59 -2.497 18.805 -9.772 1.00 75.21 O ATOM 923 OD2 ASP A 59 -2.654 20.122 -8.019 1.00 32.21 O ATOM 0 H ASP A 59 -4.949 18.842 -9.274 1.00 11.40 H new ATOM 0 HA ASP A 59 -4.727 16.439 -7.560 1.00 2.02 H new ATOM 0 HB2 ASP A 59 -2.748 17.989 -6.670 1.00 64.44 H new ATOM 0 HB3 ASP A 59 -2.534 16.927 -8.047 1.00 64.44 H new ATOM 928 N PRO A 60 -6.409 17.721 -6.110 1.00 13.23 N ATOM 929 CA PRO A 60 -7.182 18.313 -5.015 1.00 43.12 C ATOM 930 C PRO A 60 -6.485 18.165 -3.667 1.00 14.14 C ATOM 931 O PRO A 60 -6.869 18.802 -2.685 1.00 75.13 O ATOM 932 CB PRO A 60 -8.489 17.518 -5.031 1.00 53.51 C ATOM 933 CG PRO A 60 -8.129 16.209 -5.646 1.00 61.21 C ATOM 934 CD PRO A 60 -7.047 16.507 -6.647 1.00 75.14 C ATOM 0 HA PRO A 60 -7.319 19.386 -5.148 1.00 43.12 H new ATOM 0 HB2 PRO A 60 -8.885 17.387 -4.024 1.00 53.51 H new ATOM 0 HB3 PRO A 60 -9.257 18.030 -5.611 1.00 53.51 H new ATOM 0 HG2 PRO A 60 -7.779 15.506 -4.890 1.00 61.21 H new ATOM 0 HG3 PRO A 60 -8.993 15.754 -6.129 1.00 61.21 H new ATOM 0 HD2 PRO A 60 -6.338 15.683 -6.729 1.00 75.14 H new ATOM 0 HD3 PRO A 60 -7.457 16.675 -7.643 1.00 75.14 H new ATOM 942 N TYR A 61 -5.461 17.320 -3.625 1.00 11.31 N ATOM 943 CA TYR A 61 -4.712 17.086 -2.397 1.00 24.21 C ATOM 944 C TYR A 61 -3.284 17.611 -2.521 1.00 12.24 C ATOM 945 O TYR A 61 -2.514 17.579 -1.562 1.00 5.01 O ATOM 946 CB TYR A 61 -4.692 15.594 -2.063 1.00 74.01 C ATOM 947 CG TYR A 61 -4.933 14.702 -3.261 1.00 24.50 C ATOM 948 CD1 TYR A 61 -3.995 14.606 -4.281 1.00 61.24 C ATOM 949 CD2 TYR A 61 -6.100 13.956 -3.371 1.00 61.01 C ATOM 950 CE1 TYR A 61 -4.212 13.794 -5.377 1.00 22.01 C ATOM 951 CE2 TYR A 61 -6.325 13.140 -4.463 1.00 1.21 C ATOM 952 CZ TYR A 61 -5.379 13.062 -5.463 1.00 41.25 C ATOM 953 OH TYR A 61 -5.598 12.251 -6.552 1.00 14.31 O ATOM 0 H TYR A 61 -5.131 16.785 -4.428 1.00 11.31 H new ATOM 0 HA TYR A 61 -5.209 17.625 -1.590 1.00 24.21 H new ATOM 0 HB2 TYR A 61 -3.728 15.342 -1.621 1.00 74.01 H new ATOM 0 HB3 TYR A 61 -5.452 15.389 -1.309 1.00 74.01 H new ATOM 0 HD1 TYR A 61 -3.080 15.176 -4.216 1.00 61.24 H new ATOM 0 HD2 TYR A 61 -6.844 14.015 -2.590 1.00 61.01 H new ATOM 0 HE1 TYR A 61 -3.473 13.732 -6.162 1.00 22.01 H new ATOM 0 HE2 TYR A 61 -7.237 12.566 -4.533 1.00 1.21 H new ATOM 0 HH TYR A 61 -6.465 11.804 -6.458 1.00 14.31 H new ATOM 963 N GLY A 62 -2.939 18.094 -3.711 1.00 5.33 N ATOM 964 CA GLY A 62 -1.606 18.619 -3.939 1.00 41.42 C ATOM 965 C GLY A 62 -0.595 17.528 -4.230 1.00 4.01 C ATOM 966 O GLY A 62 0.476 17.489 -3.625 1.00 54.01 O ATOM 0 H GLY A 62 -3.559 18.131 -4.520 1.00 5.33 H new ATOM 0 HA2 GLY A 62 -1.632 19.318 -4.775 1.00 41.42 H new ATOM 0 HA3 GLY A 62 -1.286 19.182 -3.062 1.00 41.42 H new ATOM 970 N SER A 63 -0.936 16.638 -5.157 1.00 4.41 N ATOM 971 CA SER A 63 -0.053 15.539 -5.523 1.00 15.11 C ATOM 972 C SER A 63 0.859 15.934 -6.680 1.00 45.34 C ATOM 973 O SER A 63 1.858 15.269 -6.954 1.00 43.13 O ATOM 974 CB SER A 63 -0.872 14.303 -5.904 1.00 61.45 C ATOM 975 OG SER A 63 -1.543 14.498 -7.136 1.00 13.54 O ATOM 0 H SER A 63 -1.819 16.658 -5.668 1.00 4.41 H new ATOM 0 HA SER A 63 0.568 15.303 -4.659 1.00 15.11 H new ATOM 0 HB2 SER A 63 -0.216 13.436 -5.977 1.00 61.45 H new ATOM 0 HB3 SER A 63 -1.598 14.088 -5.120 1.00 61.45 H new ATOM 0 HG SER A 63 -0.913 14.370 -7.876 1.00 13.54 H new ATOM 981 N TRP A 64 0.507 17.023 -7.355 1.00 32.03 N ATOM 982 CA TRP A 64 1.293 17.510 -8.484 1.00 32.24 C ATOM 983 C TRP A 64 1.430 19.028 -8.438 1.00 14.34 C ATOM 984 O TRP A 64 0.615 19.714 -7.823 1.00 20.33 O ATOM 985 CB TRP A 64 0.647 17.083 -9.803 1.00 73.12 C ATOM 986 CG TRP A 64 0.929 15.657 -10.169 1.00 64.35 C ATOM 987 CD1 TRP A 64 0.072 14.600 -10.068 1.00 4.44 C ATOM 988 CD2 TRP A 64 2.154 15.134 -10.694 1.00 72.42 C ATOM 989 NE1 TRP A 64 0.690 13.450 -10.498 1.00 22.11 N ATOM 990 CE2 TRP A 64 1.968 13.752 -10.888 1.00 11.42 C ATOM 991 CE3 TRP A 64 3.390 15.700 -11.021 1.00 14.41 C ATOM 992 CZ2 TRP A 64 2.971 12.929 -11.393 1.00 32.32 C ATOM 993 CZ3 TRP A 64 4.384 14.882 -11.522 1.00 34.50 C ATOM 994 CH2 TRP A 64 4.171 13.509 -11.703 1.00 53.44 C ATOM 0 H TRP A 64 -0.317 17.585 -7.141 1.00 32.03 H new ATOM 0 HA TRP A 64 2.289 17.073 -8.417 1.00 32.24 H new ATOM 0 HB2 TRP A 64 -0.431 17.226 -9.734 1.00 73.12 H new ATOM 0 HB3 TRP A 64 1.005 17.733 -10.602 1.00 73.12 H new ATOM 0 HD1 TRP A 64 -0.943 14.658 -9.704 1.00 4.44 H new ATOM 0 HE1 TRP A 64 0.266 12.523 -10.523 1.00 22.11 H new ATOM 0 HE3 TRP A 64 3.564 16.757 -10.884 1.00 14.41 H new ATOM 0 HZ2 TRP A 64 2.808 11.871 -11.535 1.00 32.32 H new ATOM 0 HZ3 TRP A 64 5.342 15.308 -11.779 1.00 34.50 H new ATOM 0 HH2 TRP A 64 4.970 12.896 -12.095 1.00 53.44 H new ATOM 1005 N GLU A 65 2.466 19.544 -9.092 1.00 13.21 N ATOM 1006 CA GLU A 65 2.707 20.981 -9.123 1.00 70.24 C ATOM 1007 C GLU A 65 3.221 21.417 -10.494 1.00 1.44 C ATOM 1008 O GLU A 65 4.381 21.188 -10.836 1.00 45.01 O ATOM 1009 CB GLU A 65 3.715 21.376 -8.041 1.00 14.34 C ATOM 1010 CG GLU A 65 3.615 22.832 -7.618 1.00 52.12 C ATOM 1011 CD GLU A 65 4.777 23.267 -6.746 1.00 55.14 C ATOM 1012 OE1 GLU A 65 5.634 22.415 -6.429 1.00 0.34 O ATOM 1013 OE2 GLU A 65 4.830 24.460 -6.381 1.00 74.31 O ATOM 0 H GLU A 65 3.150 18.989 -9.606 1.00 13.21 H new ATOM 0 HA GLU A 65 1.760 21.486 -8.930 1.00 70.24 H new ATOM 0 HB2 GLU A 65 3.565 20.742 -7.167 1.00 14.34 H new ATOM 0 HB3 GLU A 65 4.723 21.181 -8.407 1.00 14.34 H new ATOM 0 HG2 GLU A 65 3.576 23.463 -8.506 1.00 52.12 H new ATOM 0 HG3 GLU A 65 2.682 22.986 -7.077 1.00 52.12 H new ATOM 1020 N TYR A 66 2.347 22.044 -11.273 1.00 52.32 N ATOM 1021 CA TYR A 66 2.709 22.509 -12.607 1.00 41.42 C ATOM 1022 C TYR A 66 3.780 23.593 -12.535 1.00 2.04 C ATOM 1023 O TYR A 66 3.531 24.697 -12.048 1.00 12.22 O ATOM 1024 CB TYR A 66 1.475 23.044 -13.336 1.00 21.31 C ATOM 1025 CG TYR A 66 1.805 23.917 -14.525 1.00 34.41 C ATOM 1026 CD1 TYR A 66 1.995 23.365 -15.786 1.00 30.32 C ATOM 1027 CD2 TYR A 66 1.927 25.294 -14.388 1.00 22.01 C ATOM 1028 CE1 TYR A 66 2.298 24.159 -16.875 1.00 50.12 C ATOM 1029 CE2 TYR A 66 2.228 26.097 -15.472 1.00 34.05 C ATOM 1030 CZ TYR A 66 2.413 25.524 -16.713 1.00 63.12 C ATOM 1031 OH TYR A 66 2.713 26.318 -17.796 1.00 64.33 O ATOM 0 H TYR A 66 1.383 22.242 -11.004 1.00 52.32 H new ATOM 0 HA TYR A 66 3.112 21.662 -13.162 1.00 41.42 H new ATOM 0 HB2 TYR A 66 0.868 22.203 -13.671 1.00 21.31 H new ATOM 0 HB3 TYR A 66 0.868 23.615 -12.634 1.00 21.31 H new ATOM 0 HD1 TYR A 66 1.904 22.297 -15.917 1.00 30.32 H new ATOM 0 HD2 TYR A 66 1.784 25.745 -13.417 1.00 22.01 H new ATOM 0 HE1 TYR A 66 2.444 23.713 -17.848 1.00 50.12 H new ATOM 0 HE2 TYR A 66 2.318 27.166 -15.348 1.00 34.05 H new ATOM 0 HH TYR A 66 2.757 27.255 -17.513 1.00 64.33 H new ATOM 1041 N LEU A 67 4.973 23.270 -13.021 1.00 3.21 N ATOM 1042 CA LEU A 67 6.084 24.215 -13.013 1.00 44.50 C ATOM 1043 C LEU A 67 6.197 24.933 -14.354 1.00 44.03 C ATOM 1044 O LEU A 67 6.766 26.021 -14.441 1.00 4.13 O ATOM 1045 CB LEU A 67 7.394 23.490 -12.697 1.00 3.30 C ATOM 1046 CG LEU A 67 7.318 22.405 -11.622 1.00 42.41 C ATOM 1047 CD1 LEU A 67 8.634 21.649 -11.534 1.00 70.41 C ATOM 1048 CD2 LEU A 67 6.958 23.014 -10.275 1.00 2.33 C ATOM 0 H LEU A 67 5.196 22.361 -13.426 1.00 3.21 H new ATOM 0 HA LEU A 67 5.892 24.958 -12.239 1.00 44.50 H new ATOM 0 HB2 LEU A 67 7.766 23.037 -13.616 1.00 3.30 H new ATOM 0 HB3 LEU A 67 8.130 24.231 -12.386 1.00 3.30 H new ATOM 0 HG LEU A 67 6.535 21.699 -11.899 1.00 42.41 H new ATOM 0 HD11 LEU A 67 8.562 20.881 -10.764 1.00 70.41 H new ATOM 0 HD12 LEU A 67 8.850 21.181 -12.494 1.00 70.41 H new ATOM 0 HD13 LEU A 67 9.436 22.343 -11.280 1.00 70.41 H new ATOM 0 HD21 LEU A 67 6.908 22.228 -9.522 1.00 2.33 H new ATOM 0 HD22 LEU A 67 7.718 23.742 -9.990 1.00 2.33 H new ATOM 0 HD23 LEU A 67 5.990 23.509 -10.347 1.00 2.33 H new ATOM 1060 N GLY A 68 5.649 24.318 -15.397 1.00 74.24 N ATOM 1061 CA GLY A 68 5.699 24.915 -16.720 1.00 41.10 C ATOM 1062 C GLY A 68 5.353 23.926 -17.815 1.00 41.22 C ATOM 1063 O GLY A 68 4.804 22.858 -17.545 1.00 25.20 O ATOM 0 H GLY A 68 5.172 23.418 -15.350 1.00 74.24 H new ATOM 0 HA2 GLY A 68 5.007 25.756 -16.762 1.00 41.10 H new ATOM 0 HA3 GLY A 68 6.697 25.315 -16.898 1.00 41.10 H new ATOM 1067 N GLU A 69 5.673 24.282 -19.055 1.00 63.10 N ATOM 1068 CA GLU A 69 5.389 23.418 -20.195 1.00 60.03 C ATOM 1069 C GLU A 69 6.680 22.980 -20.880 1.00 33.53 C ATOM 1070 O GLU A 69 7.669 23.712 -20.892 1.00 63.14 O ATOM 1071 CB GLU A 69 4.487 24.140 -21.198 1.00 4.33 C ATOM 1072 CG GLU A 69 3.049 23.649 -21.186 1.00 75.05 C ATOM 1073 CD GLU A 69 2.164 24.413 -22.152 1.00 2.21 C ATOM 1074 OE1 GLU A 69 2.205 24.110 -23.362 1.00 62.53 O ATOM 1075 OE2 GLU A 69 1.428 25.315 -21.696 1.00 35.43 O ATOM 0 H GLU A 69 6.129 25.162 -19.296 1.00 63.10 H new ATOM 0 HA GLU A 69 4.874 22.531 -19.827 1.00 60.03 H new ATOM 0 HB2 GLU A 69 4.499 25.208 -20.982 1.00 4.33 H new ATOM 0 HB3 GLU A 69 4.897 24.013 -22.200 1.00 4.33 H new ATOM 0 HG2 GLU A 69 3.029 22.589 -21.441 1.00 75.05 H new ATOM 0 HG3 GLU A 69 2.645 23.742 -20.178 1.00 75.05 H new ATOM 1082 N ALA A 70 6.664 21.778 -21.447 1.00 0.42 N ATOM 1083 CA ALA A 70 7.831 21.241 -22.135 1.00 1.20 C ATOM 1084 C ALA A 70 8.370 22.234 -23.158 1.00 40.44 C ATOM 1085 O ALA A 70 9.578 22.446 -23.255 1.00 14.41 O ATOM 1086 CB ALA A 70 7.487 19.921 -22.807 1.00 12.44 C ATOM 0 H ALA A 70 5.855 21.157 -21.443 1.00 0.42 H new ATOM 0 HA ALA A 70 8.610 21.065 -21.393 1.00 1.20 H new ATOM 0 HB1 ALA A 70 8.368 19.532 -23.317 1.00 12.44 H new ATOM 0 HB2 ALA A 70 7.157 19.205 -22.054 1.00 12.44 H new ATOM 0 HB3 ALA A 70 6.689 20.079 -23.532 1.00 12.44 H new ATOM 1092 N GLU A 71 7.465 22.840 -23.922 1.00 62.01 N ATOM 1093 CA GLU A 71 7.851 23.810 -24.940 1.00 13.20 C ATOM 1094 C GLU A 71 7.202 25.165 -24.675 1.00 34.12 C ATOM 1095 O GLU A 71 6.006 25.362 -24.891 1.00 34.00 O ATOM 1096 CB GLU A 71 7.458 23.307 -26.330 1.00 54.53 C ATOM 1097 CG GLU A 71 8.644 23.077 -27.252 1.00 44.50 C ATOM 1098 CD GLU A 71 8.353 23.474 -28.686 1.00 45.43 C ATOM 1099 OE1 GLU A 71 7.677 22.697 -29.393 1.00 65.12 O ATOM 1100 OE2 GLU A 71 8.801 24.564 -29.103 1.00 32.32 O ATOM 0 H GLU A 71 6.461 22.676 -23.855 1.00 62.01 H new ATOM 0 HA GLU A 71 8.933 23.931 -24.898 1.00 13.20 H new ATOM 0 HB2 GLU A 71 6.903 22.375 -26.226 1.00 54.53 H new ATOM 0 HB3 GLU A 71 6.784 24.029 -26.791 1.00 54.53 H new ATOM 0 HG2 GLU A 71 9.499 23.647 -26.887 1.00 44.50 H new ATOM 0 HG3 GLU A 71 8.926 22.024 -27.220 1.00 44.50 H new ATOM 1107 N PRO A 72 8.008 26.123 -24.193 1.00 75.21 N ATOM 1108 CA PRO A 72 7.535 27.476 -23.888 1.00 2.41 C ATOM 1109 C PRO A 72 7.184 28.265 -25.145 1.00 72.40 C ATOM 1110 O PRO A 72 7.931 28.257 -26.124 1.00 51.23 O ATOM 1111 CB PRO A 72 8.726 28.115 -23.170 1.00 23.34 C ATOM 1112 CG PRO A 72 9.913 27.366 -23.667 1.00 75.44 C ATOM 1113 CD PRO A 72 9.444 25.959 -23.911 1.00 13.31 C ATOM 0 HA PRO A 72 6.620 27.464 -23.296 1.00 2.41 H new ATOM 0 HB2 PRO A 72 8.803 29.178 -23.400 1.00 23.34 H new ATOM 0 HB3 PRO A 72 8.628 28.029 -22.088 1.00 23.34 H new ATOM 0 HG2 PRO A 72 10.300 27.812 -24.583 1.00 75.44 H new ATOM 0 HG3 PRO A 72 10.721 27.386 -22.936 1.00 75.44 H new ATOM 0 HD2 PRO A 72 9.968 25.500 -24.749 1.00 13.31 H new ATOM 0 HD3 PRO A 72 9.613 25.323 -23.042 1.00 13.31 H new ATOM 1121 N THR A 73 6.044 28.948 -25.112 1.00 31.52 N ATOM 1122 CA THR A 73 5.595 29.742 -26.248 1.00 32.42 C ATOM 1123 C THR A 73 5.365 31.194 -25.847 1.00 42.52 C ATOM 1124 O THR A 73 6.166 31.784 -25.122 1.00 62.32 O ATOM 1125 CB THR A 73 4.296 29.175 -26.851 1.00 70.31 C ATOM 1126 OG1 THR A 73 3.600 28.398 -25.871 1.00 1.51 O ATOM 1127 CG2 THR A 73 4.595 28.315 -28.070 1.00 21.42 C ATOM 0 H THR A 73 5.415 28.967 -24.310 1.00 31.52 H new ATOM 0 HA THR A 73 6.385 29.696 -26.998 1.00 32.42 H new ATOM 0 HB THR A 73 3.670 30.012 -27.162 1.00 70.31 H new ATOM 0 HG1 THR A 73 2.774 28.042 -26.261 1.00 1.51 H new ATOM 0 HG21 THR A 73 3.662 27.926 -28.478 1.00 21.42 H new ATOM 0 HG22 THR A 73 5.099 28.918 -28.826 1.00 21.42 H new ATOM 0 HG23 THR A 73 5.239 27.484 -27.780 1.00 21.42 H new TER 1135 THR A 73