USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -140:sc= -1.56 USER MOD Set 1.2: A 21 MET CE :methyl -164:sc= -5.22! (180deg=-6.18!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.799 K(o=1.8,f=-10!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 144:sc= 1.04 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.86 K(o=-0.86,f=-0.13) USER MOD Single : A 4 SER OG : rot 120:sc= -0.0504 USER MOD Single : A 15 THR OG1 : rot 68:sc= 0.0384 USER MOD Single : A 22 MET CE :methyl -173:sc= -3.45! (180deg=-3.67) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 100:sc= 0.272 USER MOD Single : A 28 SER OG : rot 180:sc= -0.345 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.177 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -142:sc= -8.29! (180deg=-17.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -7.52! C(o=-7.5!,f=-4.6!) USER MOD Single : A 47 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.35) USER MOD Single : A 51 MET CE :methyl 176:sc= -0.79 (180deg=-0.825) USER MOD Single : A 53 THR OG1 : rot -140:sc= -0.356 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.21! USER MOD Single : A 56 MET CE :methyl -151:sc= -3.72! (180deg=-4.58!) USER MOD Single : A 59 MET CE :methyl 170:sc= -4.97! (180deg=-5.31!) USER MOD Single : A 63 TYR OH : rot 165:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.041 0.558 -4.950 1.00 23.04 N ATOM 33 CA GLN A 2 -1.614 1.631 -5.744 1.00 44.21 C ATOM 34 C GLN A 2 -2.344 1.059 -6.961 1.00 14.35 C ATOM 35 O GLN A 2 -1.789 0.245 -7.697 1.00 10.33 O ATOM 36 CB GLN A 2 -0.538 2.632 -6.171 1.00 62.42 C ATOM 37 CG GLN A 2 0.537 1.951 -7.021 1.00 4.20 C ATOM 38 CD GLN A 2 0.725 2.679 -8.354 1.00 33.22 C ATOM 39 OE1 GLN A 2 1.831 2.946 -8.795 1.00 34.32 O ATOM 40 NE2 GLN A 2 -0.415 2.984 -8.969 1.00 24.34 N ATOM 0 HA GLN A 2 -2.338 2.166 -5.129 1.00 44.21 H new ATOM 0 HB2 GLN A 2 -0.995 3.443 -6.738 1.00 62.42 H new ATOM 0 HB3 GLN A 2 -0.080 3.078 -5.288 1.00 62.42 H new ATOM 0 HG2 GLN A 2 1.481 1.934 -6.475 1.00 4.20 H new ATOM 0 HG3 GLN A 2 0.257 0.914 -7.205 1.00 4.20 H new ATOM 0 HE21 GLN A 2 -1.307 2.731 -8.544 1.00 24.34 H new ATOM 0 HE22 GLN A 2 -0.397 3.471 -9.865 1.00 24.34 H new ATOM 49 N GLU A 3 -3.579 1.508 -7.134 1.00 61.11 N ATOM 50 CA GLU A 3 -4.391 1.051 -8.249 1.00 35.13 C ATOM 51 C GLU A 3 -3.769 1.491 -9.575 1.00 64.31 C ATOM 52 O GLU A 3 -3.405 2.654 -9.739 1.00 0.44 O ATOM 53 CB GLU A 3 -5.829 1.558 -8.123 1.00 54.33 C ATOM 54 CG GLU A 3 -6.726 0.508 -7.464 1.00 1.31 C ATOM 55 CD GLU A 3 -8.164 1.016 -7.337 1.00 45.43 C ATOM 56 OE1 GLU A 3 -8.380 2.171 -6.941 1.00 53.21 O ATOM 57 OE2 GLU A 3 -9.074 0.165 -7.669 1.00 21.31 O ATOM 0 H GLU A 3 -4.036 2.183 -6.521 1.00 61.11 H new ATOM 0 HA GLU A 3 -4.421 -0.038 -8.229 1.00 35.13 H new ATOM 0 HB2 GLU A 3 -5.844 2.475 -7.535 1.00 54.33 H new ATOM 0 HB3 GLU A 3 -6.219 1.806 -9.110 1.00 54.33 H new ATOM 0 HG2 GLU A 3 -6.711 -0.409 -8.053 1.00 1.31 H new ATOM 0 HG3 GLU A 3 -6.336 0.259 -6.477 1.00 1.31 H new ATOM 65 N SER A 4 -3.665 0.537 -10.489 1.00 24.34 N ATOM 66 CA SER A 4 -3.092 0.811 -11.796 1.00 0.15 C ATOM 67 C SER A 4 -4.150 0.613 -12.883 1.00 32.14 C ATOM 68 O SER A 4 -5.011 -0.258 -12.765 1.00 0.14 O ATOM 69 CB SER A 4 -1.880 -0.084 -12.065 1.00 14.52 C ATOM 70 OG SER A 4 -1.237 -0.488 -10.859 1.00 43.43 O ATOM 0 H SER A 4 -3.968 -0.427 -10.350 1.00 24.34 H new ATOM 0 HA SER A 4 -2.754 1.847 -11.811 1.00 0.15 H new ATOM 0 HB2 SER A 4 -2.197 -0.967 -12.620 1.00 14.52 H new ATOM 0 HB3 SER A 4 -1.168 0.450 -12.695 1.00 14.52 H new ATOM 0 HG SER A 4 -1.250 -1.466 -10.793 1.00 43.43 H new ATOM 76 N VAL A 5 -4.051 1.435 -13.917 1.00 15.24 N ATOM 77 CA VAL A 5 -4.989 1.361 -15.024 1.00 15.31 C ATOM 78 C VAL A 5 -4.976 -0.054 -15.605 1.00 22.24 C ATOM 79 O VAL A 5 -3.911 -0.636 -15.806 1.00 20.12 O ATOM 80 CB VAL A 5 -4.660 2.436 -16.062 1.00 0.44 C ATOM 81 CG1 VAL A 5 -5.496 2.250 -17.329 1.00 35.31 C ATOM 82 CG2 VAL A 5 -4.852 3.838 -15.479 1.00 34.11 C ATOM 0 H VAL A 5 -3.336 2.156 -14.012 1.00 15.24 H new ATOM 0 HA VAL A 5 -6.003 1.561 -14.678 1.00 15.31 H new ATOM 0 HB VAL A 5 -3.610 2.327 -16.335 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -5.242 3.027 -18.050 1.00 35.31 H new ATOM 0 HG12 VAL A 5 -5.288 1.272 -17.762 1.00 35.31 H new ATOM 0 HG13 VAL A 5 -6.555 2.318 -17.080 1.00 35.31 H new ATOM 0 HG21 VAL A 5 -4.612 4.583 -16.237 1.00 34.11 H new ATOM 0 HG22 VAL A 5 -5.888 3.962 -15.164 1.00 34.11 H new ATOM 0 HG23 VAL A 5 -4.193 3.968 -14.620 1.00 34.11 H new ATOM 92 N VAL A 6 -6.171 -0.567 -15.858 1.00 22.14 N ATOM 93 CA VAL A 6 -6.310 -1.903 -16.411 1.00 63.42 C ATOM 94 C VAL A 6 -7.381 -1.889 -17.503 1.00 72.53 C ATOM 95 O VAL A 6 -8.521 -1.501 -17.254 1.00 74.03 O ATOM 96 CB VAL A 6 -6.608 -2.905 -15.293 1.00 55.53 C ATOM 97 CG1 VAL A 6 -6.980 -4.273 -15.868 1.00 23.02 C ATOM 98 CG2 VAL A 6 -5.427 -3.017 -14.328 1.00 62.10 C ATOM 0 H VAL A 6 -7.052 -0.081 -15.690 1.00 22.14 H new ATOM 0 HA VAL A 6 -5.377 -2.223 -16.875 1.00 63.42 H new ATOM 0 HB VAL A 6 -7.465 -2.535 -14.730 1.00 55.53 H new ATOM 0 HG11 VAL A 6 -7.187 -4.966 -15.053 1.00 23.02 H new ATOM 0 HG12 VAL A 6 -7.866 -4.175 -16.495 1.00 23.02 H new ATOM 0 HG13 VAL A 6 -6.152 -4.653 -16.467 1.00 23.02 H new ATOM 0 HG21 VAL A 6 -5.665 -3.735 -13.543 1.00 62.10 H new ATOM 0 HG22 VAL A 6 -4.544 -3.353 -14.871 1.00 62.10 H new ATOM 0 HG23 VAL A 6 -5.229 -2.043 -13.880 1.00 62.10 H new ATOM 108 N ALA A 7 -6.977 -2.318 -18.690 1.00 22.11 N ATOM 109 CA ALA A 7 -7.888 -2.360 -19.821 1.00 50.20 C ATOM 110 C ALA A 7 -9.161 -3.107 -19.418 1.00 24.32 C ATOM 111 O ALA A 7 -9.170 -4.336 -19.357 1.00 55.23 O ATOM 112 CB ALA A 7 -7.187 -3.005 -21.018 1.00 30.41 C ATOM 0 H ALA A 7 -6.031 -2.640 -18.893 1.00 22.11 H new ATOM 0 HA ALA A 7 -8.178 -1.352 -20.118 1.00 50.20 H new ATOM 0 HB1 ALA A 7 -7.871 -3.036 -21.866 1.00 30.41 H new ATOM 0 HB2 ALA A 7 -6.307 -2.420 -21.283 1.00 30.41 H new ATOM 0 HB3 ALA A 7 -6.884 -4.019 -20.759 1.00 30.41 H new ATOM 118 N ALA A 8 -10.204 -2.334 -19.152 1.00 64.54 N ATOM 119 CA ALA A 8 -11.479 -2.908 -18.757 1.00 24.13 C ATOM 120 C ALA A 8 -12.075 -3.678 -19.937 1.00 10.31 C ATOM 121 O ALA A 8 -13.064 -4.393 -19.781 1.00 4.45 O ATOM 122 CB ALA A 8 -12.405 -1.798 -18.257 1.00 1.23 C ATOM 0 H ALA A 8 -10.192 -1.315 -19.202 1.00 64.54 H new ATOM 0 HA ALA A 8 -11.345 -3.614 -17.938 1.00 24.13 H new ATOM 0 HB1 ALA A 8 -13.362 -2.228 -17.961 1.00 1.23 H new ATOM 0 HB2 ALA A 8 -11.949 -1.302 -17.400 1.00 1.23 H new ATOM 0 HB3 ALA A 8 -12.565 -1.071 -19.054 1.00 1.23 H new ATOM 128 N VAL A 9 -11.449 -3.505 -21.092 1.00 1.03 N ATOM 129 CA VAL A 9 -11.905 -4.174 -22.298 1.00 34.31 C ATOM 130 C VAL A 9 -10.746 -4.273 -23.291 1.00 62.01 C ATOM 131 O VAL A 9 -9.686 -3.688 -23.073 1.00 62.14 O ATOM 132 CB VAL A 9 -13.123 -3.447 -22.871 1.00 52.22 C ATOM 133 CG1 VAL A 9 -14.315 -3.535 -21.915 1.00 64.14 C ATOM 134 CG2 VAL A 9 -12.788 -1.990 -23.197 1.00 53.11 C ATOM 0 H VAL A 9 -10.629 -2.911 -21.218 1.00 1.03 H new ATOM 0 HA VAL A 9 -12.227 -5.191 -22.072 1.00 34.31 H new ATOM 0 HB VAL A 9 -13.402 -3.943 -23.801 1.00 52.22 H new ATOM 0 HG11 VAL A 9 -15.167 -3.010 -22.347 1.00 64.14 H new ATOM 0 HG12 VAL A 9 -14.576 -4.581 -21.755 1.00 64.14 H new ATOM 0 HG13 VAL A 9 -14.052 -3.077 -20.962 1.00 64.14 H new ATOM 0 HG21 VAL A 9 -13.671 -1.496 -23.603 1.00 53.11 H new ATOM 0 HG22 VAL A 9 -12.471 -1.478 -22.289 1.00 53.11 H new ATOM 0 HG23 VAL A 9 -11.984 -1.957 -23.932 1.00 53.11 H new ATOM 144 N LEU A 10 -10.986 -5.018 -24.360 1.00 52.54 N ATOM 145 CA LEU A 10 -9.975 -5.200 -25.388 1.00 31.42 C ATOM 146 C LEU A 10 -9.698 -3.859 -26.069 1.00 52.23 C ATOM 147 O LEU A 10 -10.488 -3.403 -26.895 1.00 31.13 O ATOM 148 CB LEU A 10 -10.391 -6.309 -26.357 1.00 43.54 C ATOM 149 CG LEU A 10 -9.560 -6.426 -27.637 1.00 73.41 C ATOM 150 CD1 LEU A 10 -8.367 -7.362 -27.432 1.00 75.23 C ATOM 151 CD2 LEU A 10 -10.432 -6.858 -28.818 1.00 65.33 C ATOM 0 H LEU A 10 -11.866 -5.503 -24.537 1.00 52.54 H new ATOM 0 HA LEU A 10 -9.036 -5.531 -24.945 1.00 31.42 H new ATOM 0 HB2 LEU A 10 -10.346 -7.262 -25.829 1.00 43.54 H new ATOM 0 HB3 LEU A 10 -11.432 -6.149 -26.636 1.00 43.54 H new ATOM 0 HG LEU A 10 -9.159 -5.441 -27.876 1.00 73.41 H new ATOM 0 HD11 LEU A 10 -7.793 -7.428 -28.356 1.00 75.23 H new ATOM 0 HD12 LEU A 10 -7.731 -6.972 -26.637 1.00 75.23 H new ATOM 0 HD13 LEU A 10 -8.726 -8.354 -27.156 1.00 75.23 H new ATOM 0 HD21 LEU A 10 -9.818 -6.934 -29.715 1.00 65.33 H new ATOM 0 HD22 LEU A 10 -10.881 -7.827 -28.603 1.00 65.33 H new ATOM 0 HD23 LEU A 10 -11.219 -6.121 -28.978 1.00 65.33 H new ATOM 163 N ILE A 11 -8.574 -3.264 -25.698 1.00 41.14 N ATOM 164 CA ILE A 11 -8.183 -1.984 -26.264 1.00 10.44 C ATOM 165 C ILE A 11 -7.154 -2.213 -27.372 1.00 70.44 C ATOM 166 O ILE A 11 -6.012 -2.578 -27.098 1.00 43.03 O ATOM 167 CB ILE A 11 -7.700 -1.037 -25.163 1.00 30.11 C ATOM 168 CG1 ILE A 11 -8.354 -1.377 -23.822 1.00 0.41 C ATOM 169 CG2 ILE A 11 -7.927 0.424 -25.558 1.00 24.34 C ATOM 170 CD1 ILE A 11 -8.373 -0.158 -22.897 1.00 4.01 C ATOM 0 H ILE A 11 -7.922 -3.644 -25.012 1.00 41.14 H new ATOM 0 HA ILE A 11 -9.041 -1.493 -26.723 1.00 10.44 H new ATOM 0 HB ILE A 11 -6.626 -1.174 -25.041 1.00 30.11 H new ATOM 0 HG12 ILE A 11 -9.373 -1.728 -23.989 1.00 0.41 H new ATOM 0 HG13 ILE A 11 -7.810 -2.192 -23.344 1.00 0.41 H new ATOM 0 HG21 ILE A 11 -7.575 1.076 -24.758 1.00 24.34 H new ATOM 0 HG22 ILE A 11 -7.377 0.643 -26.473 1.00 24.34 H new ATOM 0 HG23 ILE A 11 -8.991 0.595 -25.724 1.00 24.34 H new ATOM 0 HD11 ILE A 11 -8.843 -0.426 -21.951 1.00 4.01 H new ATOM 0 HD12 ILE A 11 -7.352 0.175 -22.713 1.00 4.01 H new ATOM 0 HD13 ILE A 11 -8.938 0.647 -23.367 1.00 4.01 H new ATOM 182 N PRO A 12 -7.608 -1.985 -28.634 1.00 3.41 N ATOM 183 CA PRO A 12 -6.739 -2.163 -29.785 1.00 54.22 C ATOM 184 C PRO A 12 -5.737 -1.012 -29.900 1.00 35.13 C ATOM 185 O PRO A 12 -5.818 -0.038 -29.153 1.00 44.11 O ATOM 186 CB PRO A 12 -7.679 -2.253 -30.976 1.00 52.15 C ATOM 187 CG PRO A 12 -8.999 -1.660 -30.512 1.00 13.42 C ATOM 188 CD PRO A 12 -8.954 -1.552 -28.996 1.00 52.03 C ATOM 0 HA PRO A 12 -6.122 -3.059 -29.712 1.00 54.22 H new ATOM 0 HB2 PRO A 12 -7.282 -1.703 -31.829 1.00 52.15 H new ATOM 0 HB3 PRO A 12 -7.806 -3.287 -31.295 1.00 52.15 H new ATOM 0 HG2 PRO A 12 -9.155 -0.679 -30.960 1.00 13.42 H new ATOM 0 HG3 PRO A 12 -9.832 -2.290 -30.825 1.00 13.42 H new ATOM 0 HD2 PRO A 12 -9.144 -0.531 -28.666 1.00 52.03 H new ATOM 0 HD3 PRO A 12 -9.712 -2.183 -28.531 1.00 52.03 H new ATOM 196 N ILE A 13 -4.817 -1.163 -30.841 1.00 1.15 N ATOM 197 CA ILE A 13 -3.801 -0.148 -31.063 1.00 24.44 C ATOM 198 C ILE A 13 -4.461 1.116 -31.617 1.00 65.31 C ATOM 199 O ILE A 13 -5.525 1.047 -32.229 1.00 71.15 O ATOM 200 CB ILE A 13 -2.681 -0.697 -31.949 1.00 4.11 C ATOM 201 CG1 ILE A 13 -1.599 0.360 -32.183 1.00 54.04 C ATOM 202 CG2 ILE A 13 -3.240 -1.246 -33.263 1.00 14.41 C ATOM 203 CD1 ILE A 13 -0.311 -0.280 -32.704 1.00 3.15 C ATOM 0 H ILE A 13 -4.754 -1.972 -31.458 1.00 1.15 H new ATOM 0 HA ILE A 13 -3.325 0.128 -30.122 1.00 24.44 H new ATOM 0 HB ILE A 13 -2.210 -1.530 -31.427 1.00 4.11 H new ATOM 0 HG12 ILE A 13 -1.957 1.100 -32.899 1.00 54.04 H new ATOM 0 HG13 ILE A 13 -1.396 0.890 -31.252 1.00 54.04 H new ATOM 0 HG21 ILE A 13 -2.423 -1.630 -33.874 1.00 14.41 H new ATOM 0 HG22 ILE A 13 -3.944 -2.051 -33.051 1.00 14.41 H new ATOM 0 HG23 ILE A 13 -3.752 -0.449 -33.802 1.00 14.41 H new ATOM 0 HD11 ILE A 13 0.441 0.493 -32.862 1.00 3.15 H new ATOM 0 HD12 ILE A 13 0.058 -1.002 -31.975 1.00 3.15 H new ATOM 0 HD13 ILE A 13 -0.513 -0.788 -33.647 1.00 3.15 H new ATOM 215 N ASN A 14 -3.801 2.241 -31.383 1.00 20.43 N ATOM 216 CA ASN A 14 -4.310 3.518 -31.851 1.00 53.31 C ATOM 217 C ASN A 14 -5.819 3.581 -31.607 1.00 54.15 C ATOM 218 O ASN A 14 -6.586 3.898 -32.516 1.00 22.20 O ATOM 219 CB ASN A 14 -4.066 3.692 -33.351 1.00 60.14 C ATOM 220 CG ASN A 14 -2.682 4.287 -33.616 1.00 44.22 C ATOM 221 OD1 ASN A 14 -2.321 5.337 -33.109 1.00 74.14 O ATOM 222 ND2 ASN A 14 -1.928 3.560 -34.437 1.00 12.45 N ATOM 0 H ASN A 14 -2.918 2.294 -30.875 1.00 20.43 H new ATOM 0 HA ASN A 14 -3.791 4.307 -31.307 1.00 53.31 H new ATOM 0 HB2 ASN A 14 -4.153 2.728 -33.851 1.00 60.14 H new ATOM 0 HB3 ASN A 14 -4.832 4.341 -33.775 1.00 60.14 H new ATOM 0 HD21 ASN A 14 -0.987 3.873 -34.676 1.00 12.45 H new ATOM 0 HD22 ASN A 14 -2.291 2.690 -34.827 1.00 12.45 H new ATOM 229 N THR A 15 -6.201 3.274 -30.376 1.00 51.34 N ATOM 230 CA THR A 15 -7.605 3.292 -30.002 1.00 21.02 C ATOM 231 C THR A 15 -7.840 4.286 -28.863 1.00 35.23 C ATOM 232 O THR A 15 -7.303 4.121 -27.769 1.00 24.31 O ATOM 233 CB THR A 15 -8.020 1.861 -29.655 1.00 23.30 C ATOM 234 OG1 THR A 15 -7.900 1.156 -30.888 1.00 3.13 O ATOM 235 CG2 THR A 15 -9.505 1.750 -29.306 1.00 32.15 C ATOM 0 H THR A 15 -5.563 3.011 -29.625 1.00 51.34 H new ATOM 0 HA THR A 15 -8.230 3.636 -30.826 1.00 21.02 H new ATOM 0 HB THR A 15 -7.422 1.503 -28.816 1.00 23.30 H new ATOM 0 HG1 THR A 15 -6.955 1.092 -31.138 1.00 3.13 H new ATOM 0 HG21 THR A 15 -9.746 0.714 -29.068 1.00 32.15 H new ATOM 0 HG22 THR A 15 -9.724 2.381 -28.445 1.00 32.15 H new ATOM 0 HG23 THR A 15 -10.104 2.076 -30.156 1.00 32.15 H new ATOM 243 N ALA A 16 -8.645 5.296 -29.159 1.00 1.14 N ATOM 244 CA ALA A 16 -8.958 6.317 -28.173 1.00 33.41 C ATOM 245 C ALA A 16 -9.402 5.644 -26.872 1.00 43.11 C ATOM 246 O ALA A 16 -10.277 4.780 -26.883 1.00 13.42 O ATOM 247 CB ALA A 16 -10.025 7.259 -28.735 1.00 4.01 C ATOM 0 H ALA A 16 -9.090 5.429 -30.067 1.00 1.14 H new ATOM 0 HA ALA A 16 -8.077 6.918 -27.950 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -10.260 8.025 -27.996 1.00 4.01 H new ATOM 0 HB2 ALA A 16 -9.650 7.733 -29.642 1.00 4.01 H new ATOM 0 HB3 ALA A 16 -10.926 6.691 -28.968 1.00 4.01 H new ATOM 253 N LEU A 17 -8.777 6.066 -25.783 1.00 23.34 N ATOM 254 CA LEU A 17 -9.096 5.515 -24.476 1.00 41.03 C ATOM 255 C LEU A 17 -10.296 6.262 -23.892 1.00 53.31 C ATOM 256 O LEU A 17 -10.398 7.481 -24.025 1.00 72.20 O ATOM 257 CB LEU A 17 -7.862 5.531 -23.572 1.00 2.30 C ATOM 258 CG LEU A 17 -6.689 4.657 -24.022 1.00 13.24 C ATOM 259 CD1 LEU A 17 -5.422 4.992 -23.233 1.00 43.52 C ATOM 260 CD2 LEU A 17 -7.046 3.172 -23.929 1.00 45.15 C ATOM 0 H LEU A 17 -8.051 6.783 -25.778 1.00 23.34 H new ATOM 0 HA LEU A 17 -9.384 4.467 -24.564 1.00 41.03 H new ATOM 0 HB2 LEU A 17 -7.511 6.560 -23.488 1.00 2.30 H new ATOM 0 HB3 LEU A 17 -8.163 5.214 -22.574 1.00 2.30 H new ATOM 0 HG LEU A 17 -6.483 4.874 -25.070 1.00 13.24 H new ATOM 0 HD11 LEU A 17 -4.604 4.357 -23.572 1.00 43.52 H new ATOM 0 HD12 LEU A 17 -5.160 6.038 -23.393 1.00 43.52 H new ATOM 0 HD13 LEU A 17 -5.599 4.820 -22.171 1.00 43.52 H new ATOM 0 HD21 LEU A 17 -6.196 2.572 -24.254 1.00 45.15 H new ATOM 0 HD22 LEU A 17 -7.293 2.921 -22.898 1.00 45.15 H new ATOM 0 HD23 LEU A 17 -7.903 2.963 -24.569 1.00 45.15 H new ATOM 272 N THR A 18 -11.175 5.501 -23.257 1.00 72.45 N ATOM 273 CA THR A 18 -12.365 6.075 -22.652 1.00 43.34 C ATOM 274 C THR A 18 -12.471 5.659 -21.184 1.00 64.32 C ATOM 275 O THR A 18 -11.722 4.798 -20.724 1.00 3.33 O ATOM 276 CB THR A 18 -13.573 5.655 -23.492 1.00 64.21 C ATOM 277 OG1 THR A 18 -13.285 4.310 -23.864 1.00 73.42 O ATOM 278 CG2 THR A 18 -13.648 6.402 -24.825 1.00 41.11 C ATOM 0 H THR A 18 -11.087 4.491 -23.148 1.00 72.45 H new ATOM 0 HA THR A 18 -12.319 7.164 -22.646 1.00 43.34 H new ATOM 0 HB THR A 18 -14.488 5.831 -22.926 1.00 64.21 H new ATOM 0 HG1 THR A 18 -13.559 4.162 -24.793 1.00 73.42 H new ATOM 0 HG21 THR A 18 -14.523 6.066 -25.381 1.00 41.11 H new ATOM 0 HG22 THR A 18 -13.726 7.473 -24.638 1.00 41.11 H new ATOM 0 HG23 THR A 18 -12.749 6.200 -25.407 1.00 41.11 H new ATOM 286 N VAL A 19 -13.407 6.288 -20.490 1.00 2.34 N ATOM 287 CA VAL A 19 -13.620 5.994 -19.083 1.00 34.21 C ATOM 288 C VAL A 19 -14.372 4.668 -18.952 1.00 75.24 C ATOM 289 O VAL A 19 -14.440 4.093 -17.867 1.00 71.53 O ATOM 290 CB VAL A 19 -14.344 7.161 -18.408 1.00 34.41 C ATOM 291 CG1 VAL A 19 -15.862 6.988 -18.494 1.00 71.41 C ATOM 292 CG2 VAL A 19 -13.892 7.320 -16.955 1.00 70.30 C ATOM 0 H VAL A 19 -14.027 7.000 -20.876 1.00 2.34 H new ATOM 0 HA VAL A 19 -12.666 5.879 -18.568 1.00 34.21 H new ATOM 0 HB VAL A 19 -14.080 8.073 -18.943 1.00 34.41 H new ATOM 0 HG11 VAL A 19 -16.352 7.831 -18.007 1.00 71.41 H new ATOM 0 HG12 VAL A 19 -16.165 6.947 -19.540 1.00 71.41 H new ATOM 0 HG13 VAL A 19 -16.152 6.063 -17.996 1.00 71.41 H new ATOM 0 HG21 VAL A 19 -14.422 8.156 -16.499 1.00 70.30 H new ATOM 0 HG22 VAL A 19 -14.112 6.406 -16.403 1.00 70.30 H new ATOM 0 HG23 VAL A 19 -12.819 7.511 -16.927 1.00 70.30 H new ATOM 302 N GLY A 20 -14.919 4.221 -20.074 1.00 2.22 N ATOM 303 CA GLY A 20 -15.663 2.974 -20.099 1.00 34.35 C ATOM 304 C GLY A 20 -14.830 1.850 -20.718 1.00 72.02 C ATOM 305 O GLY A 20 -15.350 0.773 -21.007 1.00 54.40 O ATOM 0 H GLY A 20 -14.861 4.701 -20.972 1.00 2.22 H new ATOM 0 HA2 GLY A 20 -15.954 2.700 -19.085 1.00 34.35 H new ATOM 0 HA3 GLY A 20 -16.582 3.106 -20.669 1.00 34.35 H new ATOM 309 N MET A 21 -13.551 2.139 -20.904 1.00 64.12 N ATOM 310 CA MET A 21 -12.640 1.166 -21.484 1.00 53.23 C ATOM 311 C MET A 21 -11.548 0.774 -20.487 1.00 12.30 C ATOM 312 O MET A 21 -11.080 -0.363 -20.489 1.00 43.01 O ATOM 313 CB MET A 21 -11.997 1.755 -22.741 1.00 43.22 C ATOM 314 CG MET A 21 -12.754 1.324 -23.999 1.00 32.24 C ATOM 315 SD MET A 21 -11.604 1.015 -25.328 1.00 51.54 S ATOM 316 CE MET A 21 -10.555 2.451 -25.170 1.00 23.34 C ATOM 0 H MET A 21 -13.123 3.033 -20.663 1.00 64.12 H new ATOM 0 HA MET A 21 -13.208 0.272 -21.741 1.00 53.23 H new ATOM 0 HB2 MET A 21 -11.987 2.843 -22.673 1.00 43.22 H new ATOM 0 HB3 MET A 21 -10.959 1.431 -22.808 1.00 43.22 H new ATOM 0 HG2 MET A 21 -13.335 0.425 -23.794 1.00 32.24 H new ATOM 0 HG3 MET A 21 -13.461 2.100 -24.292 1.00 32.24 H new ATOM 0 HE1 MET A 21 -9.965 2.572 -26.078 1.00 23.34 H new ATOM 0 HE2 MET A 21 -11.171 3.337 -25.017 1.00 23.34 H new ATOM 0 HE3 MET A 21 -9.887 2.322 -24.318 1.00 23.34 H new ATOM 326 N MET A 22 -11.174 1.738 -19.659 1.00 14.44 N ATOM 327 CA MET A 22 -10.146 1.508 -18.658 1.00 12.41 C ATOM 328 C MET A 22 -10.767 1.207 -17.293 1.00 34.53 C ATOM 329 O MET A 22 -11.988 1.233 -17.143 1.00 20.44 O ATOM 330 CB MET A 22 -9.253 2.746 -18.550 1.00 62.31 C ATOM 331 CG MET A 22 -8.422 2.935 -19.821 1.00 70.51 C ATOM 332 SD MET A 22 -7.679 4.558 -19.829 1.00 72.54 S ATOM 333 CE MET A 22 -9.129 5.560 -20.111 1.00 3.41 C ATOM 0 H MET A 22 -11.564 2.680 -19.661 1.00 14.44 H new ATOM 0 HA MET A 22 -9.553 0.646 -18.965 1.00 12.41 H new ATOM 0 HB2 MET A 22 -9.869 3.629 -18.379 1.00 62.31 H new ATOM 0 HB3 MET A 22 -8.591 2.647 -17.690 1.00 62.31 H new ATOM 0 HG2 MET A 22 -7.647 2.171 -19.875 1.00 70.51 H new ATOM 0 HG3 MET A 22 -9.054 2.811 -20.700 1.00 70.51 H new ATOM 0 HE1 MET A 22 -8.830 6.596 -20.269 1.00 3.41 H new ATOM 0 HE2 MET A 22 -9.657 5.196 -20.993 1.00 3.41 H new ATOM 0 HE3 MET A 22 -9.787 5.500 -19.244 1.00 3.41 H new ATOM 343 N THR A 23 -9.899 0.927 -16.332 1.00 31.11 N ATOM 344 CA THR A 23 -10.347 0.620 -14.984 1.00 52.41 C ATOM 345 C THR A 23 -9.167 0.644 -14.011 1.00 65.23 C ATOM 346 O THR A 23 -8.014 0.742 -14.430 1.00 72.43 O ATOM 347 CB THR A 23 -11.076 -0.724 -15.023 1.00 32.14 C ATOM 348 OG1 THR A 23 -12.053 -0.619 -13.990 1.00 24.31 O ATOM 349 CG2 THR A 23 -10.186 -1.886 -14.577 1.00 60.00 C ATOM 0 H THR A 23 -8.887 0.906 -16.460 1.00 31.11 H new ATOM 0 HA THR A 23 -11.044 1.374 -14.618 1.00 52.41 H new ATOM 0 HB THR A 23 -11.438 -0.911 -16.034 1.00 32.14 H new ATOM 0 HG1 THR A 23 -12.573 -1.448 -13.946 1.00 24.31 H new ATOM 0 HG21 THR A 23 -10.752 -2.816 -14.623 1.00 60.00 H new ATOM 0 HG22 THR A 23 -9.320 -1.955 -15.236 1.00 60.00 H new ATOM 0 HG23 THR A 23 -9.851 -1.716 -13.554 1.00 60.00 H new ATOM 357 N THR A 24 -9.494 0.552 -12.731 1.00 12.21 N ATOM 358 CA THR A 24 -8.475 0.562 -11.695 1.00 72.40 C ATOM 359 C THR A 24 -8.407 -0.801 -11.002 1.00 43.40 C ATOM 360 O THR A 24 -9.437 -1.400 -10.699 1.00 55.34 O ATOM 361 CB THR A 24 -8.784 1.715 -10.739 1.00 0.24 C ATOM 362 OG1 THR A 24 -10.089 1.420 -10.249 1.00 54.42 O ATOM 363 CG2 THR A 24 -8.952 3.051 -11.466 1.00 63.55 C ATOM 0 H THR A 24 -10.451 0.470 -12.387 1.00 12.21 H new ATOM 0 HA THR A 24 -7.483 0.728 -12.116 1.00 72.40 H new ATOM 0 HB THR A 24 -7.984 1.800 -10.004 1.00 0.24 H new ATOM 0 HG1 THR A 24 -10.020 1.012 -9.361 1.00 54.42 H new ATOM 0 HG21 THR A 24 -9.170 3.835 -10.741 1.00 63.55 H new ATOM 0 HG22 THR A 24 -8.032 3.294 -11.998 1.00 63.55 H new ATOM 0 HG23 THR A 24 -9.774 2.977 -12.178 1.00 63.55 H new ATOM 371 N ARG A 25 -7.182 -1.250 -10.771 1.00 31.12 N ATOM 372 CA ARG A 25 -6.965 -2.531 -10.119 1.00 55.40 C ATOM 373 C ARG A 25 -5.500 -2.674 -9.705 1.00 24.22 C ATOM 374 O ARG A 25 -4.604 -2.208 -10.407 1.00 0.41 O ATOM 375 CB ARG A 25 -7.343 -3.690 -11.043 1.00 51.13 C ATOM 376 CG ARG A 25 -8.471 -4.528 -10.438 1.00 61.45 C ATOM 377 CD ARG A 25 -9.758 -4.386 -11.254 1.00 22.03 C ATOM 378 NE ARG A 25 -10.354 -5.719 -11.494 1.00 55.25 N ATOM 379 CZ ARG A 25 -11.670 -5.931 -11.710 1.00 71.33 C ATOM 380 NH1 ARG A 25 -12.539 -4.898 -11.717 1.00 61.11 N ATOM 381 NH2 ARG A 25 -12.094 -7.165 -11.914 1.00 51.43 N ATOM 0 H ARG A 25 -6.330 -0.750 -11.023 1.00 31.12 H new ATOM 0 HA ARG A 25 -7.601 -2.565 -9.234 1.00 55.40 H new ATOM 0 HB2 ARG A 25 -7.654 -3.300 -12.012 1.00 51.13 H new ATOM 0 HB3 ARG A 25 -6.471 -4.320 -11.218 1.00 51.13 H new ATOM 0 HG2 ARG A 25 -8.172 -5.576 -10.403 1.00 61.45 H new ATOM 0 HG3 ARG A 25 -8.651 -4.214 -9.410 1.00 61.45 H new ATOM 0 HD2 ARG A 25 -10.467 -3.752 -10.723 1.00 22.03 H new ATOM 0 HD3 ARG A 25 -9.544 -3.898 -12.205 1.00 22.03 H new ATOM 0 HE ARG A 25 -9.732 -6.528 -11.496 1.00 55.25 H new ATOM 0 HH11 ARG A 25 -12.203 -3.948 -11.558 1.00 61.11 H new ATOM 0 HH12 ARG A 25 -13.531 -5.067 -11.881 1.00 61.11 H new ATOM 0 HH21 ARG A 25 -11.431 -7.940 -11.907 1.00 51.43 H new ATOM 0 HH22 ARG A 25 -13.085 -7.343 -12.079 1.00 51.43 H new ATOM 394 N VAL A 26 -5.300 -3.322 -8.566 1.00 53.13 N ATOM 395 CA VAL A 26 -3.958 -3.533 -8.050 1.00 54.23 C ATOM 396 C VAL A 26 -3.312 -4.707 -8.788 1.00 44.42 C ATOM 397 O VAL A 26 -3.308 -5.831 -8.290 1.00 63.31 O ATOM 398 CB VAL A 26 -4.006 -3.733 -6.534 1.00 53.01 C ATOM 399 CG1 VAL A 26 -2.617 -3.566 -5.915 1.00 52.10 C ATOM 400 CG2 VAL A 26 -5.013 -2.780 -5.887 1.00 34.31 C ATOM 0 H VAL A 26 -6.045 -3.708 -7.986 1.00 53.13 H new ATOM 0 HA VAL A 26 -3.337 -2.655 -8.229 1.00 54.23 H new ATOM 0 HB VAL A 26 -4.338 -4.753 -6.341 1.00 53.01 H new ATOM 0 HG11 VAL A 26 -2.679 -3.713 -4.837 1.00 52.10 H new ATOM 0 HG12 VAL A 26 -1.937 -4.302 -6.343 1.00 52.10 H new ATOM 0 HG13 VAL A 26 -2.244 -2.563 -6.123 1.00 52.10 H new ATOM 0 HG21 VAL A 26 -5.028 -2.943 -4.809 1.00 34.31 H new ATOM 0 HG22 VAL A 26 -4.724 -1.750 -6.094 1.00 34.31 H new ATOM 0 HG23 VAL A 26 -6.006 -2.968 -6.296 1.00 34.31 H new ATOM 410 N VAL A 27 -2.780 -4.405 -9.964 1.00 13.33 N ATOM 411 CA VAL A 27 -2.132 -5.421 -10.775 1.00 50.23 C ATOM 412 C VAL A 27 -0.617 -5.215 -10.729 1.00 3.44 C ATOM 413 O VAL A 27 -0.144 -4.139 -10.363 1.00 20.50 O ATOM 414 CB VAL A 27 -2.696 -5.393 -12.197 1.00 44.14 C ATOM 415 CG1 VAL A 27 -4.224 -5.318 -12.180 1.00 44.22 C ATOM 416 CG2 VAL A 27 -2.099 -4.236 -13.001 1.00 43.11 C ATOM 0 H VAL A 27 -2.785 -3.471 -10.374 1.00 13.33 H new ATOM 0 HA VAL A 27 -2.337 -6.415 -10.377 1.00 50.23 H new ATOM 0 HB VAL A 27 -2.412 -6.324 -12.688 1.00 44.14 H new ATOM 0 HG11 VAL A 27 -4.599 -5.299 -13.203 1.00 44.22 H new ATOM 0 HG12 VAL A 27 -4.625 -6.189 -11.662 1.00 44.22 H new ATOM 0 HG13 VAL A 27 -4.538 -4.412 -11.662 1.00 44.22 H new ATOM 0 HG21 VAL A 27 -2.517 -4.239 -14.008 1.00 43.11 H new ATOM 0 HG22 VAL A 27 -2.338 -3.292 -12.512 1.00 43.11 H new ATOM 0 HG23 VAL A 27 -1.017 -4.352 -13.057 1.00 43.11 H new ATOM 426 N SER A 28 0.103 -6.262 -11.104 1.00 53.21 N ATOM 427 CA SER A 28 1.555 -6.209 -11.110 1.00 32.03 C ATOM 428 C SER A 28 2.091 -6.695 -12.458 1.00 11.50 C ATOM 429 O SER A 28 1.628 -7.704 -12.987 1.00 52.54 O ATOM 430 CB SER A 28 2.141 -7.048 -9.972 1.00 53.03 C ATOM 431 OG SER A 28 3.389 -6.533 -9.517 1.00 41.23 O ATOM 0 H SER A 28 -0.292 -7.152 -11.406 1.00 53.21 H new ATOM 0 HA SER A 28 1.860 -5.174 -10.957 1.00 32.03 H new ATOM 0 HB2 SER A 28 1.436 -7.075 -9.141 1.00 53.03 H new ATOM 0 HB3 SER A 28 2.275 -8.075 -10.311 1.00 53.03 H new ATOM 0 HG SER A 28 3.729 -7.095 -8.790 1.00 41.23 H new ATOM 437 N PRO A 29 3.085 -5.934 -12.989 1.00 4.43 N ATOM 438 CA PRO A 29 3.576 -4.754 -12.296 1.00 72.14 C ATOM 439 C PRO A 29 2.581 -3.597 -12.412 1.00 64.05 C ATOM 440 O PRO A 29 1.807 -3.533 -13.366 1.00 42.51 O ATOM 441 CB PRO A 29 4.919 -4.450 -12.940 1.00 72.00 C ATOM 442 CG PRO A 29 4.918 -5.183 -14.272 1.00 23.14 C ATOM 443 CD PRO A 29 3.767 -6.175 -14.257 1.00 72.21 C ATOM 0 HA PRO A 29 3.691 -4.913 -11.224 1.00 72.14 H new ATOM 0 HB2 PRO A 29 5.049 -3.377 -13.085 1.00 72.00 H new ATOM 0 HB3 PRO A 29 5.740 -4.788 -12.309 1.00 72.00 H new ATOM 0 HG2 PRO A 29 4.804 -4.478 -15.096 1.00 23.14 H new ATOM 0 HG3 PRO A 29 5.866 -5.700 -14.424 1.00 23.14 H new ATOM 0 HD2 PRO A 29 3.098 -6.017 -15.103 1.00 72.21 H new ATOM 0 HD3 PRO A 29 4.128 -7.201 -14.323 1.00 72.21 H new ATOM 451 N THR A 30 2.635 -2.712 -11.428 1.00 42.33 N ATOM 452 CA THR A 30 1.749 -1.560 -11.408 1.00 70.31 C ATOM 453 C THR A 30 2.114 -0.586 -12.530 1.00 24.41 C ATOM 454 O THR A 30 3.226 -0.060 -12.563 1.00 32.24 O ATOM 455 CB THR A 30 1.818 -0.935 -10.014 1.00 4.34 C ATOM 456 OG1 THR A 30 3.207 -0.950 -9.695 1.00 42.52 O ATOM 457 CG2 THR A 30 1.181 -1.821 -8.942 1.00 32.12 C ATOM 0 H THR A 30 3.278 -2.769 -10.639 1.00 42.33 H new ATOM 0 HA THR A 30 0.716 -1.852 -11.598 1.00 70.31 H new ATOM 0 HB THR A 30 1.320 0.034 -10.027 1.00 4.34 H new ATOM 0 HG1 THR A 30 3.718 -0.572 -10.441 1.00 42.52 H new ATOM 0 HG21 THR A 30 1.257 -1.330 -7.972 1.00 32.12 H new ATOM 0 HG22 THR A 30 0.131 -1.986 -9.183 1.00 32.12 H new ATOM 0 HG23 THR A 30 1.700 -2.779 -8.906 1.00 32.12 H new ATOM 465 N GLY A 31 1.158 -0.376 -13.422 1.00 50.22 N ATOM 466 CA GLY A 31 1.365 0.526 -14.543 1.00 22.32 C ATOM 467 C GLY A 31 0.806 1.917 -14.238 1.00 3.01 C ATOM 468 O GLY A 31 0.774 2.337 -13.082 1.00 53.23 O ATOM 0 H GLY A 31 0.238 -0.815 -13.392 1.00 50.22 H new ATOM 0 HA2 GLY A 31 2.430 0.599 -14.764 1.00 22.32 H new ATOM 0 HA3 GLY A 31 0.881 0.123 -15.433 1.00 22.32 H new ATOM 472 N ILE A 32 0.380 2.593 -15.295 1.00 5.34 N ATOM 473 CA ILE A 32 -0.175 3.928 -15.154 1.00 53.54 C ATOM 474 C ILE A 32 -1.082 3.972 -13.923 1.00 11.01 C ATOM 475 O ILE A 32 -1.791 3.009 -13.635 1.00 61.10 O ATOM 476 CB ILE A 32 -0.873 4.357 -16.447 1.00 63.01 C ATOM 477 CG1 ILE A 32 0.124 4.447 -17.604 1.00 44.41 C ATOM 478 CG2 ILE A 32 -1.640 5.666 -16.248 1.00 72.42 C ATOM 479 CD1 ILE A 32 -0.601 4.489 -18.951 1.00 4.53 C ATOM 0 H ILE A 32 0.408 2.241 -16.252 1.00 5.34 H new ATOM 0 HA ILE A 32 0.620 4.655 -14.991 1.00 53.54 H new ATOM 0 HB ILE A 32 -1.604 3.593 -16.710 1.00 63.01 H new ATOM 0 HG12 ILE A 32 0.739 5.340 -17.490 1.00 44.41 H new ATOM 0 HG13 ILE A 32 0.797 3.590 -17.576 1.00 44.41 H new ATOM 0 HG21 ILE A 32 -2.126 5.948 -17.182 1.00 72.42 H new ATOM 0 HG22 ILE A 32 -2.394 5.532 -15.472 1.00 72.42 H new ATOM 0 HG23 ILE A 32 -0.947 6.452 -15.948 1.00 72.42 H new ATOM 0 HD11 ILE A 32 0.131 4.553 -19.756 1.00 4.53 H new ATOM 0 HD12 ILE A 32 -1.196 3.584 -19.072 1.00 4.53 H new ATOM 0 HD13 ILE A 32 -1.255 5.360 -18.985 1.00 4.53 H new ATOM 491 N PRO A 33 -1.029 5.129 -13.211 1.00 2.35 N ATOM 492 CA PRO A 33 -1.837 5.311 -12.017 1.00 4.14 C ATOM 493 C PRO A 33 -3.302 5.561 -12.379 1.00 10.12 C ATOM 494 O PRO A 33 -3.597 6.152 -13.416 1.00 45.25 O ATOM 495 CB PRO A 33 -1.198 6.480 -11.284 1.00 32.32 C ATOM 496 CG PRO A 33 -0.347 7.203 -12.315 1.00 0.24 C ATOM 497 CD PRO A 33 -0.201 6.291 -13.522 1.00 11.14 C ATOM 0 HA PRO A 33 -1.857 4.424 -11.384 1.00 4.14 H new ATOM 0 HB2 PRO A 33 -1.957 7.143 -10.870 1.00 32.32 H new ATOM 0 HB3 PRO A 33 -0.589 6.132 -10.450 1.00 32.32 H new ATOM 0 HG2 PRO A 33 -0.814 8.145 -12.603 1.00 0.24 H new ATOM 0 HG3 PRO A 33 0.631 7.446 -11.900 1.00 0.24 H new ATOM 0 HD2 PRO A 33 -0.537 6.784 -14.434 1.00 11.14 H new ATOM 0 HD3 PRO A 33 0.839 6.005 -13.679 1.00 11.14 H new ATOM 505 N ALA A 34 -4.182 5.098 -11.503 1.00 40.50 N ATOM 506 CA ALA A 34 -5.610 5.265 -11.717 1.00 65.44 C ATOM 507 C ALA A 34 -5.946 6.757 -11.747 1.00 32.23 C ATOM 508 O ALA A 34 -7.027 7.144 -12.188 1.00 42.53 O ATOM 509 CB ALA A 34 -6.380 4.514 -10.629 1.00 51.23 C ATOM 0 H ALA A 34 -3.934 4.607 -10.644 1.00 40.50 H new ATOM 0 HA ALA A 34 -5.907 4.842 -12.677 1.00 65.44 H new ATOM 0 HB1 ALA A 34 -7.451 4.639 -10.789 1.00 51.23 H new ATOM 0 HB2 ALA A 34 -6.128 3.454 -10.671 1.00 51.23 H new ATOM 0 HB3 ALA A 34 -6.110 4.913 -9.651 1.00 51.23 H new ATOM 515 N GLU A 35 -5.001 7.554 -11.271 1.00 23.55 N ATOM 516 CA GLU A 35 -5.184 8.995 -11.237 1.00 25.45 C ATOM 517 C GLU A 35 -4.944 9.593 -12.624 1.00 60.01 C ATOM 518 O GLU A 35 -5.086 10.800 -12.817 1.00 23.53 O ATOM 519 CB GLU A 35 -4.266 9.639 -10.196 1.00 11.33 C ATOM 520 CG GLU A 35 -2.842 9.786 -10.736 1.00 30.24 C ATOM 521 CD GLU A 35 -1.821 9.790 -9.596 1.00 12.41 C ATOM 522 OE1 GLU A 35 -1.418 10.866 -9.130 1.00 5.14 O ATOM 523 OE2 GLU A 35 -1.448 8.623 -9.194 1.00 24.01 O ATOM 0 H GLU A 35 -4.106 7.229 -10.906 1.00 23.55 H new ATOM 0 HA GLU A 35 -6.213 9.205 -10.946 1.00 25.45 H new ATOM 0 HB2 GLU A 35 -4.656 10.618 -9.918 1.00 11.33 H new ATOM 0 HB3 GLU A 35 -4.255 9.032 -9.291 1.00 11.33 H new ATOM 0 HG2 GLU A 35 -2.623 8.968 -11.422 1.00 30.24 H new ATOM 0 HG3 GLU A 35 -2.759 10.711 -11.306 1.00 30.24 H new ATOM 531 N ASP A 36 -4.585 8.722 -13.555 1.00 61.43 N ATOM 532 CA ASP A 36 -4.324 9.149 -14.919 1.00 73.25 C ATOM 533 C ASP A 36 -5.426 8.613 -15.836 1.00 50.52 C ATOM 534 O ASP A 36 -5.414 8.866 -17.040 1.00 12.20 O ATOM 535 CB ASP A 36 -2.986 8.604 -15.421 1.00 64.21 C ATOM 536 CG ASP A 36 -1.749 9.280 -14.827 1.00 4.04 C ATOM 537 OD1 ASP A 36 -1.786 9.809 -13.706 1.00 33.44 O ATOM 538 OD2 ASP A 36 -0.698 9.250 -15.575 1.00 53.21 O ATOM 0 H ASP A 36 -4.469 7.722 -13.392 1.00 61.43 H new ATOM 0 HA ASP A 36 -4.297 10.239 -14.931 1.00 73.25 H new ATOM 0 HB2 ASP A 36 -2.940 7.537 -15.201 1.00 64.21 H new ATOM 0 HB3 ASP A 36 -2.953 8.707 -16.506 1.00 64.21 H new ATOM 544 N ILE A 37 -6.352 7.884 -15.232 1.00 20.33 N ATOM 545 CA ILE A 37 -7.459 7.310 -15.979 1.00 3.53 C ATOM 546 C ILE A 37 -8.160 8.415 -16.772 1.00 4.32 C ATOM 547 O ILE A 37 -8.416 8.261 -17.965 1.00 34.33 O ATOM 548 CB ILE A 37 -8.392 6.537 -15.045 1.00 1.22 C ATOM 549 CG1 ILE A 37 -7.978 5.067 -14.950 1.00 2.32 C ATOM 550 CG2 ILE A 37 -9.852 6.695 -15.475 1.00 22.20 C ATOM 551 CD1 ILE A 37 -9.059 4.237 -14.256 1.00 75.32 C ATOM 0 H ILE A 37 -6.359 7.677 -14.233 1.00 20.33 H new ATOM 0 HA ILE A 37 -7.094 6.581 -16.702 1.00 3.53 H new ATOM 0 HB ILE A 37 -8.303 6.962 -14.045 1.00 1.22 H new ATOM 0 HG12 ILE A 37 -7.796 4.671 -15.949 1.00 2.32 H new ATOM 0 HG13 ILE A 37 -7.041 4.984 -14.399 1.00 2.32 H new ATOM 0 HG21 ILE A 37 -10.494 6.136 -14.795 1.00 22.20 H new ATOM 0 HG22 ILE A 37 -10.127 7.749 -15.449 1.00 22.20 H new ATOM 0 HG23 ILE A 37 -9.976 6.312 -16.488 1.00 22.20 H new ATOM 0 HD11 ILE A 37 -8.740 3.196 -14.202 1.00 75.32 H new ATOM 0 HD12 ILE A 37 -9.221 4.620 -13.248 1.00 75.32 H new ATOM 0 HD13 ILE A 37 -9.988 4.302 -14.823 1.00 75.32 H new ATOM 563 N PRO A 38 -8.457 9.535 -16.059 1.00 23.43 N ATOM 564 CA PRO A 38 -9.123 10.665 -16.683 1.00 62.11 C ATOM 565 C PRO A 38 -8.156 11.447 -17.574 1.00 41.42 C ATOM 566 O PRO A 38 -8.567 12.356 -18.295 1.00 21.34 O ATOM 567 CB PRO A 38 -9.665 11.490 -15.527 1.00 61.32 C ATOM 568 CG PRO A 38 -8.889 11.045 -14.298 1.00 11.10 C ATOM 569 CD PRO A 38 -8.167 9.753 -14.644 1.00 55.04 C ATOM 0 HA PRO A 38 -9.929 10.362 -17.351 1.00 62.11 H new ATOM 0 HB2 PRO A 38 -9.529 12.556 -15.710 1.00 61.32 H new ATOM 0 HB3 PRO A 38 -10.734 11.323 -15.396 1.00 61.32 H new ATOM 0 HG2 PRO A 38 -8.175 11.813 -13.999 1.00 11.10 H new ATOM 0 HG3 PRO A 38 -9.564 10.891 -13.456 1.00 11.10 H new ATOM 0 HD2 PRO A 38 -7.095 9.839 -14.468 1.00 55.04 H new ATOM 0 HD3 PRO A 38 -8.525 8.924 -14.034 1.00 55.04 H new ATOM 577 N ARG A 39 -6.889 11.066 -17.496 1.00 54.21 N ATOM 578 CA ARG A 39 -5.861 11.721 -18.287 1.00 22.43 C ATOM 579 C ARG A 39 -5.570 10.912 -19.553 1.00 10.51 C ATOM 580 O ARG A 39 -5.012 11.438 -20.515 1.00 1.34 O ATOM 581 CB ARG A 39 -4.568 11.881 -17.484 1.00 71.12 C ATOM 582 CG ARG A 39 -4.725 12.948 -16.399 1.00 51.21 C ATOM 583 CD ARG A 39 -3.534 12.934 -15.439 1.00 62.51 C ATOM 584 NE ARG A 39 -2.390 13.655 -16.041 1.00 14.45 N ATOM 585 CZ ARG A 39 -1.507 13.097 -16.895 1.00 74.52 C ATOM 586 NH1 ARG A 39 -1.629 11.802 -17.257 1.00 34.43 N ATOM 587 NH2 ARG A 39 -0.523 13.835 -17.372 1.00 3.21 N ATOM 0 H ARG A 39 -6.551 10.312 -16.897 1.00 54.21 H new ATOM 0 HA ARG A 39 -6.231 12.709 -18.560 1.00 22.43 H new ATOM 0 HB2 ARG A 39 -4.300 10.929 -17.026 1.00 71.12 H new ATOM 0 HB3 ARG A 39 -3.752 12.155 -18.153 1.00 71.12 H new ATOM 0 HG2 ARG A 39 -4.812 13.931 -16.861 1.00 51.21 H new ATOM 0 HG3 ARG A 39 -5.646 12.774 -15.843 1.00 51.21 H new ATOM 0 HD2 ARG A 39 -3.812 13.401 -14.494 1.00 62.51 H new ATOM 0 HD3 ARG A 39 -3.249 11.906 -15.215 1.00 62.51 H new ATOM 0 HE ARG A 39 -2.261 14.636 -15.794 1.00 14.45 H new ATOM 0 HH11 ARG A 39 -2.393 11.238 -16.884 1.00 34.43 H new ATOM 0 HH12 ARG A 39 -0.957 11.388 -17.903 1.00 34.43 H new ATOM 0 HH21 ARG A 39 -0.438 14.813 -17.094 1.00 3.21 H new ATOM 0 HH22 ARG A 39 0.153 13.428 -18.019 1.00 3.21 H new ATOM 600 N LEU A 40 -5.962 9.647 -19.512 1.00 5.40 N ATOM 601 CA LEU A 40 -5.750 8.761 -20.644 1.00 41.52 C ATOM 602 C LEU A 40 -6.903 8.925 -21.637 1.00 22.04 C ATOM 603 O LEU A 40 -6.748 8.648 -22.825 1.00 23.51 O ATOM 604 CB LEU A 40 -5.548 7.322 -20.168 1.00 32.35 C ATOM 605 CG LEU A 40 -4.335 7.077 -19.267 1.00 75.23 C ATOM 606 CD1 LEU A 40 -4.556 5.857 -18.370 1.00 40.32 C ATOM 607 CD2 LEU A 40 -3.054 6.956 -20.095 1.00 31.44 C ATOM 0 H LEU A 40 -6.425 9.215 -18.713 1.00 5.40 H new ATOM 0 HA LEU A 40 -4.834 9.029 -21.171 1.00 41.52 H new ATOM 0 HB2 LEU A 40 -6.443 7.009 -19.631 1.00 32.35 H new ATOM 0 HB3 LEU A 40 -5.461 6.679 -21.044 1.00 32.35 H new ATOM 0 HG LEU A 40 -4.215 7.940 -18.612 1.00 75.23 H new ATOM 0 HD11 LEU A 40 -3.680 5.705 -17.740 1.00 40.32 H new ATOM 0 HD12 LEU A 40 -5.431 6.022 -17.741 1.00 40.32 H new ATOM 0 HD13 LEU A 40 -4.715 4.974 -18.989 1.00 40.32 H new ATOM 0 HD21 LEU A 40 -2.207 6.782 -19.431 1.00 31.44 H new ATOM 0 HD22 LEU A 40 -3.148 6.122 -20.790 1.00 31.44 H new ATOM 0 HD23 LEU A 40 -2.894 7.878 -20.654 1.00 31.44 H new ATOM 619 N ILE A 41 -8.033 9.375 -21.112 1.00 73.24 N ATOM 620 CA ILE A 41 -9.212 9.579 -21.937 1.00 61.55 C ATOM 621 C ILE A 41 -8.860 10.507 -23.102 1.00 22.23 C ATOM 622 O ILE A 41 -8.185 11.517 -22.912 1.00 42.42 O ATOM 623 CB ILE A 41 -10.382 10.076 -21.087 1.00 32.04 C ATOM 624 CG1 ILE A 41 -10.610 9.163 -19.880 1.00 3.00 C ATOM 625 CG2 ILE A 41 -11.647 10.234 -21.933 1.00 31.33 C ATOM 626 CD1 ILE A 41 -12.048 9.275 -19.372 1.00 35.34 C ATOM 0 H ILE A 41 -8.157 9.604 -20.126 1.00 73.24 H new ATOM 0 HA ILE A 41 -9.542 8.634 -22.370 1.00 61.55 H new ATOM 0 HB ILE A 41 -10.128 11.063 -20.701 1.00 32.04 H new ATOM 0 HG12 ILE A 41 -10.397 8.130 -20.156 1.00 3.00 H new ATOM 0 HG13 ILE A 41 -9.917 9.429 -19.082 1.00 3.00 H new ATOM 0 HG21 ILE A 41 -12.463 10.589 -21.304 1.00 31.33 H new ATOM 0 HG22 ILE A 41 -11.464 10.954 -22.730 1.00 31.33 H new ATOM 0 HG23 ILE A 41 -11.916 9.272 -22.368 1.00 31.33 H new ATOM 0 HD11 ILE A 41 -12.183 8.616 -18.514 1.00 35.34 H new ATOM 0 HD12 ILE A 41 -12.250 10.304 -19.075 1.00 35.34 H new ATOM 0 HD13 ILE A 41 -12.738 8.985 -20.165 1.00 35.34 H new ATOM 638 N SER A 42 -9.333 10.131 -24.281 1.00 31.54 N ATOM 639 CA SER A 42 -9.077 10.917 -25.475 1.00 63.44 C ATOM 640 C SER A 42 -7.722 10.533 -26.073 1.00 45.23 C ATOM 641 O SER A 42 -7.400 10.926 -27.194 1.00 21.42 O ATOM 642 CB SER A 42 -9.116 12.415 -25.168 1.00 75.20 C ATOM 643 OG SER A 42 -9.545 13.179 -26.292 1.00 11.22 O ATOM 0 H SER A 42 -9.892 9.292 -24.435 1.00 31.54 H new ATOM 0 HA SER A 42 -9.862 10.702 -26.200 1.00 63.44 H new ATOM 0 HB2 SER A 42 -9.788 12.596 -24.329 1.00 75.20 H new ATOM 0 HB3 SER A 42 -8.125 12.748 -24.860 1.00 75.20 H new ATOM 0 HG SER A 42 -9.558 14.130 -26.055 1.00 11.22 H new ATOM 649 N MET A 43 -6.963 9.771 -25.299 1.00 14.12 N ATOM 650 CA MET A 43 -5.650 9.330 -25.738 1.00 13.23 C ATOM 651 C MET A 43 -5.703 7.897 -26.270 1.00 63.23 C ATOM 652 O MET A 43 -6.225 7.003 -25.606 1.00 63.21 O ATOM 653 CB MET A 43 -4.669 9.404 -24.566 1.00 41.23 C ATOM 654 CG MET A 43 -4.870 10.691 -23.763 1.00 32.43 C ATOM 655 SD MET A 43 -3.314 11.232 -23.077 1.00 43.12 S ATOM 656 CE MET A 43 -2.590 9.653 -22.666 1.00 10.11 C ATOM 0 H MET A 43 -7.233 9.448 -24.370 1.00 14.12 H new ATOM 0 HA MET A 43 -5.318 9.984 -26.544 1.00 13.23 H new ATOM 0 HB2 MET A 43 -4.808 8.540 -23.916 1.00 41.23 H new ATOM 0 HB3 MET A 43 -3.646 9.360 -24.940 1.00 41.23 H new ATOM 0 HG2 MET A 43 -5.284 11.469 -24.405 1.00 32.43 H new ATOM 0 HG3 MET A 43 -5.590 10.521 -22.963 1.00 32.43 H new ATOM 0 HE1 MET A 43 -2.047 9.736 -21.725 1.00 10.11 H new ATOM 0 HE2 MET A 43 -3.378 8.906 -22.566 1.00 10.11 H new ATOM 0 HE3 MET A 43 -1.902 9.351 -23.456 1.00 10.11 H new ATOM 666 N GLN A 44 -5.155 7.723 -27.464 1.00 23.41 N ATOM 667 CA GLN A 44 -5.133 6.413 -28.093 1.00 45.13 C ATOM 668 C GLN A 44 -3.858 5.660 -27.707 1.00 32.14 C ATOM 669 O GLN A 44 -2.810 6.270 -27.502 1.00 11.22 O ATOM 670 CB GLN A 44 -5.259 6.533 -29.613 1.00 45.23 C ATOM 671 CG GLN A 44 -6.341 7.545 -29.996 1.00 20.34 C ATOM 672 CD GLN A 44 -6.198 7.975 -31.457 1.00 4.22 C ATOM 673 OE1 GLN A 44 -5.564 8.967 -31.779 1.00 72.35 O ATOM 674 NE2 GLN A 44 -6.819 7.177 -32.320 1.00 34.54 N ATOM 0 H GLN A 44 -4.723 8.467 -28.012 1.00 23.41 H new ATOM 0 HA GLN A 44 -5.991 5.844 -27.733 1.00 45.13 H new ATOM 0 HB2 GLN A 44 -4.303 6.839 -30.038 1.00 45.23 H new ATOM 0 HB3 GLN A 44 -5.500 5.559 -30.039 1.00 45.23 H new ATOM 0 HG2 GLN A 44 -7.326 7.107 -29.837 1.00 20.34 H new ATOM 0 HG3 GLN A 44 -6.272 8.419 -29.348 1.00 20.34 H new ATOM 0 HE21 GLN A 44 -7.332 6.363 -31.983 1.00 34.54 H new ATOM 0 HE22 GLN A 44 -6.782 7.379 -33.319 1.00 34.54 H new ATOM 683 N VAL A 45 -3.990 4.345 -27.618 1.00 71.53 N ATOM 684 CA VAL A 45 -2.862 3.502 -27.260 1.00 32.42 C ATOM 685 C VAL A 45 -1.945 3.341 -28.474 1.00 2.13 C ATOM 686 O VAL A 45 -2.395 3.439 -29.614 1.00 54.40 O ATOM 687 CB VAL A 45 -3.362 2.165 -26.708 1.00 13.25 C ATOM 688 CG1 VAL A 45 -3.909 2.329 -25.288 1.00 72.21 C ATOM 689 CG2 VAL A 45 -4.413 1.549 -27.633 1.00 34.44 C ATOM 0 H VAL A 45 -4.861 3.842 -27.788 1.00 71.53 H new ATOM 0 HA VAL A 45 -2.275 3.967 -26.468 1.00 32.42 H new ATOM 0 HB VAL A 45 -2.514 1.482 -26.664 1.00 13.25 H new ATOM 0 HG11 VAL A 45 -4.258 1.365 -24.919 1.00 72.21 H new ATOM 0 HG12 VAL A 45 -3.120 2.704 -24.635 1.00 72.21 H new ATOM 0 HG13 VAL A 45 -4.739 3.036 -25.297 1.00 72.21 H new ATOM 0 HG21 VAL A 45 -4.752 0.600 -27.218 1.00 34.44 H new ATOM 0 HG22 VAL A 45 -5.261 2.228 -27.724 1.00 34.44 H new ATOM 0 HG23 VAL A 45 -3.977 1.379 -28.617 1.00 34.44 H new ATOM 699 N ASN A 46 -0.675 3.097 -28.187 1.00 64.12 N ATOM 700 CA ASN A 46 0.310 2.922 -29.241 1.00 61.23 C ATOM 701 C ASN A 46 0.634 1.434 -29.388 1.00 65.23 C ATOM 702 O ASN A 46 1.751 1.072 -29.756 1.00 20.42 O ATOM 703 CB ASN A 46 1.609 3.658 -28.909 1.00 43.32 C ATOM 704 CG ASN A 46 2.201 3.158 -27.590 1.00 2.31 C ATOM 705 OD1 ASN A 46 2.588 2.010 -27.449 1.00 32.32 O ATOM 706 ND2 ASN A 46 2.250 4.082 -26.634 1.00 43.14 N ATOM 0 H ASN A 46 -0.305 3.016 -27.240 1.00 64.12 H new ATOM 0 HA ASN A 46 -0.108 3.326 -30.163 1.00 61.23 H new ATOM 0 HB2 ASN A 46 2.330 3.512 -29.714 1.00 43.32 H new ATOM 0 HB3 ASN A 46 1.418 4.729 -28.843 1.00 43.32 H new ATOM 0 HD21 ASN A 46 2.629 3.847 -25.717 1.00 43.14 H new ATOM 0 HD22 ASN A 46 1.909 5.025 -26.819 1.00 43.14 H new ATOM 713 N GLN A 47 -0.362 0.612 -29.094 1.00 21.25 N ATOM 714 CA GLN A 47 -0.197 -0.829 -29.188 1.00 44.32 C ATOM 715 C GLN A 47 -1.503 -1.538 -28.828 1.00 15.25 C ATOM 716 O GLN A 47 -2.369 -0.958 -28.173 1.00 44.54 O ATOM 717 CB GLN A 47 0.951 -1.309 -28.298 1.00 4.41 C ATOM 718 CG GLN A 47 0.858 -2.815 -28.047 1.00 12.01 C ATOM 719 CD GLN A 47 2.015 -3.298 -27.171 1.00 4.34 C ATOM 720 OE1 GLN A 47 2.715 -4.246 -27.488 1.00 12.20 O ATOM 721 NE2 GLN A 47 2.178 -2.595 -26.053 1.00 50.45 N ATOM 0 H GLN A 47 -1.287 0.916 -28.790 1.00 21.25 H new ATOM 0 HA GLN A 47 0.057 -1.079 -30.218 1.00 44.32 H new ATOM 0 HB2 GLN A 47 1.905 -1.074 -28.770 1.00 4.41 H new ATOM 0 HB3 GLN A 47 0.926 -0.776 -27.347 1.00 4.41 H new ATOM 0 HG2 GLN A 47 -0.091 -3.049 -27.564 1.00 12.01 H new ATOM 0 HG3 GLN A 47 0.871 -3.347 -28.998 1.00 12.01 H new ATOM 0 HE21 GLN A 47 1.557 -1.812 -25.847 1.00 50.45 H new ATOM 0 HE22 GLN A 47 2.924 -2.839 -25.402 1.00 50.45 H new ATOM 730 N VAL A 48 -1.606 -2.783 -29.270 1.00 2.52 N ATOM 731 CA VAL A 48 -2.793 -3.577 -29.002 1.00 4.13 C ATOM 732 C VAL A 48 -2.742 -4.091 -27.561 1.00 55.44 C ATOM 733 O VAL A 48 -1.953 -4.978 -27.242 1.00 44.12 O ATOM 734 CB VAL A 48 -2.914 -4.700 -30.033 1.00 74.33 C ATOM 735 CG1 VAL A 48 -3.694 -5.887 -29.462 1.00 44.34 C ATOM 736 CG2 VAL A 48 -3.558 -4.191 -31.325 1.00 33.45 C ATOM 0 H VAL A 48 -0.887 -3.261 -29.812 1.00 2.52 H new ATOM 0 HA VAL A 48 -3.691 -2.967 -29.098 1.00 4.13 H new ATOM 0 HB VAL A 48 -1.908 -5.044 -30.273 1.00 74.33 H new ATOM 0 HG11 VAL A 48 -3.766 -6.672 -30.215 1.00 44.34 H new ATOM 0 HG12 VAL A 48 -3.177 -6.273 -28.584 1.00 44.34 H new ATOM 0 HG13 VAL A 48 -4.696 -5.562 -29.180 1.00 44.34 H new ATOM 0 HG21 VAL A 48 -3.632 -5.009 -32.041 1.00 33.45 H new ATOM 0 HG22 VAL A 48 -4.555 -3.807 -31.108 1.00 33.45 H new ATOM 0 HG23 VAL A 48 -2.946 -3.394 -31.747 1.00 33.45 H new ATOM 746 N VAL A 49 -3.596 -3.511 -26.730 1.00 41.02 N ATOM 747 CA VAL A 49 -3.659 -3.899 -25.331 1.00 61.13 C ATOM 748 C VAL A 49 -4.980 -4.624 -25.067 1.00 12.34 C ATOM 749 O VAL A 49 -6.053 -4.038 -25.208 1.00 24.13 O ATOM 750 CB VAL A 49 -3.460 -2.673 -24.438 1.00 54.45 C ATOM 751 CG1 VAL A 49 -3.786 -1.384 -25.196 1.00 73.25 C ATOM 752 CG2 VAL A 49 -4.295 -2.783 -23.161 1.00 71.51 C ATOM 0 H VAL A 49 -4.250 -2.776 -26.999 1.00 41.02 H new ATOM 0 HA VAL A 49 -2.854 -4.593 -25.090 1.00 61.13 H new ATOM 0 HB VAL A 49 -2.410 -2.636 -24.149 1.00 54.45 H new ATOM 0 HG11 VAL A 49 -3.636 -0.528 -24.539 1.00 73.25 H new ATOM 0 HG12 VAL A 49 -3.130 -1.295 -26.062 1.00 73.25 H new ATOM 0 HG13 VAL A 49 -4.824 -1.410 -25.528 1.00 73.25 H new ATOM 0 HG21 VAL A 49 -4.135 -1.899 -22.544 1.00 71.51 H new ATOM 0 HG22 VAL A 49 -5.351 -2.857 -23.422 1.00 71.51 H new ATOM 0 HG23 VAL A 49 -3.995 -3.672 -22.606 1.00 71.51 H new ATOM 762 N PRO A 50 -4.856 -5.921 -24.677 1.00 54.14 N ATOM 763 CA PRO A 50 -6.028 -6.732 -24.392 1.00 2.43 C ATOM 764 C PRO A 50 -6.643 -6.350 -23.044 1.00 14.10 C ATOM 765 O PRO A 50 -6.015 -5.659 -22.244 1.00 24.34 O ATOM 766 CB PRO A 50 -5.532 -8.168 -24.433 1.00 2.23 C ATOM 767 CG PRO A 50 -4.022 -8.092 -24.279 1.00 5.24 C ATOM 768 CD PRO A 50 -3.603 -6.648 -24.500 1.00 4.53 C ATOM 0 HA PRO A 50 -6.830 -6.581 -25.114 1.00 2.43 H new ATOM 0 HB2 PRO A 50 -5.977 -8.758 -23.632 1.00 2.23 H new ATOM 0 HB3 PRO A 50 -5.805 -8.649 -25.372 1.00 2.23 H new ATOM 0 HG2 PRO A 50 -3.722 -8.429 -23.287 1.00 5.24 H new ATOM 0 HG3 PRO A 50 -3.531 -8.746 -25.000 1.00 5.24 H new ATOM 0 HD2 PRO A 50 -3.040 -6.265 -23.649 1.00 4.53 H new ATOM 0 HD3 PRO A 50 -2.962 -6.551 -25.376 1.00 4.53 H new ATOM 776 N MET A 51 -7.866 -6.816 -22.835 1.00 22.24 N ATOM 777 CA MET A 51 -8.573 -6.532 -21.598 1.00 33.54 C ATOM 778 C MET A 51 -7.881 -7.196 -20.405 1.00 41.23 C ATOM 779 O MET A 51 -7.671 -8.408 -20.400 1.00 52.23 O ATOM 780 CB MET A 51 -10.011 -7.045 -21.703 1.00 12.52 C ATOM 781 CG MET A 51 -10.766 -6.834 -20.388 1.00 64.24 C ATOM 782 SD MET A 51 -11.964 -8.137 -20.157 1.00 2.21 S ATOM 783 CE MET A 51 -12.905 -7.964 -21.664 1.00 3.11 C ATOM 0 H MET A 51 -8.385 -7.388 -23.501 1.00 22.24 H new ATOM 0 HA MET A 51 -8.572 -5.453 -21.441 1.00 33.54 H new ATOM 0 HB2 MET A 51 -10.528 -6.526 -22.510 1.00 12.52 H new ATOM 0 HB3 MET A 51 -10.005 -8.105 -21.957 1.00 12.52 H new ATOM 0 HG2 MET A 51 -10.064 -6.822 -19.554 1.00 64.24 H new ATOM 0 HG3 MET A 51 -11.267 -5.866 -20.398 1.00 64.24 H new ATOM 0 HE1 MET A 51 -13.656 -8.752 -21.717 1.00 3.11 H new ATOM 0 HE2 MET A 51 -13.398 -6.992 -21.676 1.00 3.11 H new ATOM 0 HE3 MET A 51 -12.236 -8.042 -22.521 1.00 3.11 H new ATOM 793 N GLY A 52 -7.545 -6.372 -19.424 1.00 31.05 N ATOM 794 CA GLY A 52 -6.881 -6.864 -18.228 1.00 44.44 C ATOM 795 C GLY A 52 -5.392 -6.512 -18.245 1.00 64.30 C ATOM 796 O GLY A 52 -4.718 -6.602 -17.220 1.00 44.30 O ATOM 0 H GLY A 52 -7.720 -5.367 -19.432 1.00 31.05 H new ATOM 0 HA2 GLY A 52 -7.350 -6.433 -17.344 1.00 44.44 H new ATOM 0 HA3 GLY A 52 -7.002 -7.945 -18.159 1.00 44.44 H new ATOM 800 N THR A 53 -4.922 -6.120 -19.420 1.00 61.12 N ATOM 801 CA THR A 53 -3.525 -5.755 -19.584 1.00 10.12 C ATOM 802 C THR A 53 -3.264 -4.368 -18.994 1.00 2.23 C ATOM 803 O THR A 53 -3.791 -3.371 -19.485 1.00 42.10 O ATOM 804 CB THR A 53 -3.181 -5.857 -21.071 1.00 23.30 C ATOM 805 OG1 THR A 53 -3.107 -7.259 -21.315 1.00 22.34 O ATOM 806 CG2 THR A 53 -1.771 -5.350 -21.382 1.00 20.31 C ATOM 0 H THR A 53 -5.484 -6.047 -20.268 1.00 61.12 H new ATOM 0 HA THR A 53 -2.872 -6.435 -19.037 1.00 10.12 H new ATOM 0 HB THR A 53 -3.908 -5.288 -21.651 1.00 23.30 H new ATOM 0 HG1 THR A 53 -2.358 -7.447 -21.918 1.00 22.34 H new ATOM 0 HG21 THR A 53 -1.578 -5.445 -22.451 1.00 20.31 H new ATOM 0 HG22 THR A 53 -1.688 -4.303 -21.090 1.00 20.31 H new ATOM 0 HG23 THR A 53 -1.042 -5.941 -20.828 1.00 20.31 H new ATOM 814 N THR A 54 -2.450 -4.348 -17.948 1.00 74.31 N ATOM 815 CA THR A 54 -2.113 -3.100 -17.286 1.00 2.13 C ATOM 816 C THR A 54 -1.672 -2.054 -18.312 1.00 21.14 C ATOM 817 O THR A 54 -0.886 -2.353 -19.210 1.00 15.12 O ATOM 818 CB THR A 54 -1.049 -3.399 -16.227 1.00 52.12 C ATOM 819 OG1 THR A 54 -1.482 -4.621 -15.636 1.00 23.10 O ATOM 820 CG2 THR A 54 -1.075 -2.396 -15.072 1.00 20.43 C ATOM 0 H THR A 54 -2.014 -5.177 -17.543 1.00 74.31 H new ATOM 0 HA THR A 54 -2.981 -2.672 -16.784 1.00 2.13 H new ATOM 0 HB THR A 54 -0.063 -3.392 -16.691 1.00 52.12 H new ATOM 0 HG1 THR A 54 -0.726 -5.053 -15.186 1.00 23.10 H new ATOM 0 HG21 THR A 54 -0.301 -2.653 -14.349 1.00 20.43 H new ATOM 0 HG22 THR A 54 -0.893 -1.393 -15.457 1.00 20.43 H new ATOM 0 HG23 THR A 54 -2.050 -2.426 -14.586 1.00 20.43 H new ATOM 828 N LEU A 55 -2.197 -0.849 -18.144 1.00 23.23 N ATOM 829 CA LEU A 55 -1.867 0.243 -19.044 1.00 32.30 C ATOM 830 C LEU A 55 -0.519 0.843 -18.639 1.00 15.02 C ATOM 831 O LEU A 55 -0.298 1.145 -17.467 1.00 44.33 O ATOM 832 CB LEU A 55 -3.006 1.263 -19.088 1.00 75.03 C ATOM 833 CG LEU A 55 -3.114 2.093 -20.369 1.00 73.23 C ATOM 834 CD1 LEU A 55 -2.950 1.211 -21.609 1.00 15.31 C ATOM 835 CD2 LEU A 55 -4.421 2.887 -20.400 1.00 15.24 C ATOM 0 H LEU A 55 -2.848 -0.605 -17.398 1.00 23.23 H new ATOM 0 HA LEU A 55 -1.759 -0.124 -20.065 1.00 32.30 H new ATOM 0 HB2 LEU A 55 -3.947 0.733 -18.941 1.00 75.03 H new ATOM 0 HB3 LEU A 55 -2.889 1.945 -18.246 1.00 75.03 H new ATOM 0 HG LEU A 55 -2.298 2.816 -20.377 1.00 73.23 H new ATOM 0 HD11 LEU A 55 -3.031 1.825 -22.506 1.00 15.31 H new ATOM 0 HD12 LEU A 55 -1.972 0.729 -21.586 1.00 15.31 H new ATOM 0 HD13 LEU A 55 -3.730 0.449 -21.619 1.00 15.31 H new ATOM 0 HD21 LEU A 55 -4.472 3.468 -21.321 1.00 15.24 H new ATOM 0 HD22 LEU A 55 -5.266 2.199 -20.357 1.00 15.24 H new ATOM 0 HD23 LEU A 55 -4.458 3.560 -19.544 1.00 15.24 H new ATOM 847 N MET A 56 0.345 0.998 -19.630 1.00 64.24 N ATOM 848 CA MET A 56 1.665 1.557 -19.392 1.00 23.41 C ATOM 849 C MET A 56 1.760 2.987 -19.926 1.00 51.21 C ATOM 850 O MET A 56 0.943 3.403 -20.746 1.00 71.33 O ATOM 851 CB MET A 56 2.720 0.685 -20.076 1.00 41.15 C ATOM 852 CG MET A 56 3.045 -0.548 -19.231 1.00 71.32 C ATOM 853 SD MET A 56 4.339 -0.165 -18.064 1.00 3.54 S ATOM 854 CE MET A 56 3.527 -0.617 -16.540 1.00 73.42 C ATOM 0 H MET A 56 0.157 0.746 -20.600 1.00 64.24 H new ATOM 0 HA MET A 56 1.841 1.579 -18.316 1.00 23.41 H new ATOM 0 HB2 MET A 56 2.359 0.373 -21.056 1.00 41.15 H new ATOM 0 HB3 MET A 56 3.627 1.267 -20.240 1.00 41.15 H new ATOM 0 HG2 MET A 56 2.153 -0.881 -18.701 1.00 71.32 H new ATOM 0 HG3 MET A 56 3.357 -1.369 -19.876 1.00 71.32 H new ATOM 0 HE1 MET A 56 3.919 -0.009 -15.725 1.00 73.42 H new ATOM 0 HE2 MET A 56 2.454 -0.448 -16.635 1.00 73.42 H new ATOM 0 HE3 MET A 56 3.711 -1.670 -16.328 1.00 73.42 H new ATOM 864 N PRO A 57 2.790 3.720 -19.426 1.00 45.53 N ATOM 865 CA PRO A 57 3.002 5.096 -19.845 1.00 24.35 C ATOM 866 C PRO A 57 3.598 5.155 -21.253 1.00 14.12 C ATOM 867 O PRO A 57 3.450 6.157 -21.951 1.00 44.00 O ATOM 868 CB PRO A 57 3.917 5.692 -18.787 1.00 65.23 C ATOM 869 CG PRO A 57 4.556 4.511 -18.075 1.00 23.30 C ATOM 870 CD PRO A 57 3.778 3.261 -18.454 1.00 13.45 C ATOM 0 HA PRO A 57 2.073 5.663 -19.915 1.00 24.35 H new ATOM 0 HB2 PRO A 57 4.675 6.331 -19.241 1.00 65.23 H new ATOM 0 HB3 PRO A 57 3.355 6.311 -18.088 1.00 65.23 H new ATOM 0 HG2 PRO A 57 5.602 4.412 -18.364 1.00 23.30 H new ATOM 0 HG3 PRO A 57 4.536 4.660 -16.995 1.00 23.30 H new ATOM 0 HD2 PRO A 57 4.432 2.502 -18.883 1.00 13.45 H new ATOM 0 HD3 PRO A 57 3.299 2.814 -17.583 1.00 13.45 H new ATOM 878 N ASP A 58 4.257 4.069 -21.628 1.00 41.12 N ATOM 879 CA ASP A 58 4.875 3.985 -22.941 1.00 31.03 C ATOM 880 C ASP A 58 3.940 3.236 -23.893 1.00 10.33 C ATOM 881 O ASP A 58 4.317 2.925 -25.021 1.00 60.42 O ATOM 882 CB ASP A 58 6.198 3.219 -22.878 1.00 41.55 C ATOM 883 CG ASP A 58 6.840 2.926 -24.236 1.00 1.40 C ATOM 884 OD1 ASP A 58 6.613 3.648 -25.219 1.00 21.52 O ATOM 885 OD2 ASP A 58 7.613 1.894 -24.262 1.00 3.01 O ATOM 0 H ASP A 58 4.377 3.240 -21.046 1.00 41.12 H new ATOM 0 HA ASP A 58 5.062 5.000 -23.292 1.00 31.03 H new ATOM 0 HB2 ASP A 58 6.903 3.791 -22.275 1.00 41.55 H new ATOM 0 HB3 ASP A 58 6.029 2.274 -22.361 1.00 41.55 H new ATOM 891 N MET A 59 2.738 2.969 -23.403 1.00 3.55 N ATOM 892 CA MET A 59 1.747 2.263 -24.196 1.00 15.34 C ATOM 893 C MET A 59 0.579 3.183 -24.559 1.00 42.14 C ATOM 894 O MET A 59 -0.507 2.712 -24.891 1.00 72.54 O ATOM 895 CB MET A 59 1.223 1.062 -23.406 1.00 60.45 C ATOM 896 CG MET A 59 2.130 -0.156 -23.596 1.00 70.01 C ATOM 897 SD MET A 59 1.196 -1.657 -23.349 1.00 62.14 S ATOM 898 CE MET A 59 0.216 -1.184 -21.934 1.00 45.34 C ATOM 0 H MET A 59 2.428 3.229 -22.467 1.00 3.55 H new ATOM 0 HA MET A 59 2.220 1.925 -25.118 1.00 15.34 H new ATOM 0 HB2 MET A 59 1.165 1.315 -22.347 1.00 60.45 H new ATOM 0 HB3 MET A 59 0.211 0.821 -23.732 1.00 60.45 H new ATOM 0 HG2 MET A 59 2.561 -0.146 -24.597 1.00 70.01 H new ATOM 0 HG3 MET A 59 2.961 -0.115 -22.891 1.00 70.01 H new ATOM 0 HE1 MET A 59 -0.551 -1.938 -21.754 1.00 45.34 H new ATOM 0 HE2 MET A 59 0.858 -1.103 -21.057 1.00 45.34 H new ATOM 0 HE3 MET A 59 -0.259 -0.222 -22.126 1.00 45.34 H new ATOM 908 N VAL A 60 0.843 4.479 -24.485 1.00 3.34 N ATOM 909 CA VAL A 60 -0.172 5.469 -24.802 1.00 3.41 C ATOM 910 C VAL A 60 0.483 6.653 -25.517 1.00 54.03 C ATOM 911 O VAL A 60 1.562 7.098 -25.130 1.00 30.44 O ATOM 912 CB VAL A 60 -0.919 5.878 -23.531 1.00 55.12 C ATOM 913 CG1 VAL A 60 -2.123 6.762 -23.864 1.00 34.33 C ATOM 914 CG2 VAL A 60 -1.347 4.649 -22.727 1.00 61.52 C ATOM 0 H VAL A 60 1.746 4.867 -24.210 1.00 3.34 H new ATOM 0 HA VAL A 60 -0.916 5.050 -25.480 1.00 3.41 H new ATOM 0 HB VAL A 60 -0.236 6.461 -22.913 1.00 55.12 H new ATOM 0 HG11 VAL A 60 -2.637 7.039 -22.943 1.00 34.33 H new ATOM 0 HG12 VAL A 60 -1.783 7.663 -24.375 1.00 34.33 H new ATOM 0 HG13 VAL A 60 -2.808 6.215 -24.511 1.00 34.33 H new ATOM 0 HG21 VAL A 60 -1.876 4.968 -21.829 1.00 61.52 H new ATOM 0 HG22 VAL A 60 -2.005 4.028 -23.334 1.00 61.52 H new ATOM 0 HG23 VAL A 60 -0.465 4.074 -22.444 1.00 61.52 H new ATOM 924 N LYS A 61 -0.198 7.130 -26.549 1.00 73.41 N ATOM 925 CA LYS A 61 0.303 8.253 -27.322 1.00 43.02 C ATOM 926 C LYS A 61 -0.142 9.560 -26.663 1.00 32.22 C ATOM 927 O LYS A 61 -1.185 9.607 -26.013 1.00 13.12 O ATOM 928 CB LYS A 61 -0.121 8.127 -28.787 1.00 1.41 C ATOM 929 CG LYS A 61 0.431 6.843 -29.409 1.00 53.23 C ATOM 930 CD LYS A 61 0.333 6.887 -30.936 1.00 14.45 C ATOM 931 CE LYS A 61 0.269 5.476 -31.522 1.00 35.20 C ATOM 932 NZ LYS A 61 0.397 5.520 -32.996 1.00 5.53 N ATOM 0 H LYS A 61 -1.093 6.759 -26.868 1.00 73.41 H new ATOM 0 HA LYS A 61 1.393 8.254 -27.329 1.00 43.02 H new ATOM 0 HB2 LYS A 61 -1.209 8.130 -28.856 1.00 1.41 H new ATOM 0 HB3 LYS A 61 0.237 8.990 -29.348 1.00 1.41 H new ATOM 0 HG2 LYS A 61 1.471 6.708 -29.112 1.00 53.23 H new ATOM 0 HG3 LYS A 61 -0.123 5.984 -29.030 1.00 53.23 H new ATOM 0 HD2 LYS A 61 -0.554 7.448 -31.231 1.00 14.45 H new ATOM 0 HD3 LYS A 61 1.195 7.415 -31.344 1.00 14.45 H new ATOM 0 HE2 LYS A 61 1.066 4.864 -31.100 1.00 35.20 H new ATOM 0 HE3 LYS A 61 -0.674 5.004 -31.247 1.00 35.20 H new ATOM 0 HZ1 LYS A 61 0.938 4.694 -33.322 1.00 5.53 H new ATOM 0 HZ2 LYS A 61 -0.549 5.506 -33.427 1.00 5.53 H new ATOM 0 HZ3 LYS A 61 0.892 6.391 -33.276 1.00 5.53 H new ATOM 945 N GLY A 62 0.671 10.588 -26.853 1.00 52.51 N ATOM 946 CA GLY A 62 0.374 11.892 -26.285 1.00 15.41 C ATOM 947 C GLY A 62 0.174 11.798 -24.771 1.00 11.11 C ATOM 948 O GLY A 62 -0.393 12.702 -24.158 1.00 70.25 O ATOM 0 H GLY A 62 1.536 10.545 -27.392 1.00 52.51 H new ATOM 0 HA2 GLY A 62 1.188 12.583 -26.506 1.00 15.41 H new ATOM 0 HA3 GLY A 62 -0.524 12.299 -26.749 1.00 15.41 H new ATOM 952 N TYR A 63 0.651 10.696 -24.211 1.00 12.33 N ATOM 953 CA TYR A 63 0.532 10.472 -22.780 1.00 12.20 C ATOM 954 C TYR A 63 1.649 11.188 -22.018 1.00 64.51 C ATOM 955 O TYR A 63 2.565 11.740 -22.626 1.00 71.11 O ATOM 956 CB TYR A 63 0.677 8.963 -22.576 1.00 71.11 C ATOM 957 CG TYR A 63 0.954 8.554 -21.128 1.00 15.42 C ATOM 958 CD1 TYR A 63 2.250 8.528 -20.654 1.00 35.32 C ATOM 959 CD2 TYR A 63 -0.093 8.213 -20.295 1.00 62.34 C ATOM 960 CE1 TYR A 63 2.510 8.143 -19.291 1.00 11.23 C ATOM 961 CE2 TYR A 63 0.168 7.828 -18.932 1.00 54.23 C ATOM 962 CZ TYR A 63 1.456 7.813 -18.497 1.00 60.52 C ATOM 963 OH TYR A 63 1.702 7.449 -17.210 1.00 11.51 O ATOM 0 H TYR A 63 1.121 9.949 -24.722 1.00 12.33 H new ATOM 0 HA TYR A 63 -0.419 10.854 -22.409 1.00 12.20 H new ATOM 0 HB2 TYR A 63 -0.236 8.472 -22.913 1.00 71.11 H new ATOM 0 HB3 TYR A 63 1.487 8.598 -23.207 1.00 71.11 H new ATOM 0 HD1 TYR A 63 3.069 8.796 -21.305 1.00 35.32 H new ATOM 0 HD2 TYR A 63 -1.107 8.235 -20.665 1.00 62.34 H new ATOM 0 HE1 TYR A 63 3.519 8.117 -18.908 1.00 11.23 H new ATOM 0 HE2 TYR A 63 -0.641 7.557 -18.270 1.00 54.23 H new ATOM 0 HH TYR A 63 0.867 7.472 -16.698 1.00 11.51 H new ATOM 973 N ALA A 64 1.538 11.154 -20.698 1.00 53.14 N ATOM 974 CA ALA A 64 2.527 11.792 -19.847 1.00 43.31 C ATOM 975 C ALA A 64 2.035 11.775 -18.399 1.00 22.55 C ATOM 976 O ALA A 64 0.831 11.796 -18.148 1.00 3.12 O ATOM 977 CB ALA A 64 2.798 13.210 -20.354 1.00 1.44 C ATOM 0 H ALA A 64 0.778 10.694 -20.197 1.00 53.14 H new ATOM 0 HA ALA A 64 3.471 11.248 -19.881 1.00 43.31 H new ATOM 0 HB1 ALA A 64 3.540 13.689 -19.715 1.00 1.44 H new ATOM 0 HB2 ALA A 64 3.173 13.165 -21.376 1.00 1.44 H new ATOM 0 HB3 ALA A 64 1.874 13.787 -20.332 1.00 1.44 H new ATOM 983 N PRO A 65 3.017 11.734 -17.458 1.00 42.44 N ATOM 984 CA PRO A 65 2.696 11.713 -16.041 1.00 43.45 C ATOM 985 C PRO A 65 2.245 13.094 -15.561 1.00 50.20 C ATOM 986 O PRO A 65 2.190 14.041 -16.345 1.00 23.25 O ATOM 987 CB PRO A 65 3.966 11.232 -15.358 1.00 15.13 C ATOM 988 CG PRO A 65 5.087 11.446 -16.362 1.00 34.13 C ATOM 989 CD PRO A 65 4.454 11.708 -17.718 1.00 74.15 C ATOM 0 HA PRO A 65 1.860 11.054 -15.808 1.00 43.45 H new ATOM 0 HB2 PRO A 65 4.152 11.791 -14.441 1.00 15.13 H new ATOM 0 HB3 PRO A 65 3.886 10.181 -15.080 1.00 15.13 H new ATOM 0 HG2 PRO A 65 5.712 12.288 -16.063 1.00 34.13 H new ATOM 0 HG3 PRO A 65 5.733 10.569 -16.405 1.00 34.13 H new ATOM 0 HD2 PRO A 65 4.797 12.653 -18.139 1.00 74.15 H new ATOM 0 HD3 PRO A 65 4.713 10.927 -18.433 1.00 74.15 H new