USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 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 97 ASN : amide:sc= 1.19 K(o=1.2,f=-4.3!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 CYS SG : rot -130:sc= 0.902 USER MOD Set 2.2: A 137 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 0.209 (180deg=-0.514) USER MOD Set 3.2: A 50 TYR OH : rot -6:sc= 1.2 USER MOD Set 3.3: A 57 THR OG1 : rot 75:sc= 1.21 USER MOD Set 4.1: A 43 THR OG1 : rot 10:sc= 0.558 USER MOD Set 4.2: A 45 THR OG1 : rot 58:sc= 0.382 USER MOD Set 5.1: A 5 GLN : amide:sc= 0.453 K(o=0.37,f=-3.7) USER MOD Set 5.2: A 35 THR OG1 : rot -150:sc= -0.0848 USER MOD Set 6.1: A 16 THR OG1 : rot 95:sc= 1.13 USER MOD Set 6.2: A 20 CYS SG : rot -26:sc= 2.06 USER MOD Set 6.3: A 69 TYR OH : rot -167:sc= 1.09 USER MOD Set 7.1: A 11 GLN : amide:sc= -0.879 K(o=-1,f=-9.3!) USER MOD Set 7.2: A 119 ASN : amide:sc= -0.129 K(o=-1,f=-13!) USER MOD Single : A 10 MET CE :methyl 149:sc= -4.25 (180deg=-11.1!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0947 USER MOD Single : A 15 MET CE :methyl 165:sc= -2.38! (180deg=-2.98) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0178 F(o=-1.9!,f=-0.018) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 47 ASN : amide:sc= -0.974 K(o=-0.97,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot -60:sc= 0.579 USER MOD Single : A 61 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= 1.17 (180deg=1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.056) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.0103 (180deg=-0.181) USER MOD Single : A 83 MET CE :methyl 177:sc= -2.23 (180deg=-2.46) USER MOD Single : A 90 ASN : amide:sc=-0.00818 X(o=-0.0082,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 1.06 K(o=1.1,f=-0.22) USER MOD Single : A 108 ASN : amide:sc=-0.00381 K(o=-0.0038,f=-2.3!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 150:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 129 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.776) USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0655) USER MOD Single : A 138 LYS NZ :NH3+ 139:sc= 1.13 (180deg=-0.525) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 159:sc= -0.0559 (180deg=-0.706) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.179 -14.412 5.265 1.00 1.38 N ATOM 66 CA GLN A 5 0.048 -13.759 4.631 1.00 1.31 C ATOM 67 C GLN A 5 -0.252 -12.453 5.349 1.00 1.42 C ATOM 68 O GLN A 5 0.030 -12.314 6.539 1.00 1.58 O ATOM 69 CB GLN A 5 -1.180 -14.673 4.718 1.00 1.36 C ATOM 70 CG GLN A 5 -1.003 -15.895 3.817 1.00 1.20 C ATOM 71 CD GLN A 5 -1.371 -15.601 2.373 1.00 1.65 C ATOM 72 OE1 GLN A 5 -2.344 -14.909 2.099 1.00 2.98 O ATOM 73 NE2 GLN A 5 -0.640 -16.173 1.430 1.00 1.58 N ATOM 0 HA GLN A 5 0.285 -13.557 3.586 1.00 1.31 H new ATOM 0 HB2 GLN A 5 -1.330 -14.993 5.749 1.00 1.36 H new ATOM 0 HB3 GLN A 5 -2.073 -14.122 4.422 1.00 1.36 H new ATOM 0 HG2 GLN A 5 0.032 -16.233 3.865 1.00 1.20 H new ATOM 0 HG3 GLN A 5 -1.622 -16.711 4.189 1.00 1.20 H new ATOM 0 HE21 GLN A 5 0.165 -16.744 1.685 1.00 1.58 H new ATOM 0 HE22 GLN A 5 -0.882 -16.042 0.448 1.00 1.58 H new ATOM 82 N LYS A 6 -0.864 -11.515 4.632 1.00 1.52 N ATOM 83 CA LYS A 6 -1.335 -10.276 5.212 1.00 1.67 C ATOM 84 C LYS A 6 -2.477 -9.758 4.356 1.00 1.30 C ATOM 85 O LYS A 6 -2.526 -10.051 3.158 1.00 1.15 O ATOM 86 CB LYS A 6 -0.174 -9.281 5.328 1.00 2.12 C ATOM 87 CG LYS A 6 0.497 -8.942 3.989 1.00 2.14 C ATOM 88 CD LYS A 6 -0.317 -7.922 3.176 1.00 2.43 C ATOM 89 CE LYS A 6 0.634 -6.938 2.505 1.00 2.26 C ATOM 90 NZ LYS A 6 -0.084 -5.825 1.860 1.00 3.11 N ATOM 0 H LYS A 6 -1.044 -11.599 3.632 1.00 1.52 H new ATOM 0 HA LYS A 6 -1.711 -10.428 6.224 1.00 1.67 H new ATOM 0 HB2 LYS A 6 -0.542 -8.361 5.781 1.00 2.12 H new ATOM 0 HB3 LYS A 6 0.576 -9.691 6.004 1.00 2.12 H new ATOM 0 HG2 LYS A 6 1.495 -8.544 4.174 1.00 2.14 H new ATOM 0 HG3 LYS A 6 0.621 -9.854 3.405 1.00 2.14 H new ATOM 0 HD2 LYS A 6 -0.918 -8.435 2.425 1.00 2.43 H new ATOM 0 HD3 LYS A 6 -1.009 -7.389 3.828 1.00 2.43 H new ATOM 0 HE2 LYS A 6 1.326 -6.540 3.247 1.00 2.26 H new ATOM 0 HE3 LYS A 6 1.232 -7.463 1.760 1.00 2.26 H new ATOM 0 HZ1 LYS A 6 0.596 -5.089 1.581 1.00 3.11 H new ATOM 0 HZ2 LYS A 6 -0.581 -6.175 1.016 1.00 3.11 H new ATOM 0 HZ3 LYS A 6 -0.774 -5.424 2.527 1.00 3.11 H new ATOM 104 N GLU A 7 -3.372 -8.990 4.968 1.00 1.40 N ATOM 105 CA GLU A 7 -4.450 -8.285 4.313 1.00 1.16 C ATOM 106 C GLU A 7 -3.980 -6.880 3.934 1.00 1.15 C ATOM 107 O GLU A 7 -3.217 -6.246 4.661 1.00 1.44 O ATOM 108 CB GLU A 7 -5.711 -8.275 5.202 1.00 1.47 C ATOM 109 CG GLU A 7 -5.500 -7.823 6.658 1.00 2.32 C ATOM 110 CD GLU A 7 -4.955 -8.936 7.545 1.00 2.23 C ATOM 111 OE1 GLU A 7 -3.709 -9.034 7.615 1.00 2.13 O ATOM 112 OE2 GLU A 7 -5.787 -9.687 8.096 1.00 3.31 O ATOM 0 H GLU A 7 -3.359 -8.840 5.977 1.00 1.40 H new ATOM 0 HA GLU A 7 -4.728 -8.800 3.393 1.00 1.16 H new ATOM 0 HB2 GLU A 7 -6.452 -7.621 4.742 1.00 1.47 H new ATOM 0 HB3 GLU A 7 -6.134 -9.279 5.211 1.00 1.47 H new ATOM 0 HG2 GLU A 7 -4.811 -6.979 6.676 1.00 2.32 H new ATOM 0 HG3 GLU A 7 -6.447 -7.470 7.066 1.00 2.32 H new ATOM 119 N ILE A 8 -4.415 -6.393 2.773 1.00 0.90 N ATOM 120 CA ILE A 8 -4.358 -4.979 2.412 1.00 0.90 C ATOM 121 C ILE A 8 -5.777 -4.546 2.065 1.00 0.80 C ATOM 122 O ILE A 8 -6.382 -5.136 1.171 1.00 0.70 O ATOM 123 CB ILE A 8 -3.340 -4.738 1.280 1.00 0.87 C ATOM 124 CG1 ILE A 8 -3.412 -3.354 0.623 1.00 1.15 C ATOM 125 CG2 ILE A 8 -3.339 -5.845 0.235 1.00 0.85 C ATOM 126 CD1 ILE A 8 -4.257 -3.266 -0.659 1.00 3.06 C ATOM 0 H ILE A 8 -4.823 -6.980 2.046 1.00 0.90 H new ATOM 0 HA ILE A 8 -3.999 -4.368 3.240 1.00 0.90 H new ATOM 0 HB ILE A 8 -2.380 -4.764 1.796 1.00 0.87 H new ATOM 0 HG12 ILE A 8 -3.814 -2.648 1.350 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -2.398 -3.030 0.390 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -2.602 -5.618 -0.535 1.00 0.85 H new ATOM 0 HG22 ILE A 8 -3.087 -6.793 0.710 1.00 0.85 H new ATOM 0 HG23 ILE A 8 -4.327 -5.918 -0.219 1.00 0.85 H new ATOM 0 HD11 ILE A 8 -4.238 -2.244 -1.038 1.00 3.06 H new ATOM 0 HD12 ILE A 8 -3.847 -3.940 -1.412 1.00 3.06 H new ATOM 0 HD13 ILE A 8 -5.285 -3.552 -0.437 1.00 3.06 H new ATOM 138 N ALA A 9 -6.305 -3.560 2.801 1.00 0.93 N ATOM 139 CA ALA A 9 -7.652 -3.037 2.659 1.00 0.93 C ATOM 140 C ALA A 9 -7.562 -1.617 2.109 1.00 0.98 C ATOM 141 O ALA A 9 -7.359 -0.689 2.882 1.00 1.58 O ATOM 142 CB ALA A 9 -8.340 -3.058 4.029 1.00 1.05 C ATOM 0 H ALA A 9 -5.777 -3.092 3.538 1.00 0.93 H new ATOM 0 HA ALA A 9 -8.239 -3.645 1.971 1.00 0.93 H new ATOM 0 HB1 ALA A 9 -9.353 -2.667 3.933 1.00 1.05 H new ATOM 0 HB2 ALA A 9 -8.380 -4.082 4.400 1.00 1.05 H new ATOM 0 HB3 ALA A 9 -7.777 -2.440 4.728 1.00 1.05 H new ATOM 148 N MET A 10 -7.670 -1.435 0.791 1.00 0.52 N ATOM 149 CA MET A 10 -7.576 -0.105 0.169 1.00 0.48 C ATOM 150 C MET A 10 -8.901 0.319 -0.453 1.00 0.48 C ATOM 151 O MET A 10 -9.713 -0.535 -0.787 1.00 0.66 O ATOM 152 CB MET A 10 -6.434 -0.055 -0.854 1.00 0.45 C ATOM 153 CG MET A 10 -5.047 0.154 -0.222 1.00 0.63 C ATOM 154 SD MET A 10 -4.683 1.763 0.532 1.00 2.98 S ATOM 155 CE MET A 10 -5.298 1.490 2.206 1.00 5.11 C ATOM 0 H MET A 10 -7.824 -2.194 0.128 1.00 0.52 H new ATOM 0 HA MET A 10 -7.348 0.612 0.958 1.00 0.48 H new ATOM 0 HB2 MET A 10 -6.428 -0.984 -1.424 1.00 0.45 H new ATOM 0 HB3 MET A 10 -6.627 0.752 -1.561 1.00 0.45 H new ATOM 0 HG2 MET A 10 -4.911 -0.611 0.543 1.00 0.63 H new ATOM 0 HG3 MET A 10 -4.299 -0.029 -0.993 1.00 0.63 H new ATOM 0 HE1 MET A 10 -4.709 2.078 2.910 1.00 5.11 H new ATOM 0 HE2 MET A 10 -6.343 1.794 2.264 1.00 5.11 H new ATOM 0 HE3 MET A 10 -5.214 0.433 2.457 1.00 5.11 H new ATOM 165 N GLN A 11 -9.137 1.630 -0.614 1.00 0.45 N ATOM 166 CA GLN A 11 -10.335 2.088 -1.309 1.00 0.42 C ATOM 167 C GLN A 11 -10.131 2.067 -2.818 1.00 0.39 C ATOM 168 O GLN A 11 -9.104 2.529 -3.316 1.00 0.49 O ATOM 169 CB GLN A 11 -10.760 3.482 -0.858 1.00 0.54 C ATOM 170 CG GLN A 11 -11.717 3.387 0.331 1.00 0.87 C ATOM 171 CD GLN A 11 -12.069 4.766 0.862 1.00 1.22 C ATOM 172 OE1 GLN A 11 -11.248 5.675 0.826 1.00 2.04 O ATOM 173 NE2 GLN A 11 -13.254 4.922 1.436 1.00 1.90 N ATOM 0 H GLN A 11 -8.524 2.373 -0.278 1.00 0.45 H new ATOM 0 HA GLN A 11 -11.135 1.395 -1.050 1.00 0.42 H new ATOM 0 HB2 GLN A 11 -9.882 4.065 -0.581 1.00 0.54 H new ATOM 0 HB3 GLN A 11 -11.244 4.006 -1.682 1.00 0.54 H new ATOM 0 HG2 GLN A 11 -12.626 2.867 0.029 1.00 0.87 H new ATOM 0 HG3 GLN A 11 -11.259 2.795 1.123 1.00 0.87 H new ATOM 0 HE21 GLN A 11 -13.919 4.149 1.452 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -13.501 5.815 1.862 1.00 1.90 H new ATOM 182 N VAL A 12 -11.137 1.555 -3.527 1.00 0.37 N ATOM 183 CA VAL A 12 -11.185 1.472 -4.971 1.00 0.40 C ATOM 184 C VAL A 12 -12.367 2.307 -5.462 1.00 0.37 C ATOM 185 O VAL A 12 -13.298 2.552 -4.703 1.00 0.63 O ATOM 186 CB VAL A 12 -11.250 -0.013 -5.373 1.00 0.59 C ATOM 187 CG1 VAL A 12 -12.398 -0.773 -4.690 1.00 0.67 C ATOM 188 CG2 VAL A 12 -11.360 -0.186 -6.887 1.00 0.74 C ATOM 0 H VAL A 12 -11.972 1.173 -3.083 1.00 0.37 H new ATOM 0 HA VAL A 12 -10.293 1.883 -5.444 1.00 0.40 H new ATOM 0 HB VAL A 12 -10.310 -0.444 -5.028 1.00 0.59 H new ATOM 0 HG11 VAL A 12 -12.390 -1.813 -5.015 1.00 0.67 H new ATOM 0 HG12 VAL A 12 -12.270 -0.729 -3.608 1.00 0.67 H new ATOM 0 HG13 VAL A 12 -13.349 -0.316 -4.962 1.00 0.67 H new ATOM 0 HG21 VAL A 12 -11.403 -1.248 -7.130 1.00 0.74 H new ATOM 0 HG22 VAL A 12 -12.265 0.305 -7.245 1.00 0.74 H new ATOM 0 HG23 VAL A 12 -10.490 0.261 -7.368 1.00 0.74 H new ATOM 198 N SER A 13 -12.318 2.780 -6.708 1.00 0.37 N ATOM 199 CA SER A 13 -13.415 3.473 -7.366 1.00 0.41 C ATOM 200 C SER A 13 -13.636 2.877 -8.750 1.00 0.56 C ATOM 201 O SER A 13 -12.794 2.135 -9.252 1.00 0.79 O ATOM 202 CB SER A 13 -13.081 4.952 -7.516 1.00 0.56 C ATOM 203 OG SER A 13 -12.666 5.487 -6.279 1.00 1.01 O ATOM 0 H SER A 13 -11.491 2.687 -7.298 1.00 0.37 H new ATOM 0 HA SER A 13 -14.316 3.361 -6.762 1.00 0.41 H new ATOM 0 HB2 SER A 13 -12.293 5.081 -8.258 1.00 0.56 H new ATOM 0 HB3 SER A 13 -13.954 5.494 -7.880 1.00 0.56 H new ATOM 0 HG SER A 13 -12.453 6.437 -6.389 1.00 1.01 H new ATOM 209 N GLY A 14 -14.766 3.227 -9.367 1.00 0.65 N ATOM 210 CA GLY A 14 -15.210 2.642 -10.625 1.00 0.86 C ATOM 211 C GLY A 14 -16.082 1.411 -10.378 1.00 0.96 C ATOM 212 O GLY A 14 -16.637 0.846 -11.318 1.00 1.11 O ATOM 0 H GLY A 14 -15.403 3.933 -8.999 1.00 0.65 H new ATOM 0 HA2 GLY A 14 -15.772 3.381 -11.196 1.00 0.86 H new ATOM 0 HA3 GLY A 14 -14.345 2.364 -11.227 1.00 0.86 H new ATOM 216 N MET A 15 -16.220 0.996 -9.115 1.00 0.96 N ATOM 217 CA MET A 15 -17.081 -0.113 -8.738 1.00 1.11 C ATOM 218 C MET A 15 -18.545 0.202 -9.068 1.00 1.27 C ATOM 219 O MET A 15 -19.217 0.922 -8.337 1.00 1.42 O ATOM 220 CB MET A 15 -16.907 -0.417 -7.239 1.00 1.10 C ATOM 221 CG MET A 15 -15.936 -1.573 -6.960 1.00 1.17 C ATOM 222 SD MET A 15 -16.416 -2.670 -5.599 1.00 1.81 S ATOM 223 CE MET A 15 -18.015 -3.265 -6.210 1.00 3.84 C ATOM 0 H MET A 15 -15.733 1.425 -8.328 1.00 0.96 H new ATOM 0 HA MET A 15 -16.795 -0.996 -9.310 1.00 1.11 H new ATOM 0 HB2 MET A 15 -16.548 0.479 -6.733 1.00 1.10 H new ATOM 0 HB3 MET A 15 -17.879 -0.657 -6.809 1.00 1.10 H new ATOM 0 HG2 MET A 15 -15.834 -2.168 -7.867 1.00 1.17 H new ATOM 0 HG3 MET A 15 -14.953 -1.156 -6.741 1.00 1.17 H new ATOM 0 HE1 MET A 15 -18.322 -4.139 -5.635 1.00 3.84 H new ATOM 0 HE2 MET A 15 -18.762 -2.478 -6.101 1.00 3.84 H new ATOM 0 HE3 MET A 15 -17.925 -3.536 -7.262 1.00 3.84 H new ATOM 233 N THR A 16 -19.065 -0.387 -10.149 1.00 1.37 N ATOM 234 CA THR A 16 -20.468 -0.249 -10.521 1.00 1.55 C ATOM 235 C THR A 16 -21.404 -0.928 -9.513 1.00 1.46 C ATOM 236 O THR A 16 -22.587 -0.610 -9.492 1.00 1.67 O ATOM 237 CB THR A 16 -20.677 -0.768 -11.952 1.00 1.69 C ATOM 238 OG1 THR A 16 -19.656 -0.256 -12.786 1.00 1.84 O ATOM 239 CG2 THR A 16 -22.028 -0.368 -12.549 1.00 1.95 C ATOM 0 H THR A 16 -18.523 -0.971 -10.787 1.00 1.37 H new ATOM 0 HA THR A 16 -20.729 0.809 -10.498 1.00 1.55 H new ATOM 0 HB THR A 16 -20.649 -1.856 -11.897 1.00 1.69 H new ATOM 0 HG1 THR A 16 -18.926 -0.907 -12.847 1.00 1.84 H new ATOM 0 HG21 THR A 16 -22.111 -0.766 -13.560 1.00 1.95 H new ATOM 0 HG22 THR A 16 -22.832 -0.771 -11.933 1.00 1.95 H new ATOM 0 HG23 THR A 16 -22.105 0.719 -12.580 1.00 1.95 H new ATOM 247 N CYS A 17 -20.883 -1.852 -8.694 1.00 1.29 N ATOM 248 CA CYS A 17 -21.614 -2.504 -7.606 1.00 1.41 C ATOM 249 C CYS A 17 -22.464 -3.635 -8.170 1.00 1.61 C ATOM 250 O CYS A 17 -23.686 -3.560 -8.241 1.00 2.75 O ATOM 251 CB CYS A 17 -22.405 -1.522 -6.728 1.00 2.31 C ATOM 252 SG CYS A 17 -23.117 -2.444 -5.348 1.00 2.91 S ATOM 0 H CYS A 17 -19.918 -2.172 -8.774 1.00 1.29 H new ATOM 0 HA CYS A 17 -20.887 -2.937 -6.919 1.00 1.41 H new ATOM 0 HB2 CYS A 17 -21.752 -0.731 -6.360 1.00 2.31 H new ATOM 0 HB3 CYS A 17 -23.191 -1.041 -7.310 1.00 2.31 H new ATOM 0 HG CYS A 17 -23.791 -1.634 -4.587 1.00 2.91 H new ATOM 258 N ALA A 18 -21.756 -4.680 -8.604 1.00 1.80 N ATOM 259 CA ALA A 18 -22.256 -5.901 -9.209 1.00 2.32 C ATOM 260 C ALA A 18 -21.005 -6.671 -9.643 1.00 1.75 C ATOM 261 O ALA A 18 -20.096 -6.871 -8.839 1.00 2.18 O ATOM 262 CB ALA A 18 -23.222 -5.605 -10.374 1.00 3.61 C ATOM 0 H ALA A 18 -20.739 -4.688 -8.532 1.00 1.80 H new ATOM 0 HA ALA A 18 -22.853 -6.493 -8.515 1.00 2.32 H new ATOM 0 HB1 ALA A 18 -23.575 -6.544 -10.801 1.00 3.61 H new ATOM 0 HB2 ALA A 18 -24.072 -5.032 -10.005 1.00 3.61 H new ATOM 0 HB3 ALA A 18 -22.702 -5.030 -11.141 1.00 3.61 H new ATOM 268 N ALA A 19 -20.900 -7.018 -10.927 1.00 1.86 N ATOM 269 CA ALA A 19 -19.819 -7.823 -11.473 1.00 1.56 C ATOM 270 C ALA A 19 -18.436 -7.177 -11.361 1.00 1.28 C ATOM 271 O ALA A 19 -17.439 -7.865 -11.550 1.00 1.24 O ATOM 272 CB ALA A 19 -20.122 -8.084 -12.944 1.00 2.24 C ATOM 0 H ALA A 19 -21.584 -6.737 -11.629 1.00 1.86 H new ATOM 0 HA ALA A 19 -19.775 -8.740 -10.885 1.00 1.56 H new ATOM 0 HB1 ALA A 19 -19.325 -8.687 -13.378 1.00 2.24 H new ATOM 0 HB2 ALA A 19 -21.069 -8.617 -13.031 1.00 2.24 H new ATOM 0 HB3 ALA A 19 -20.189 -7.135 -13.476 1.00 2.24 H new ATOM 278 N CYS A 20 -18.348 -5.869 -11.111 1.00 1.18 N ATOM 279 CA CYS A 20 -17.079 -5.149 -11.112 1.00 1.03 C ATOM 280 C CYS A 20 -16.149 -5.744 -10.066 1.00 0.90 C ATOM 281 O CYS A 20 -15.043 -6.191 -10.376 1.00 0.88 O ATOM 282 CB CYS A 20 -17.324 -3.671 -10.814 1.00 0.99 C ATOM 283 SG CYS A 20 -17.958 -2.862 -12.294 1.00 1.11 S ATOM 0 H CYS A 20 -19.156 -5.282 -10.903 1.00 1.18 H new ATOM 0 HA CYS A 20 -16.614 -5.241 -12.093 1.00 1.03 H new ATOM 0 HB2 CYS A 20 -18.036 -3.566 -9.995 1.00 0.99 H new ATOM 0 HB3 CYS A 20 -16.398 -3.194 -10.494 1.00 0.99 H new ATOM 0 HG CYS A 20 -17.556 -3.508 -13.348 1.00 1.11 H new ATOM 289 N ALA A 21 -16.649 -5.781 -8.830 1.00 0.89 N ATOM 290 CA ALA A 21 -16.029 -6.512 -7.736 1.00 0.92 C ATOM 291 C ALA A 21 -15.606 -7.894 -8.210 1.00 1.01 C ATOM 292 O ALA A 21 -14.422 -8.209 -8.199 1.00 0.94 O ATOM 293 CB ALA A 21 -17.011 -6.638 -6.571 1.00 1.23 C ATOM 0 H ALA A 21 -17.506 -5.297 -8.563 1.00 0.89 H new ATOM 0 HA ALA A 21 -15.147 -5.967 -7.399 1.00 0.92 H new ATOM 0 HB1 ALA A 21 -16.540 -7.187 -5.756 1.00 1.23 H new ATOM 0 HB2 ALA A 21 -17.293 -5.644 -6.224 1.00 1.23 H new ATOM 0 HB3 ALA A 21 -17.901 -7.173 -6.902 1.00 1.23 H new ATOM 299 N ALA A 22 -16.570 -8.679 -8.694 1.00 1.20 N ATOM 300 CA ALA A 22 -16.328 -10.065 -9.068 1.00 1.31 C ATOM 301 C ALA A 22 -15.194 -10.172 -10.086 1.00 1.23 C ATOM 302 O ALA A 22 -14.370 -11.081 -10.016 1.00 1.23 O ATOM 303 CB ALA A 22 -17.616 -10.703 -9.593 1.00 1.59 C ATOM 0 H ALA A 22 -17.532 -8.371 -8.835 1.00 1.20 H new ATOM 0 HA ALA A 22 -16.015 -10.614 -8.180 1.00 1.31 H new ATOM 0 HB1 ALA A 22 -17.422 -11.739 -9.869 1.00 1.59 H new ATOM 0 HB2 ALA A 22 -18.380 -10.671 -8.817 1.00 1.59 H new ATOM 0 HB3 ALA A 22 -17.964 -10.153 -10.467 1.00 1.59 H new ATOM 309 N ARG A 23 -15.137 -9.239 -11.040 1.00 1.22 N ATOM 310 CA ARG A 23 -14.095 -9.192 -12.040 1.00 1.23 C ATOM 311 C ARG A 23 -12.748 -8.917 -11.396 1.00 1.05 C ATOM 312 O ARG A 23 -11.778 -9.591 -11.736 1.00 1.12 O ATOM 313 CB ARG A 23 -14.405 -8.137 -13.113 1.00 1.28 C ATOM 314 CG ARG A 23 -15.029 -8.777 -14.354 1.00 1.53 C ATOM 315 CD ARG A 23 -14.058 -9.798 -14.981 1.00 1.64 C ATOM 316 NE ARG A 23 -13.927 -9.621 -16.438 1.00 1.93 N ATOM 317 CZ ARG A 23 -14.884 -9.870 -17.348 1.00 1.50 C ATOM 318 NH1 ARG A 23 -16.077 -10.317 -16.944 1.00 2.69 N ATOM 319 NH2 ARG A 23 -14.643 -9.672 -18.649 1.00 1.64 N ATOM 0 H ARG A 23 -15.826 -8.492 -11.131 1.00 1.22 H new ATOM 0 HA ARG A 23 -14.053 -10.166 -12.527 1.00 1.23 H new ATOM 0 HB2 ARG A 23 -15.085 -7.389 -12.705 1.00 1.28 H new ATOM 0 HB3 ARG A 23 -13.488 -7.617 -13.391 1.00 1.28 H new ATOM 0 HG2 ARG A 23 -15.962 -9.272 -14.085 1.00 1.53 H new ATOM 0 HG3 ARG A 23 -15.276 -8.005 -15.083 1.00 1.53 H new ATOM 0 HD2 ARG A 23 -13.078 -9.698 -14.515 1.00 1.64 H new ATOM 0 HD3 ARG A 23 -14.409 -10.808 -14.770 1.00 1.64 H new ATOM 0 HE ARG A 23 -13.031 -9.279 -16.786 1.00 1.93 H new ATOM 0 HH11 ARG A 23 -16.256 -10.467 -15.951 1.00 2.69 H new ATOM 0 HH12 ARG A 23 -16.809 -10.508 -17.629 1.00 2.69 H new ATOM 0 HH21 ARG A 23 -13.731 -9.331 -18.953 1.00 1.64 H new ATOM 0 HH22 ARG A 23 -15.371 -9.862 -19.337 1.00 1.64 H new ATOM 333 N ILE A 24 -12.669 -7.940 -10.490 1.00 0.87 N ATOM 334 CA ILE A 24 -11.422 -7.679 -9.802 1.00 0.75 C ATOM 335 C ILE A 24 -11.052 -8.934 -9.014 1.00 0.72 C ATOM 336 O ILE A 24 -10.009 -9.523 -9.268 1.00 0.76 O ATOM 337 CB ILE A 24 -11.541 -6.412 -8.942 1.00 0.62 C ATOM 338 CG1 ILE A 24 -11.715 -5.184 -9.856 1.00 0.77 C ATOM 339 CG2 ILE A 24 -10.296 -6.233 -8.076 1.00 0.56 C ATOM 340 CD1 ILE A 24 -12.276 -3.967 -9.118 1.00 0.56 C ATOM 0 H ILE A 24 -13.443 -7.331 -10.225 1.00 0.87 H new ATOM 0 HA ILE A 24 -10.611 -7.473 -10.501 1.00 0.75 H new ATOM 0 HB ILE A 24 -12.409 -6.511 -8.290 1.00 0.62 H new ATOM 0 HG12 ILE A 24 -10.751 -4.924 -10.294 1.00 0.77 H new ATOM 0 HG13 ILE A 24 -12.381 -5.442 -10.680 1.00 0.77 H new ATOM 0 HG21 ILE A 24 -10.398 -5.330 -7.474 1.00 0.56 H new ATOM 0 HG22 ILE A 24 -10.182 -7.096 -7.420 1.00 0.56 H new ATOM 0 HG23 ILE A 24 -9.418 -6.145 -8.715 1.00 0.56 H new ATOM 0 HD11 ILE A 24 -12.376 -3.134 -9.814 1.00 0.56 H new ATOM 0 HD12 ILE A 24 -13.253 -4.212 -8.702 1.00 0.56 H new ATOM 0 HD13 ILE A 24 -11.599 -3.687 -8.311 1.00 0.56 H new ATOM 352 N GLU A 25 -11.914 -9.388 -8.107 1.00 0.71 N ATOM 353 CA GLU A 25 -11.660 -10.531 -7.250 1.00 0.69 C ATOM 354 C GLU A 25 -11.170 -11.714 -8.081 1.00 0.83 C ATOM 355 O GLU A 25 -10.109 -12.262 -7.792 1.00 0.84 O ATOM 356 CB GLU A 25 -12.928 -10.867 -6.460 1.00 0.87 C ATOM 357 CG GLU A 25 -13.284 -9.749 -5.469 1.00 0.83 C ATOM 358 CD GLU A 25 -14.690 -9.936 -4.913 1.00 2.31 C ATOM 359 OE1 GLU A 25 -15.627 -9.923 -5.738 1.00 3.64 O ATOM 360 OE2 GLU A 25 -14.803 -10.075 -3.677 1.00 2.88 O ATOM 0 H GLU A 25 -12.826 -8.959 -7.948 1.00 0.71 H new ATOM 0 HA GLU A 25 -10.872 -10.292 -6.535 1.00 0.69 H new ATOM 0 HB2 GLU A 25 -13.758 -11.022 -7.150 1.00 0.87 H new ATOM 0 HB3 GLU A 25 -12.784 -11.802 -5.919 1.00 0.87 H new ATOM 0 HG2 GLU A 25 -12.564 -9.741 -4.651 1.00 0.83 H new ATOM 0 HG3 GLU A 25 -13.212 -8.782 -5.966 1.00 0.83 H new ATOM 367 N LYS A 26 -11.901 -12.086 -9.137 1.00 0.99 N ATOM 368 CA LYS A 26 -11.517 -13.188 -10.002 1.00 1.17 C ATOM 369 C LYS A 26 -10.192 -12.901 -10.717 1.00 1.17 C ATOM 370 O LYS A 26 -9.319 -13.766 -10.792 1.00 1.29 O ATOM 371 CB LYS A 26 -12.636 -13.537 -10.998 1.00 1.38 C ATOM 372 CG LYS A 26 -12.434 -14.991 -11.443 1.00 1.51 C ATOM 373 CD LYS A 26 -12.840 -15.279 -12.894 1.00 2.20 C ATOM 374 CE LYS A 26 -14.360 -15.252 -13.091 1.00 1.98 C ATOM 375 NZ LYS A 26 -14.741 -15.710 -14.445 1.00 2.73 N ATOM 0 H LYS A 26 -12.771 -11.629 -9.409 1.00 0.99 H new ATOM 0 HA LYS A 26 -11.362 -14.063 -9.371 1.00 1.17 H new ATOM 0 HB2 LYS A 26 -13.614 -13.413 -10.532 1.00 1.38 H new ATOM 0 HB3 LYS A 26 -12.605 -12.867 -11.857 1.00 1.38 H new ATOM 0 HG2 LYS A 26 -11.384 -15.253 -11.315 1.00 1.51 H new ATOM 0 HG3 LYS A 26 -13.008 -15.642 -10.783 1.00 1.51 H new ATOM 0 HD2 LYS A 26 -12.378 -14.542 -13.551 1.00 2.20 H new ATOM 0 HD3 LYS A 26 -12.455 -16.255 -13.189 1.00 2.20 H new ATOM 0 HE2 LYS A 26 -14.836 -15.887 -12.344 1.00 1.98 H new ATOM 0 HE3 LYS A 26 -14.730 -14.239 -12.931 1.00 1.98 H new ATOM 0 HZ1 LYS A 26 -15.776 -15.679 -14.544 1.00 2.73 H new ATOM 0 HZ2 LYS A 26 -14.307 -15.088 -15.157 1.00 2.73 H new ATOM 0 HZ3 LYS A 26 -14.409 -16.685 -14.588 1.00 2.73 H new ATOM 389 N GLY A 27 -10.046 -11.695 -11.266 1.00 1.08 N ATOM 390 CA GLY A 27 -8.866 -11.295 -12.016 1.00 1.10 C ATOM 391 C GLY A 27 -7.621 -11.403 -11.142 1.00 1.07 C ATOM 392 O GLY A 27 -6.577 -11.873 -11.585 1.00 1.16 O ATOM 0 H GLY A 27 -10.754 -10.964 -11.199 1.00 1.08 H new ATOM 0 HA2 GLY A 27 -8.756 -11.927 -12.897 1.00 1.10 H new ATOM 0 HA3 GLY A 27 -8.982 -10.271 -12.370 1.00 1.10 H new ATOM 396 N LEU A 28 -7.744 -10.980 -9.888 1.00 0.94 N ATOM 397 CA LEU A 28 -6.703 -11.079 -8.886 1.00 0.86 C ATOM 398 C LEU A 28 -6.499 -12.548 -8.494 1.00 0.87 C ATOM 399 O LEU A 28 -5.360 -13.000 -8.424 1.00 0.88 O ATOM 400 CB LEU A 28 -7.051 -10.154 -7.705 1.00 0.73 C ATOM 401 CG LEU A 28 -6.644 -8.676 -7.918 1.00 0.71 C ATOM 402 CD1 LEU A 28 -5.125 -8.546 -7.885 1.00 1.59 C ATOM 403 CD2 LEU A 28 -7.169 -8.010 -9.192 1.00 1.56 C ATOM 0 H LEU A 28 -8.598 -10.547 -9.536 1.00 0.94 H new ATOM 0 HA LEU A 28 -5.744 -10.738 -9.276 1.00 0.86 H new ATOM 0 HB2 LEU A 28 -8.125 -10.201 -7.525 1.00 0.73 H new ATOM 0 HB3 LEU A 28 -6.560 -10.529 -6.807 1.00 0.73 H new ATOM 0 HG LEU A 28 -7.121 -8.145 -7.095 1.00 0.71 H new ATOM 0 HD11 LEU A 28 -4.846 -7.503 -8.036 1.00 1.59 H new ATOM 0 HD12 LEU A 28 -4.752 -8.886 -6.919 1.00 1.59 H new ATOM 0 HD13 LEU A 28 -4.690 -9.156 -8.677 1.00 1.59 H new ATOM 0 HD21 LEU A 28 -6.820 -6.978 -9.233 1.00 1.56 H new ATOM 0 HD22 LEU A 28 -6.802 -8.552 -10.064 1.00 1.56 H new ATOM 0 HD23 LEU A 28 -8.259 -8.025 -9.188 1.00 1.56 H new ATOM 415 N LYS A 29 -7.577 -13.321 -8.314 1.00 0.90 N ATOM 416 CA LYS A 29 -7.515 -14.757 -8.025 1.00 0.94 C ATOM 417 C LYS A 29 -6.681 -15.527 -9.062 1.00 1.05 C ATOM 418 O LYS A 29 -6.197 -16.618 -8.777 1.00 1.11 O ATOM 419 CB LYS A 29 -8.933 -15.357 -7.930 1.00 1.04 C ATOM 420 CG LYS A 29 -9.061 -16.439 -6.845 1.00 1.25 C ATOM 421 CD LYS A 29 -9.482 -15.888 -5.465 1.00 1.30 C ATOM 422 CE LYS A 29 -10.930 -15.354 -5.438 1.00 1.37 C ATOM 423 NZ LYS A 29 -11.471 -15.204 -4.064 1.00 1.76 N ATOM 0 H LYS A 29 -8.530 -12.960 -8.366 1.00 0.90 H new ATOM 0 HA LYS A 29 -7.017 -14.864 -7.062 1.00 0.94 H new ATOM 0 HB2 LYS A 29 -9.645 -14.558 -7.723 1.00 1.04 H new ATOM 0 HB3 LYS A 29 -9.205 -15.785 -8.895 1.00 1.04 H new ATOM 0 HG2 LYS A 29 -9.791 -17.181 -7.168 1.00 1.25 H new ATOM 0 HG3 LYS A 29 -8.106 -16.955 -6.744 1.00 1.25 H new ATOM 0 HD2 LYS A 29 -9.379 -16.676 -4.720 1.00 1.30 H new ATOM 0 HD3 LYS A 29 -8.801 -15.087 -5.178 1.00 1.30 H new ATOM 0 HE2 LYS A 29 -10.964 -14.388 -5.943 1.00 1.37 H new ATOM 0 HE3 LYS A 29 -11.571 -16.031 -6.002 1.00 1.37 H new ATOM 0 HZ1 LYS A 29 -12.445 -14.842 -4.112 1.00 1.76 H new ATOM 0 HZ2 LYS A 29 -11.468 -16.128 -3.587 1.00 1.76 H new ATOM 0 HZ3 LYS A 29 -10.880 -14.536 -3.529 1.00 1.76 H new ATOM 437 N ARG A 30 -6.520 -14.975 -10.270 1.00 1.09 N ATOM 438 CA ARG A 30 -5.647 -15.518 -11.304 1.00 1.21 C ATOM 439 C ARG A 30 -4.201 -15.698 -10.810 1.00 1.14 C ATOM 440 O ARG A 30 -3.475 -16.531 -11.349 1.00 1.23 O ATOM 441 CB ARG A 30 -5.703 -14.590 -12.527 1.00 1.35 C ATOM 442 CG ARG A 30 -5.238 -15.240 -13.837 1.00 1.78 C ATOM 443 CD ARG A 30 -5.696 -14.387 -15.035 1.00 2.99 C ATOM 444 NE ARG A 30 -4.691 -14.356 -16.112 1.00 4.14 N ATOM 445 CZ ARG A 30 -4.866 -13.773 -17.311 1.00 4.91 C ATOM 446 NH1 ARG A 30 -6.064 -13.278 -17.646 1.00 4.90 N ATOM 447 NH2 ARG A 30 -3.842 -13.677 -18.168 1.00 6.10 N ATOM 0 H ARG A 30 -7.003 -14.124 -10.556 1.00 1.09 H new ATOM 0 HA ARG A 30 -6.000 -16.513 -11.575 1.00 1.21 H new ATOM 0 HB2 ARG A 30 -6.727 -14.237 -12.654 1.00 1.35 H new ATOM 0 HB3 ARG A 30 -5.086 -13.713 -12.331 1.00 1.35 H new ATOM 0 HG2 ARG A 30 -4.152 -15.335 -13.841 1.00 1.78 H new ATOM 0 HG3 ARG A 30 -5.647 -16.247 -13.919 1.00 1.78 H new ATOM 0 HD2 ARG A 30 -6.633 -14.785 -15.426 1.00 2.99 H new ATOM 0 HD3 ARG A 30 -5.898 -13.370 -14.699 1.00 2.99 H new ATOM 0 HE ARG A 30 -3.795 -14.811 -15.935 1.00 4.14 H new ATOM 0 HH11 ARG A 30 -6.844 -13.343 -16.992 1.00 4.90 H new ATOM 0 HH12 ARG A 30 -6.197 -12.836 -18.555 1.00 4.90 H new ATOM 0 HH21 ARG A 30 -2.926 -14.047 -17.912 1.00 6.10 H new ATOM 0 HH22 ARG A 30 -3.977 -13.234 -19.077 1.00 6.10 H new ATOM 461 N MET A 31 -3.762 -14.894 -9.835 1.00 1.01 N ATOM 462 CA MET A 31 -2.406 -14.929 -9.299 1.00 0.98 C ATOM 463 C MET A 31 -2.287 -15.944 -8.155 1.00 0.92 C ATOM 464 O MET A 31 -3.215 -16.075 -7.362 1.00 0.94 O ATOM 465 CB MET A 31 -2.043 -13.519 -8.825 1.00 0.95 C ATOM 466 CG MET A 31 -1.781 -12.636 -10.047 1.00 1.27 C ATOM 467 SD MET A 31 -0.044 -12.661 -10.561 1.00 1.68 S ATOM 468 CE MET A 31 -0.177 -11.906 -12.192 1.00 1.58 C ATOM 0 H MET A 31 -4.353 -14.190 -9.392 1.00 1.01 H new ATOM 0 HA MET A 31 -1.711 -15.249 -10.076 1.00 0.98 H new ATOM 0 HB2 MET A 31 -2.853 -13.103 -8.226 1.00 0.95 H new ATOM 0 HB3 MET A 31 -1.160 -13.552 -8.187 1.00 0.95 H new ATOM 0 HG2 MET A 31 -2.406 -12.971 -10.874 1.00 1.27 H new ATOM 0 HG3 MET A 31 -2.075 -11.611 -9.820 1.00 1.27 H new ATOM 0 HE1 MET A 31 0.812 -11.847 -12.647 1.00 1.58 H new ATOM 0 HE2 MET A 31 -0.830 -12.511 -12.821 1.00 1.58 H new ATOM 0 HE3 MET A 31 -0.593 -10.903 -12.096 1.00 1.58 H new ATOM 478 N PRO A 32 -1.150 -16.650 -8.036 1.00 0.99 N ATOM 479 CA PRO A 32 -0.982 -17.729 -7.074 1.00 0.96 C ATOM 480 C PRO A 32 -0.960 -17.226 -5.630 1.00 0.96 C ATOM 481 O PRO A 32 -1.566 -17.850 -4.765 1.00 1.36 O ATOM 482 CB PRO A 32 0.330 -18.422 -7.450 1.00 1.20 C ATOM 483 CG PRO A 32 1.128 -17.322 -8.148 1.00 1.31 C ATOM 484 CD PRO A 32 0.041 -16.516 -8.861 1.00 1.17 C ATOM 0 HA PRO A 32 -1.826 -18.418 -7.116 1.00 0.96 H new ATOM 0 HB2 PRO A 32 0.851 -18.799 -6.570 1.00 1.20 H new ATOM 0 HB3 PRO A 32 0.160 -19.274 -8.109 1.00 1.20 H new ATOM 0 HG2 PRO A 32 1.683 -16.711 -7.436 1.00 1.31 H new ATOM 0 HG3 PRO A 32 1.854 -17.732 -8.850 1.00 1.31 H new ATOM 0 HD2 PRO A 32 0.332 -15.470 -8.963 1.00 1.17 H new ATOM 0 HD3 PRO A 32 -0.134 -16.898 -9.867 1.00 1.17 H new ATOM 492 N GLY A 33 -0.277 -16.110 -5.353 1.00 0.92 N ATOM 493 CA GLY A 33 -0.105 -15.637 -3.998 1.00 0.87 C ATOM 494 C GLY A 33 -1.424 -15.153 -3.417 1.00 0.72 C ATOM 495 O GLY A 33 -1.525 -15.061 -2.198 1.00 0.74 O ATOM 0 H GLY A 33 0.163 -15.523 -6.062 1.00 0.92 H new ATOM 0 HA2 GLY A 33 0.297 -16.438 -3.378 1.00 0.87 H new ATOM 0 HA3 GLY A 33 0.623 -14.826 -3.982 1.00 0.87 H new ATOM 499 N VAL A 34 -2.402 -14.803 -4.266 1.00 0.65 N ATOM 500 CA VAL A 34 -3.733 -14.401 -3.842 1.00 0.54 C ATOM 501 C VAL A 34 -4.410 -15.567 -3.133 1.00 0.50 C ATOM 502 O VAL A 34 -4.922 -16.484 -3.772 1.00 0.69 O ATOM 503 CB VAL A 34 -4.542 -13.819 -5.016 1.00 0.62 C ATOM 504 CG1 VAL A 34 -6.012 -13.613 -4.636 1.00 1.40 C ATOM 505 CG2 VAL A 34 -3.948 -12.459 -5.408 1.00 1.32 C ATOM 0 H VAL A 34 -2.279 -14.794 -5.279 1.00 0.65 H new ATOM 0 HA VAL A 34 -3.667 -13.587 -3.120 1.00 0.54 H new ATOM 0 HB VAL A 34 -4.490 -14.525 -5.845 1.00 0.62 H new ATOM 0 HG11 VAL A 34 -6.554 -13.201 -5.488 1.00 1.40 H new ATOM 0 HG12 VAL A 34 -6.452 -14.569 -4.354 1.00 1.40 H new ATOM 0 HG13 VAL A 34 -6.077 -12.922 -3.796 1.00 1.40 H new ATOM 0 HG21 VAL A 34 -4.515 -12.040 -6.239 1.00 1.32 H new ATOM 0 HG22 VAL A 34 -3.998 -11.781 -4.556 1.00 1.32 H new ATOM 0 HG23 VAL A 34 -2.908 -12.589 -5.708 1.00 1.32 H new ATOM 515 N THR A 35 -4.434 -15.499 -1.803 1.00 0.41 N ATOM 516 CA THR A 35 -5.037 -16.522 -0.980 1.00 0.44 C ATOM 517 C THR A 35 -6.526 -16.242 -0.900 1.00 0.47 C ATOM 518 O THR A 35 -7.334 -17.143 -1.120 1.00 0.57 O ATOM 519 CB THR A 35 -4.356 -16.557 0.386 1.00 0.51 C ATOM 520 OG1 THR A 35 -3.053 -17.045 0.161 1.00 0.68 O ATOM 521 CG2 THR A 35 -5.056 -17.482 1.386 1.00 0.68 C ATOM 0 H THR A 35 -4.032 -14.726 -1.273 1.00 0.41 H new ATOM 0 HA THR A 35 -4.902 -17.514 -1.411 1.00 0.44 H new ATOM 0 HB THR A 35 -4.379 -15.557 0.819 1.00 0.51 H new ATOM 0 HG1 THR A 35 -2.743 -17.528 0.955 1.00 0.68 H new ATOM 0 HG21 THR A 35 -4.522 -17.461 2.336 1.00 0.68 H new ATOM 0 HG22 THR A 35 -6.081 -17.144 1.538 1.00 0.68 H new ATOM 0 HG23 THR A 35 -5.064 -18.500 0.996 1.00 0.68 H new ATOM 529 N ASP A 36 -6.890 -14.987 -0.618 1.00 0.43 N ATOM 530 CA ASP A 36 -8.280 -14.580 -0.637 1.00 0.53 C ATOM 531 C ASP A 36 -8.355 -13.143 -1.157 1.00 0.51 C ATOM 532 O ASP A 36 -7.375 -12.402 -1.117 1.00 0.98 O ATOM 533 CB ASP A 36 -8.890 -14.800 0.752 1.00 0.68 C ATOM 534 CG ASP A 36 -10.408 -14.756 0.748 1.00 0.88 C ATOM 535 OD1 ASP A 36 -10.987 -14.404 -0.307 1.00 1.54 O ATOM 536 OD2 ASP A 36 -10.987 -15.011 1.820 1.00 1.74 O ATOM 0 H ASP A 36 -6.235 -14.244 -0.375 1.00 0.43 H new ATOM 0 HA ASP A 36 -8.881 -15.184 -1.317 1.00 0.53 H new ATOM 0 HB2 ASP A 36 -8.561 -15.765 1.138 1.00 0.68 H new ATOM 0 HB3 ASP A 36 -8.512 -14.038 1.434 1.00 0.68 H new ATOM 541 N ALA A 37 -9.495 -12.772 -1.727 1.00 0.54 N ATOM 542 CA ALA A 37 -9.709 -11.505 -2.402 1.00 0.42 C ATOM 543 C ALA A 37 -11.167 -11.143 -2.187 1.00 0.47 C ATOM 544 O ALA A 37 -12.034 -11.892 -2.636 1.00 0.57 O ATOM 545 CB ALA A 37 -9.376 -11.624 -3.894 1.00 0.48 C ATOM 0 H ALA A 37 -10.323 -13.368 -1.730 1.00 0.54 H new ATOM 0 HA ALA A 37 -9.058 -10.728 -2.002 1.00 0.42 H new ATOM 0 HB1 ALA A 37 -9.543 -10.664 -4.382 1.00 0.48 H new ATOM 0 HB2 ALA A 37 -8.332 -11.914 -4.012 1.00 0.48 H new ATOM 0 HB3 ALA A 37 -10.016 -12.379 -4.351 1.00 0.48 H new ATOM 551 N ASN A 38 -11.409 -10.049 -1.459 1.00 0.49 N ATOM 552 CA ASN A 38 -12.731 -9.607 -1.045 1.00 0.58 C ATOM 553 C ASN A 38 -12.836 -8.114 -1.318 1.00 0.55 C ATOM 554 O ASN A 38 -11.819 -7.438 -1.476 1.00 0.56 O ATOM 555 CB ASN A 38 -12.935 -9.893 0.451 1.00 0.67 C ATOM 556 CG ASN A 38 -12.959 -11.391 0.721 1.00 0.95 C ATOM 557 OD1 ASN A 38 -11.783 -12.000 0.804 1.00 2.18 O flip ATOM 558 ND2 ASN A 38 -14.023 -11.991 0.832 1.00 0.86 N flip ATOM 0 H ASN A 38 -10.664 -9.433 -1.135 1.00 0.49 H new ATOM 0 HA ASN A 38 -13.502 -10.142 -1.600 1.00 0.58 H new ATOM 0 HB2 ASN A 38 -12.134 -9.429 1.026 1.00 0.67 H new ATOM 0 HB3 ASN A 38 -13.870 -9.444 0.787 1.00 0.67 H new ATOM 0 HD21 ASN A 38 -14.905 -11.483 0.761 1.00 0.86 H new ATOM 0 HD22 ASN A 38 -14.026 -12.998 0.995 1.00 0.86 H new ATOM 565 N VAL A 39 -14.052 -7.572 -1.338 1.00 0.62 N ATOM 566 CA VAL A 39 -14.266 -6.146 -1.502 1.00 0.57 C ATOM 567 C VAL A 39 -15.551 -5.737 -0.797 1.00 0.69 C ATOM 568 O VAL A 39 -16.657 -6.092 -1.200 1.00 0.87 O ATOM 569 CB VAL A 39 -14.179 -5.747 -2.988 1.00 0.66 C ATOM 570 CG1 VAL A 39 -15.155 -6.515 -3.877 1.00 0.95 C ATOM 571 CG2 VAL A 39 -14.390 -4.244 -3.205 1.00 0.62 C ATOM 0 H VAL A 39 -14.912 -8.113 -1.241 1.00 0.62 H new ATOM 0 HA VAL A 39 -13.469 -5.580 -1.019 1.00 0.57 H new ATOM 0 HB VAL A 39 -13.164 -6.013 -3.281 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -15.042 -6.186 -4.910 1.00 0.95 H new ATOM 0 HG12 VAL A 39 -14.945 -7.582 -3.811 1.00 0.95 H new ATOM 0 HG13 VAL A 39 -16.176 -6.325 -3.545 1.00 0.95 H new ATOM 0 HG21 VAL A 39 -14.319 -4.016 -4.269 1.00 0.62 H new ATOM 0 HG22 VAL A 39 -15.376 -3.958 -2.838 1.00 0.62 H new ATOM 0 HG23 VAL A 39 -13.626 -3.687 -2.663 1.00 0.62 H new ATOM 581 N ASN A 40 -15.395 -4.942 0.260 1.00 0.65 N ATOM 582 CA ASN A 40 -16.517 -4.377 0.978 1.00 0.78 C ATOM 583 C ASN A 40 -16.954 -3.176 0.161 1.00 0.77 C ATOM 584 O ASN A 40 -16.625 -2.032 0.482 1.00 0.74 O ATOM 585 CB ASN A 40 -16.125 -3.972 2.404 1.00 0.85 C ATOM 586 CG ASN A 40 -16.181 -5.134 3.385 1.00 1.09 C ATOM 587 OD1 ASN A 40 -15.823 -6.262 3.066 1.00 1.72 O ATOM 588 ND2 ASN A 40 -16.660 -4.868 4.597 1.00 1.45 N ATOM 0 H ASN A 40 -14.485 -4.676 0.636 1.00 0.65 H new ATOM 0 HA ASN A 40 -17.325 -5.100 1.092 1.00 0.78 H new ATOM 0 HB2 ASN A 40 -15.116 -3.559 2.395 1.00 0.85 H new ATOM 0 HB3 ASN A 40 -16.791 -3.180 2.748 1.00 0.85 H new ATOM 0 HD21 ASN A 40 -16.737 -5.613 5.290 1.00 1.45 H new ATOM 0 HD22 ASN A 40 -16.950 -3.919 4.834 1.00 1.45 H new ATOM 595 N LEU A 41 -17.704 -3.468 -0.906 1.00 0.83 N ATOM 596 CA LEU A 41 -18.322 -2.473 -1.770 1.00 0.87 C ATOM 597 C LEU A 41 -19.174 -1.492 -0.977 1.00 0.93 C ATOM 598 O LEU A 41 -19.276 -0.326 -1.343 1.00 1.00 O ATOM 599 CB LEU A 41 -19.064 -3.149 -2.930 1.00 0.98 C ATOM 600 CG LEU A 41 -20.361 -3.908 -2.622 1.00 1.20 C ATOM 601 CD1 LEU A 41 -21.561 -2.987 -2.353 1.00 1.42 C ATOM 602 CD2 LEU A 41 -20.689 -4.796 -3.830 1.00 1.76 C ATOM 0 H LEU A 41 -17.899 -4.427 -1.195 1.00 0.83 H new ATOM 0 HA LEU A 41 -17.539 -1.866 -2.224 1.00 0.87 H new ATOM 0 HB2 LEU A 41 -19.296 -2.381 -3.668 1.00 0.98 H new ATOM 0 HB3 LEU A 41 -18.374 -3.848 -3.403 1.00 0.98 H new ATOM 0 HG LEU A 41 -20.194 -4.485 -1.712 1.00 1.20 H new ATOM 0 HD11 LEU A 41 -22.443 -3.591 -2.143 1.00 1.42 H new ATOM 0 HD12 LEU A 41 -21.345 -2.349 -1.496 1.00 1.42 H new ATOM 0 HD13 LEU A 41 -21.747 -2.366 -3.229 1.00 1.42 H new ATOM 0 HD21 LEU A 41 -21.609 -5.348 -3.637 1.00 1.76 H new ATOM 0 HD22 LEU A 41 -20.819 -4.173 -4.715 1.00 1.76 H new ATOM 0 HD23 LEU A 41 -19.873 -5.499 -3.997 1.00 1.76 H new ATOM 614 N ALA A 42 -19.704 -1.940 0.162 1.00 0.96 N ATOM 615 CA ALA A 42 -20.453 -1.103 1.082 1.00 1.04 C ATOM 616 C ALA A 42 -19.631 0.129 1.474 1.00 1.08 C ATOM 617 O ALA A 42 -20.177 1.214 1.655 1.00 1.22 O ATOM 618 CB ALA A 42 -20.850 -1.928 2.310 1.00 1.12 C ATOM 0 H ALA A 42 -19.620 -2.909 0.470 1.00 0.96 H new ATOM 0 HA ALA A 42 -21.362 -0.747 0.596 1.00 1.04 H new ATOM 0 HB1 ALA A 42 -21.413 -1.302 3.003 1.00 1.12 H new ATOM 0 HB2 ALA A 42 -21.468 -2.770 1.998 1.00 1.12 H new ATOM 0 HB3 ALA A 42 -19.952 -2.300 2.804 1.00 1.12 H new ATOM 624 N THR A 43 -18.315 -0.056 1.599 1.00 1.00 N ATOM 625 CA THR A 43 -17.344 0.979 1.897 1.00 1.07 C ATOM 626 C THR A 43 -16.418 1.280 0.702 1.00 1.09 C ATOM 627 O THR A 43 -15.450 2.028 0.860 1.00 1.22 O ATOM 628 CB THR A 43 -16.566 0.466 3.115 1.00 1.17 C ATOM 629 OG1 THR A 43 -16.082 -0.844 2.889 1.00 1.21 O ATOM 630 CG2 THR A 43 -17.514 0.353 4.313 1.00 1.22 C ATOM 0 H THR A 43 -17.886 -0.975 1.489 1.00 1.00 H new ATOM 0 HA THR A 43 -17.833 1.931 2.105 1.00 1.07 H new ATOM 0 HB THR A 43 -15.746 1.162 3.295 1.00 1.17 H new ATOM 0 HG1 THR A 43 -16.208 -1.081 1.947 1.00 1.21 H new ATOM 0 HG21 THR A 43 -16.963 -0.012 5.180 1.00 1.22 H new ATOM 0 HG22 THR A 43 -17.936 1.333 4.537 1.00 1.22 H new ATOM 0 HG23 THR A 43 -18.319 -0.343 4.076 1.00 1.22 H new ATOM 638 N GLU A 44 -16.684 0.680 -0.468 1.00 1.02 N ATOM 639 CA GLU A 44 -15.791 0.665 -1.628 1.00 1.02 C ATOM 640 C GLU A 44 -14.341 0.338 -1.233 1.00 0.99 C ATOM 641 O GLU A 44 -13.399 0.981 -1.697 1.00 1.17 O ATOM 642 CB GLU A 44 -15.939 1.967 -2.439 1.00 1.20 C ATOM 643 CG GLU A 44 -17.034 1.851 -3.507 1.00 1.73 C ATOM 644 CD GLU A 44 -17.079 3.099 -4.384 1.00 1.97 C ATOM 645 OE1 GLU A 44 -17.492 4.148 -3.845 1.00 1.75 O ATOM 646 OE2 GLU A 44 -16.690 2.987 -5.569 1.00 2.99 O ATOM 0 H GLU A 44 -17.555 0.177 -0.634 1.00 1.02 H new ATOM 0 HA GLU A 44 -16.091 -0.148 -2.290 1.00 1.02 H new ATOM 0 HB2 GLU A 44 -16.175 2.790 -1.765 1.00 1.20 H new ATOM 0 HB3 GLU A 44 -14.989 2.208 -2.917 1.00 1.20 H new ATOM 0 HG2 GLU A 44 -16.850 0.973 -4.127 1.00 1.73 H new ATOM 0 HG3 GLU A 44 -18.001 1.705 -3.026 1.00 1.73 H new ATOM 653 N THR A 45 -14.148 -0.677 -0.380 1.00 0.81 N ATOM 654 CA THR A 45 -12.863 -1.024 0.186 1.00 0.72 C ATOM 655 C THR A 45 -12.497 -2.440 -0.255 1.00 0.56 C ATOM 656 O THR A 45 -13.132 -3.400 0.174 1.00 0.54 O ATOM 657 CB THR A 45 -12.959 -0.856 1.707 1.00 0.85 C ATOM 658 OG1 THR A 45 -13.258 0.495 2.012 1.00 1.14 O ATOM 659 CG2 THR A 45 -11.646 -1.225 2.375 1.00 0.87 C ATOM 0 H THR A 45 -14.904 -1.285 -0.066 1.00 0.81 H new ATOM 0 HA THR A 45 -12.062 -0.374 -0.165 1.00 0.72 H new ATOM 0 HB THR A 45 -13.745 -1.515 2.077 1.00 0.85 H new ATOM 0 HG1 THR A 45 -14.093 0.753 1.569 1.00 1.14 H new ATOM 0 HG21 THR A 45 -11.738 -1.098 3.454 1.00 0.87 H new ATOM 0 HG22 THR A 45 -11.403 -2.264 2.151 1.00 0.87 H new ATOM 0 HG23 THR A 45 -10.853 -0.578 2.000 1.00 0.87 H new ATOM 667 N VAL A 46 -11.500 -2.559 -1.135 1.00 0.52 N ATOM 668 CA VAL A 46 -10.993 -3.817 -1.646 1.00 0.48 C ATOM 669 C VAL A 46 -9.980 -4.365 -0.649 1.00 0.47 C ATOM 670 O VAL A 46 -9.003 -3.693 -0.321 1.00 0.53 O ATOM 671 CB VAL A 46 -10.435 -3.641 -3.072 1.00 0.47 C ATOM 672 CG1 VAL A 46 -9.395 -2.523 -3.221 1.00 0.49 C ATOM 673 CG2 VAL A 46 -9.823 -4.950 -3.575 1.00 0.45 C ATOM 0 H VAL A 46 -11.013 -1.750 -1.519 1.00 0.52 H new ATOM 0 HA VAL A 46 -11.792 -4.552 -1.743 1.00 0.48 H new ATOM 0 HB VAL A 46 -11.297 -3.351 -3.673 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -9.060 -2.474 -4.257 1.00 0.49 H new ATOM 0 HG12 VAL A 46 -9.842 -1.570 -2.939 1.00 0.49 H new ATOM 0 HG13 VAL A 46 -8.543 -2.730 -2.573 1.00 0.49 H new ATOM 0 HG21 VAL A 46 -9.434 -4.806 -4.583 1.00 0.45 H new ATOM 0 HG22 VAL A 46 -9.011 -5.250 -2.913 1.00 0.45 H new ATOM 0 HG23 VAL A 46 -10.587 -5.727 -3.588 1.00 0.45 H new ATOM 683 N ASN A 47 -10.245 -5.579 -0.159 1.00 0.48 N ATOM 684 CA ASN A 47 -9.467 -6.250 0.864 1.00 0.53 C ATOM 685 C ASN A 47 -8.846 -7.488 0.228 1.00 0.44 C ATOM 686 O ASN A 47 -9.531 -8.494 0.035 1.00 0.43 O ATOM 687 CB ASN A 47 -10.360 -6.677 2.039 1.00 0.82 C ATOM 688 CG ASN A 47 -11.002 -5.513 2.784 1.00 1.60 C ATOM 689 OD1 ASN A 47 -10.697 -4.354 2.534 1.00 2.79 O ATOM 690 ND2 ASN A 47 -11.906 -5.809 3.714 1.00 2.14 N ATOM 0 H ASN A 47 -11.038 -6.134 -0.481 1.00 0.48 H new ATOM 0 HA ASN A 47 -8.703 -5.575 1.249 1.00 0.53 H new ATOM 0 HB2 ASN A 47 -11.146 -7.333 1.665 1.00 0.82 H new ATOM 0 HB3 ASN A 47 -9.765 -7.260 2.741 1.00 0.82 H new ATOM 0 HD21 ASN A 47 -12.362 -5.062 4.238 1.00 2.14 H new ATOM 0 HD22 ASN A 47 -12.143 -6.783 3.903 1.00 2.14 H new ATOM 697 N VAL A 48 -7.561 -7.418 -0.113 1.00 0.42 N ATOM 698 CA VAL A 48 -6.860 -8.533 -0.748 1.00 0.34 C ATOM 699 C VAL A 48 -5.921 -9.170 0.272 1.00 0.43 C ATOM 700 O VAL A 48 -5.212 -8.443 0.969 1.00 0.56 O ATOM 701 CB VAL A 48 -6.114 -8.089 -2.021 1.00 0.31 C ATOM 702 CG1 VAL A 48 -5.924 -9.302 -2.945 1.00 0.33 C ATOM 703 CG2 VAL A 48 -6.883 -7.019 -2.804 1.00 0.38 C ATOM 0 H VAL A 48 -6.980 -6.594 0.041 1.00 0.42 H new ATOM 0 HA VAL A 48 -7.588 -9.276 -1.073 1.00 0.34 H new ATOM 0 HB VAL A 48 -5.159 -7.669 -1.704 1.00 0.31 H new ATOM 0 HG11 VAL A 48 -5.397 -8.993 -3.847 1.00 0.33 H new ATOM 0 HG12 VAL A 48 -5.342 -10.065 -2.428 1.00 0.33 H new ATOM 0 HG13 VAL A 48 -6.898 -9.709 -3.216 1.00 0.33 H new ATOM 0 HG21 VAL A 48 -6.316 -6.740 -3.692 1.00 0.38 H new ATOM 0 HG22 VAL A 48 -7.854 -7.414 -3.103 1.00 0.38 H new ATOM 0 HG23 VAL A 48 -7.027 -6.141 -2.175 1.00 0.38 H new ATOM 713 N ILE A 49 -5.927 -10.505 0.366 1.00 0.43 N ATOM 714 CA ILE A 49 -5.103 -11.273 1.285 1.00 0.54 C ATOM 715 C ILE A 49 -4.242 -12.231 0.464 1.00 0.52 C ATOM 716 O ILE A 49 -4.765 -13.077 -0.267 1.00 0.47 O ATOM 717 CB ILE A 49 -5.957 -12.028 2.323 1.00 0.64 C ATOM 718 CG1 ILE A 49 -6.971 -11.106 3.025 1.00 0.83 C ATOM 719 CG2 ILE A 49 -5.032 -12.644 3.385 1.00 0.91 C ATOM 720 CD1 ILE A 49 -8.348 -11.051 2.352 1.00 1.91 C ATOM 0 H ILE A 49 -6.526 -11.091 -0.216 1.00 0.43 H new ATOM 0 HA ILE A 49 -4.464 -10.598 1.854 1.00 0.54 H new ATOM 0 HB ILE A 49 -6.515 -12.799 1.792 1.00 0.64 H new ATOM 0 HG12 ILE A 49 -7.096 -11.441 4.055 1.00 0.83 H new ATOM 0 HG13 ILE A 49 -6.559 -10.098 3.066 1.00 0.83 H new ATOM 0 HG21 ILE A 49 -5.630 -13.179 4.122 1.00 0.91 H new ATOM 0 HG22 ILE A 49 -4.340 -13.337 2.907 1.00 0.91 H new ATOM 0 HG23 ILE A 49 -4.469 -11.853 3.880 1.00 0.91 H new ATOM 0 HD11 ILE A 49 -9.000 -10.379 2.911 1.00 1.91 H new ATOM 0 HD12 ILE A 49 -8.240 -10.685 1.331 1.00 1.91 H new ATOM 0 HD13 ILE A 49 -8.785 -12.049 2.335 1.00 1.91 H new ATOM 732 N TYR A 50 -2.921 -12.086 0.540 1.00 0.61 N ATOM 733 CA TYR A 50 -2.022 -12.827 -0.329 1.00 0.65 C ATOM 734 C TYR A 50 -0.659 -12.978 0.322 1.00 0.80 C ATOM 735 O TYR A 50 -0.378 -12.302 1.317 1.00 0.87 O ATOM 736 CB TYR A 50 -1.871 -12.067 -1.654 1.00 0.65 C ATOM 737 CG TYR A 50 -1.429 -10.634 -1.493 1.00 0.72 C ATOM 738 CD1 TYR A 50 -0.066 -10.297 -1.385 1.00 1.96 C ATOM 739 CD2 TYR A 50 -2.406 -9.631 -1.448 1.00 2.02 C ATOM 740 CE1 TYR A 50 0.299 -8.968 -1.113 1.00 1.95 C ATOM 741 CE2 TYR A 50 -2.020 -8.291 -1.374 1.00 2.06 C ATOM 742 CZ TYR A 50 -0.688 -7.969 -1.089 1.00 0.87 C ATOM 743 OH TYR A 50 -0.385 -6.739 -0.595 1.00 1.10 O ATOM 0 H TYR A 50 -2.453 -11.461 1.196 1.00 0.61 H new ATOM 0 HA TYR A 50 -2.436 -13.819 -0.508 1.00 0.65 H new ATOM 0 HB2 TYR A 50 -1.149 -12.591 -2.281 1.00 0.65 H new ATOM 0 HB3 TYR A 50 -2.824 -12.085 -2.182 1.00 0.65 H new ATOM 0 HD1 TYR A 50 0.693 -11.055 -1.510 1.00 1.96 H new ATOM 0 HD2 TYR A 50 -3.453 -9.893 -1.470 1.00 2.02 H new ATOM 0 HE1 TYR A 50 1.332 -8.716 -0.924 1.00 1.95 H new ATOM 0 HE2 TYR A 50 -2.745 -7.507 -1.536 1.00 2.06 H new ATOM 0 HH TYR A 50 0.519 -6.752 -0.216 1.00 1.10 H new ATOM 753 N ASP A 51 0.199 -13.815 -0.276 1.00 0.89 N ATOM 754 CA ASP A 51 1.546 -14.011 0.243 1.00 1.06 C ATOM 755 C ASP A 51 2.487 -12.986 -0.389 1.00 1.00 C ATOM 756 O ASP A 51 2.598 -12.937 -1.619 1.00 0.95 O ATOM 757 CB ASP A 51 2.053 -15.442 0.010 1.00 1.34 C ATOM 758 CG ASP A 51 2.658 -15.968 1.304 1.00 1.91 C ATOM 759 OD1 ASP A 51 3.806 -15.570 1.585 1.00 2.39 O ATOM 760 OD2 ASP A 51 1.922 -16.675 2.030 1.00 2.81 O ATOM 0 H ASP A 51 -0.019 -14.359 -1.111 1.00 0.89 H new ATOM 0 HA ASP A 51 1.521 -13.863 1.323 1.00 1.06 H new ATOM 0 HB2 ASP A 51 1.233 -16.085 -0.311 1.00 1.34 H new ATOM 0 HB3 ASP A 51 2.798 -15.453 -0.786 1.00 1.34 H new ATOM 765 N PRO A 52 3.182 -12.148 0.395 1.00 1.06 N ATOM 766 CA PRO A 52 4.027 -11.088 -0.134 1.00 1.04 C ATOM 767 C PRO A 52 5.374 -11.629 -0.634 1.00 1.19 C ATOM 768 O PRO A 52 6.401 -10.974 -0.455 1.00 1.31 O ATOM 769 CB PRO A 52 4.182 -10.115 1.044 1.00 1.21 C ATOM 770 CG PRO A 52 4.177 -11.048 2.255 1.00 1.37 C ATOM 771 CD PRO A 52 3.163 -12.116 1.849 1.00 1.25 C ATOM 0 HA PRO A 52 3.595 -10.602 -1.009 1.00 1.04 H new ATOM 0 HB2 PRO A 52 5.108 -9.543 0.977 1.00 1.21 H new ATOM 0 HB3 PRO A 52 3.365 -9.395 1.084 1.00 1.21 H new ATOM 0 HG2 PRO A 52 5.162 -11.475 2.442 1.00 1.37 H new ATOM 0 HG3 PRO A 52 3.877 -10.529 3.165 1.00 1.37 H new ATOM 0 HD2 PRO A 52 3.430 -13.087 2.265 1.00 1.25 H new ATOM 0 HD3 PRO A 52 2.168 -11.872 2.222 1.00 1.25 H new ATOM 779 N ALA A 53 5.374 -12.798 -1.285 1.00 1.21 N ATOM 780 CA ALA A 53 6.587 -13.463 -1.763 1.00 1.37 C ATOM 781 C ALA A 53 6.307 -14.469 -2.879 1.00 1.45 C ATOM 782 O ALA A 53 7.087 -15.390 -3.103 1.00 1.84 O ATOM 783 CB ALA A 53 7.299 -14.154 -0.598 1.00 1.61 C ATOM 0 H ALA A 53 4.520 -13.314 -1.496 1.00 1.21 H new ATOM 0 HA ALA A 53 7.231 -12.691 -2.184 1.00 1.37 H new ATOM 0 HB1 ALA A 53 8.200 -14.646 -0.963 1.00 1.61 H new ATOM 0 HB2 ALA A 53 7.569 -13.413 0.154 1.00 1.61 H new ATOM 0 HB3 ALA A 53 6.635 -14.896 -0.154 1.00 1.61 H new ATOM 789 N GLU A 54 5.216 -14.241 -3.605 1.00 1.24 N ATOM 790 CA GLU A 54 4.856 -14.971 -4.808 1.00 1.30 C ATOM 791 C GLU A 54 4.362 -13.988 -5.866 1.00 1.19 C ATOM 792 O GLU A 54 4.761 -14.064 -7.025 1.00 1.39 O ATOM 793 CB GLU A 54 3.759 -16.002 -4.518 1.00 1.28 C ATOM 794 CG GLU A 54 4.258 -17.199 -3.705 1.00 1.38 C ATOM 795 CD GLU A 54 3.273 -18.351 -3.839 1.00 1.38 C ATOM 796 OE1 GLU A 54 2.240 -18.294 -3.142 1.00 2.43 O ATOM 797 OE2 GLU A 54 3.546 -19.232 -4.683 1.00 1.79 O ATOM 0 H GLU A 54 4.539 -13.519 -3.361 1.00 1.24 H new ATOM 0 HA GLU A 54 5.738 -15.500 -5.169 1.00 1.30 H new ATOM 0 HB2 GLU A 54 2.947 -15.517 -3.977 1.00 1.28 H new ATOM 0 HB3 GLU A 54 3.345 -16.358 -5.461 1.00 1.28 H new ATOM 0 HG2 GLU A 54 5.243 -17.506 -4.057 1.00 1.38 H new ATOM 0 HG3 GLU A 54 4.367 -16.920 -2.657 1.00 1.38 H new ATOM 804 N THR A 55 3.463 -13.083 -5.467 1.00 0.96 N ATOM 805 CA THR A 55 2.723 -12.237 -6.382 1.00 0.89 C ATOM 806 C THR A 55 3.256 -10.800 -6.306 1.00 0.86 C ATOM 807 O THR A 55 3.992 -10.382 -7.197 1.00 0.94 O ATOM 808 CB THR A 55 1.234 -12.435 -6.070 1.00 0.67 C ATOM 809 OG1 THR A 55 0.846 -13.735 -6.482 1.00 0.74 O ATOM 810 CG2 THR A 55 0.357 -11.402 -6.756 1.00 0.72 C ATOM 0 H THR A 55 3.233 -12.923 -4.486 1.00 0.96 H new ATOM 0 HA THR A 55 2.857 -12.502 -7.431 1.00 0.89 H new ATOM 0 HB THR A 55 1.098 -12.313 -4.995 1.00 0.67 H new ATOM 0 HG1 THR A 55 0.996 -13.831 -7.446 1.00 0.74 H new ATOM 0 HG21 THR A 55 -0.687 -11.586 -6.503 1.00 0.72 H new ATOM 0 HG22 THR A 55 0.641 -10.404 -6.422 1.00 0.72 H new ATOM 0 HG23 THR A 55 0.487 -11.474 -7.836 1.00 0.72 H new ATOM 818 N GLY A 56 2.915 -10.041 -5.257 1.00 0.76 N ATOM 819 CA GLY A 56 3.433 -8.699 -5.040 1.00 0.71 C ATOM 820 C GLY A 56 2.289 -7.697 -4.927 1.00 0.77 C ATOM 821 O GLY A 56 1.485 -7.557 -5.849 1.00 0.80 O ATOM 0 H GLY A 56 2.266 -10.350 -4.533 1.00 0.76 H new ATOM 0 HA2 GLY A 56 4.034 -8.677 -4.131 1.00 0.71 H new ATOM 0 HA3 GLY A 56 4.090 -8.419 -5.863 1.00 0.71 H new ATOM 825 N THR A 57 2.238 -6.974 -3.803 1.00 0.81 N ATOM 826 CA THR A 57 1.252 -5.920 -3.564 1.00 0.87 C ATOM 827 C THR A 57 1.169 -4.965 -4.762 1.00 0.93 C ATOM 828 O THR A 57 0.081 -4.603 -5.201 1.00 0.91 O ATOM 829 CB THR A 57 1.529 -5.205 -2.225 1.00 1.01 C ATOM 830 OG1 THR A 57 0.371 -4.521 -1.784 1.00 1.31 O ATOM 831 CG2 THR A 57 2.705 -4.231 -2.235 1.00 1.10 C ATOM 0 H THR A 57 2.887 -7.107 -3.028 1.00 0.81 H new ATOM 0 HA THR A 57 0.264 -6.371 -3.470 1.00 0.87 H new ATOM 0 HB THR A 57 1.806 -6.006 -1.540 1.00 1.01 H new ATOM 0 HG1 THR A 57 -0.276 -5.167 -1.431 1.00 1.31 H new ATOM 0 HG21 THR A 57 2.814 -3.783 -1.248 1.00 1.10 H new ATOM 0 HG22 THR A 57 3.619 -4.766 -2.494 1.00 1.10 H new ATOM 0 HG23 THR A 57 2.523 -3.448 -2.971 1.00 1.10 H new ATOM 839 N ALA A 58 2.329 -4.608 -5.322 1.00 1.04 N ATOM 840 CA ALA A 58 2.415 -3.753 -6.493 1.00 1.13 C ATOM 841 C ALA A 58 1.700 -4.385 -7.689 1.00 1.07 C ATOM 842 O ALA A 58 0.980 -3.701 -8.409 1.00 1.09 O ATOM 843 CB ALA A 58 3.884 -3.476 -6.821 1.00 1.28 C ATOM 0 H ALA A 58 3.236 -4.910 -4.967 1.00 1.04 H new ATOM 0 HA ALA A 58 1.916 -2.809 -6.275 1.00 1.13 H new ATOM 0 HB1 ALA A 58 3.946 -2.834 -7.700 1.00 1.28 H new ATOM 0 HB2 ALA A 58 4.358 -2.979 -5.975 1.00 1.28 H new ATOM 0 HB3 ALA A 58 4.396 -4.417 -7.022 1.00 1.28 H new ATOM 849 N ALA A 59 1.868 -5.689 -7.922 1.00 1.00 N ATOM 850 CA ALA A 59 1.219 -6.319 -9.062 1.00 0.98 C ATOM 851 C ALA A 59 -0.285 -6.395 -8.831 1.00 0.84 C ATOM 852 O ALA A 59 -1.078 -6.213 -9.751 1.00 0.92 O ATOM 853 CB ALA A 59 1.782 -7.714 -9.286 1.00 0.97 C ATOM 0 H ALA A 59 2.435 -6.313 -7.348 1.00 1.00 H new ATOM 0 HA ALA A 59 1.412 -5.717 -9.950 1.00 0.98 H new ATOM 0 HB1 ALA A 59 1.287 -8.173 -10.142 1.00 0.97 H new ATOM 0 HB2 ALA A 59 2.853 -7.648 -9.479 1.00 0.97 H new ATOM 0 HB3 ALA A 59 1.610 -8.323 -8.398 1.00 0.97 H new ATOM 859 N ILE A 60 -0.680 -6.681 -7.593 1.00 0.70 N ATOM 860 CA ILE A 60 -2.081 -6.721 -7.216 1.00 0.63 C ATOM 861 C ILE A 60 -2.715 -5.356 -7.486 1.00 0.72 C ATOM 862 O ILE A 60 -3.695 -5.265 -8.227 1.00 0.71 O ATOM 863 CB ILE A 60 -2.199 -7.240 -5.778 1.00 0.80 C ATOM 864 CG1 ILE A 60 -1.922 -8.751 -5.887 1.00 1.25 C ATOM 865 CG2 ILE A 60 -3.522 -6.898 -5.078 1.00 0.67 C ATOM 866 CD1 ILE A 60 -1.885 -9.452 -4.544 1.00 0.99 C ATOM 0 H ILE A 60 -0.037 -6.890 -6.829 1.00 0.70 H new ATOM 0 HA ILE A 60 -2.653 -7.424 -7.822 1.00 0.63 H new ATOM 0 HB ILE A 60 -1.483 -6.743 -5.124 1.00 0.80 H new ATOM 0 HG12 ILE A 60 -2.691 -9.210 -6.508 1.00 1.25 H new ATOM 0 HG13 ILE A 60 -0.970 -8.903 -6.395 1.00 1.25 H new ATOM 0 HG21 ILE A 60 -3.515 -7.305 -4.067 1.00 0.67 H new ATOM 0 HG22 ILE A 60 -3.640 -5.815 -5.032 1.00 0.67 H new ATOM 0 HG23 ILE A 60 -4.352 -7.330 -5.637 1.00 0.67 H new ATOM 0 HD11 ILE A 60 -1.686 -10.513 -4.693 1.00 0.99 H new ATOM 0 HD12 ILE A 60 -1.097 -9.018 -3.928 1.00 0.99 H new ATOM 0 HD13 ILE A 60 -2.845 -9.330 -4.043 1.00 0.99 H new ATOM 878 N GLN A 61 -2.126 -4.284 -6.950 1.00 0.88 N ATOM 879 CA GLN A 61 -2.640 -2.949 -7.208 1.00 1.02 C ATOM 880 C GLN A 61 -2.599 -2.634 -8.713 1.00 1.09 C ATOM 881 O GLN A 61 -3.569 -2.098 -9.247 1.00 1.14 O ATOM 882 CB GLN A 61 -2.021 -1.911 -6.250 1.00 1.27 C ATOM 883 CG GLN A 61 -0.694 -1.262 -6.665 1.00 1.56 C ATOM 884 CD GLN A 61 -0.815 -0.280 -7.817 1.00 0.88 C ATOM 885 OE1 GLN A 61 -0.081 -0.377 -8.794 1.00 2.00 O ATOM 886 NE2 GLN A 61 -1.746 0.651 -7.709 1.00 1.22 N ATOM 0 H GLN A 61 -1.306 -4.318 -6.345 1.00 0.88 H new ATOM 0 HA GLN A 61 -3.701 -2.894 -6.964 1.00 1.02 H new ATOM 0 HB2 GLN A 61 -2.751 -1.116 -6.100 1.00 1.27 H new ATOM 0 HB3 GLN A 61 -1.871 -2.393 -5.284 1.00 1.27 H new ATOM 0 HG2 GLN A 61 -0.271 -0.745 -5.804 1.00 1.56 H new ATOM 0 HG3 GLN A 61 0.010 -2.046 -6.943 1.00 1.56 H new ATOM 0 HE21 GLN A 61 -2.333 0.691 -6.876 1.00 1.22 H new ATOM 0 HE22 GLN A 61 -1.878 1.330 -8.459 1.00 1.22 H new ATOM 895 N GLU A 62 -1.540 -3.059 -9.423 1.00 1.11 N ATOM 896 CA GLU A 62 -1.472 -2.887 -10.871 1.00 1.24 C ATOM 897 C GLU A 62 -2.689 -3.551 -11.523 1.00 1.16 C ATOM 898 O GLU A 62 -3.241 -3.037 -12.493 1.00 1.24 O ATOM 899 CB GLU A 62 -0.164 -3.483 -11.425 1.00 1.30 C ATOM 900 CG GLU A 62 0.065 -3.177 -12.916 1.00 1.60 C ATOM 901 CD GLU A 62 0.767 -4.312 -13.649 1.00 1.51 C ATOM 902 OE1 GLU A 62 0.198 -5.427 -13.653 1.00 1.95 O ATOM 903 OE2 GLU A 62 1.808 -4.052 -14.283 1.00 2.51 O ATOM 0 H GLU A 62 -0.727 -3.521 -9.014 1.00 1.11 H new ATOM 0 HA GLU A 62 -1.481 -1.823 -11.106 1.00 1.24 H new ATOM 0 HB2 GLU A 62 0.676 -3.095 -10.849 1.00 1.30 H new ATOM 0 HB3 GLU A 62 -0.176 -4.563 -11.281 1.00 1.30 H new ATOM 0 HG2 GLU A 62 -0.895 -2.981 -13.394 1.00 1.60 H new ATOM 0 HG3 GLU A 62 0.659 -2.268 -13.009 1.00 1.60 H new ATOM 910 N LYS A 63 -3.115 -4.709 -11.008 1.00 1.04 N ATOM 911 CA LYS A 63 -4.186 -5.467 -11.601 1.00 1.00 C ATOM 912 C LYS A 63 -5.507 -4.721 -11.446 1.00 0.89 C ATOM 913 O LYS A 63 -6.288 -4.693 -12.389 1.00 0.89 O ATOM 914 CB LYS A 63 -4.214 -6.885 -11.011 1.00 0.94 C ATOM 915 CG LYS A 63 -4.391 -7.956 -12.093 1.00 1.18 C ATOM 916 CD LYS A 63 -3.048 -8.469 -12.645 1.00 2.10 C ATOM 917 CE LYS A 63 -2.152 -7.339 -13.176 1.00 2.65 C ATOM 918 NZ LYS A 63 -0.829 -7.806 -13.627 1.00 3.98 N ATOM 0 H LYS A 63 -2.718 -5.134 -10.170 1.00 1.04 H new ATOM 0 HA LYS A 63 -4.018 -5.577 -12.672 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -3.288 -7.069 -10.467 1.00 0.94 H new ATOM 0 HB3 LYS A 63 -5.028 -6.961 -10.290 1.00 0.94 H new ATOM 0 HG2 LYS A 63 -4.954 -8.794 -11.681 1.00 1.18 H new ATOM 0 HG3 LYS A 63 -4.983 -7.546 -12.911 1.00 1.18 H new ATOM 0 HD2 LYS A 63 -2.519 -9.007 -11.858 1.00 2.10 H new ATOM 0 HD3 LYS A 63 -3.239 -9.183 -13.447 1.00 2.10 H new ATOM 0 HE2 LYS A 63 -2.657 -6.844 -14.006 1.00 2.65 H new ATOM 0 HE3 LYS A 63 -2.018 -6.592 -12.393 1.00 2.65 H new ATOM 0 HZ1 LYS A 63 -0.135 -7.038 -13.521 1.00 3.98 H new ATOM 0 HZ2 LYS A 63 -0.534 -8.621 -13.052 1.00 3.98 H new ATOM 0 HZ3 LYS A 63 -0.883 -8.089 -14.626 1.00 3.98 H new ATOM 932 N ILE A 64 -5.748 -4.086 -10.296 1.00 0.82 N ATOM 933 CA ILE A 64 -6.914 -3.229 -10.127 1.00 0.73 C ATOM 934 C ILE A 64 -6.929 -2.180 -11.243 1.00 0.78 C ATOM 935 O ILE A 64 -7.945 -2.001 -11.916 1.00 0.76 O ATOM 936 CB ILE A 64 -6.920 -2.583 -8.726 1.00 0.65 C ATOM 937 CG1 ILE A 64 -6.919 -3.661 -7.625 1.00 0.71 C ATOM 938 CG2 ILE A 64 -8.144 -1.670 -8.582 1.00 0.55 C ATOM 939 CD1 ILE A 64 -6.729 -3.070 -6.225 1.00 0.81 C ATOM 0 H ILE A 64 -5.150 -4.152 -9.472 1.00 0.82 H new ATOM 0 HA ILE A 64 -7.824 -3.825 -10.200 1.00 0.73 H new ATOM 0 HB ILE A 64 -6.015 -1.986 -8.612 1.00 0.65 H new ATOM 0 HG12 ILE A 64 -7.859 -4.211 -7.659 1.00 0.71 H new ATOM 0 HG13 ILE A 64 -6.123 -4.378 -7.824 1.00 0.71 H new ATOM 0 HG21 ILE A 64 -8.145 -1.216 -7.591 1.00 0.55 H new ATOM 0 HG22 ILE A 64 -8.105 -0.888 -9.340 1.00 0.55 H new ATOM 0 HG23 ILE A 64 -9.053 -2.257 -8.712 1.00 0.55 H new ATOM 0 HD11 ILE A 64 -6.736 -3.872 -5.487 1.00 0.81 H new ATOM 0 HD12 ILE A 64 -5.776 -2.543 -6.179 1.00 0.81 H new ATOM 0 HD13 ILE A 64 -7.540 -2.373 -6.011 1.00 0.81 H new ATOM 951 N GLU A 65 -5.796 -1.510 -11.468 1.00 0.86 N ATOM 952 CA GLU A 65 -5.734 -0.475 -12.488 1.00 0.93 C ATOM 953 C GLU A 65 -5.964 -1.057 -13.888 1.00 1.01 C ATOM 954 O GLU A 65 -6.840 -0.596 -14.617 1.00 0.98 O ATOM 955 CB GLU A 65 -4.435 0.329 -12.362 1.00 1.08 C ATOM 956 CG GLU A 65 -4.360 1.007 -10.982 1.00 1.06 C ATOM 957 CD GLU A 65 -3.220 2.013 -10.890 1.00 1.39 C ATOM 958 OE1 GLU A 65 -2.994 2.718 -11.896 1.00 1.63 O ATOM 959 OE2 GLU A 65 -2.604 2.067 -9.806 1.00 3.12 O ATOM 0 H GLU A 65 -4.924 -1.666 -10.963 1.00 0.86 H new ATOM 0 HA GLU A 65 -6.549 0.230 -12.327 1.00 0.93 H new ATOM 0 HB2 GLU A 65 -3.577 -0.329 -12.499 1.00 1.08 H new ATOM 0 HB3 GLU A 65 -4.388 1.082 -13.148 1.00 1.08 H new ATOM 0 HG2 GLU A 65 -5.304 1.512 -10.777 1.00 1.06 H new ATOM 0 HG3 GLU A 65 -4.232 0.246 -10.213 1.00 1.06 H new ATOM 966 N LYS A 66 -5.223 -2.107 -14.251 1.00 1.15 N ATOM 967 CA LYS A 66 -5.369 -2.803 -15.526 1.00 1.28 C ATOM 968 C LYS A 66 -6.792 -3.328 -15.748 1.00 1.21 C ATOM 969 O LYS A 66 -7.254 -3.368 -16.886 1.00 1.30 O ATOM 970 CB LYS A 66 -4.345 -3.934 -15.641 1.00 1.43 C ATOM 971 CG LYS A 66 -2.997 -3.387 -16.125 1.00 1.60 C ATOM 972 CD LYS A 66 -1.958 -4.502 -16.005 1.00 1.73 C ATOM 973 CE LYS A 66 -0.593 -4.146 -16.618 1.00 2.16 C ATOM 974 NZ LYS A 66 -0.575 -4.281 -18.089 1.00 2.34 N ATOM 0 H LYS A 66 -4.494 -2.501 -13.656 1.00 1.15 H new ATOM 0 HA LYS A 66 -5.177 -2.074 -16.313 1.00 1.28 H new ATOM 0 HB2 LYS A 66 -4.221 -4.421 -14.674 1.00 1.43 H new ATOM 0 HB3 LYS A 66 -4.707 -4.692 -16.335 1.00 1.43 H new ATOM 0 HG2 LYS A 66 -3.073 -3.048 -17.158 1.00 1.60 H new ATOM 0 HG3 LYS A 66 -2.700 -2.525 -15.528 1.00 1.60 H new ATOM 0 HD2 LYS A 66 -1.820 -4.746 -14.952 1.00 1.73 H new ATOM 0 HD3 LYS A 66 -2.342 -5.398 -16.492 1.00 1.73 H new ATOM 0 HE2 LYS A 66 -0.334 -3.122 -16.348 1.00 2.16 H new ATOM 0 HE3 LYS A 66 0.173 -4.792 -16.189 1.00 2.16 H new ATOM 0 HZ1 LYS A 66 0.368 -4.029 -18.449 1.00 2.34 H new ATOM 0 HZ2 LYS A 66 -0.794 -5.263 -18.350 1.00 2.34 H new ATOM 0 HZ3 LYS A 66 -1.286 -3.645 -18.505 1.00 2.34 H new ATOM 988 N LEU A 67 -7.497 -3.726 -14.684 1.00 1.09 N ATOM 989 CA LEU A 67 -8.889 -4.146 -14.767 1.00 1.06 C ATOM 990 C LEU A 67 -9.815 -2.988 -15.167 1.00 0.98 C ATOM 991 O LEU A 67 -10.969 -3.236 -15.506 1.00 1.04 O ATOM 992 CB LEU A 67 -9.293 -4.806 -13.436 1.00 1.00 C ATOM 993 CG LEU A 67 -9.065 -6.327 -13.327 1.00 1.25 C ATOM 994 CD1 LEU A 67 -10.364 -7.073 -13.652 1.00 1.32 C ATOM 995 CD2 LEU A 67 -7.933 -6.904 -14.189 1.00 3.08 C ATOM 0 H LEU A 67 -7.112 -3.764 -13.740 1.00 1.09 H new ATOM 0 HA LEU A 67 -8.998 -4.884 -15.562 1.00 1.06 H new ATOM 0 HB2 LEU A 67 -8.741 -4.319 -12.632 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -10.350 -4.606 -13.263 1.00 1.00 H new ATOM 0 HG LEU A 67 -8.749 -6.479 -12.295 1.00 1.25 H new ATOM 0 HD11 LEU A 67 -10.196 -8.147 -13.573 1.00 1.32 H new ATOM 0 HD12 LEU A 67 -11.141 -6.775 -12.948 1.00 1.32 H new ATOM 0 HD13 LEU A 67 -10.680 -6.829 -14.666 1.00 1.32 H new ATOM 0 HD21 LEU A 67 -7.867 -7.980 -14.030 1.00 3.08 H new ATOM 0 HD22 LEU A 67 -8.139 -6.705 -15.241 1.00 3.08 H new ATOM 0 HD23 LEU A 67 -6.989 -6.437 -13.909 1.00 3.08 H new ATOM 1007 N GLY A 68 -9.323 -1.745 -15.165 1.00 0.89 N ATOM 1008 CA GLY A 68 -10.056 -0.580 -15.638 1.00 0.83 C ATOM 1009 C GLY A 68 -10.738 0.126 -14.473 1.00 0.68 C ATOM 1010 O GLY A 68 -11.893 0.533 -14.577 1.00 0.71 O ATOM 0 H GLY A 68 -8.387 -1.523 -14.827 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -9.375 0.107 -16.140 1.00 0.83 H new ATOM 0 HA3 GLY A 68 -10.801 -0.885 -16.373 1.00 0.83 H new ATOM 1014 N TYR A 69 -10.011 0.266 -13.364 1.00 0.63 N ATOM 1015 CA TYR A 69 -10.457 0.951 -12.155 1.00 0.54 C ATOM 1016 C TYR A 69 -9.357 1.907 -11.699 1.00 0.51 C ATOM 1017 O TYR A 69 -8.289 1.944 -12.302 1.00 0.59 O ATOM 1018 CB TYR A 69 -10.798 -0.086 -11.078 1.00 0.53 C ATOM 1019 CG TYR A 69 -11.893 -1.047 -11.491 1.00 0.63 C ATOM 1020 CD1 TYR A 69 -11.572 -2.183 -12.256 1.00 2.12 C ATOM 1021 CD2 TYR A 69 -13.238 -0.769 -11.187 1.00 1.69 C ATOM 1022 CE1 TYR A 69 -12.593 -3.016 -12.743 1.00 2.27 C ATOM 1023 CE2 TYR A 69 -14.257 -1.612 -11.665 1.00 1.71 C ATOM 1024 CZ TYR A 69 -13.931 -2.727 -12.452 1.00 1.07 C ATOM 1025 OH TYR A 69 -14.909 -3.544 -12.934 1.00 1.33 O ATOM 0 H TYR A 69 -9.065 -0.107 -13.282 1.00 0.63 H new ATOM 0 HA TYR A 69 -11.358 1.533 -12.348 1.00 0.54 H new ATOM 0 HB2 TYR A 69 -9.900 -0.654 -10.834 1.00 0.53 H new ATOM 0 HB3 TYR A 69 -11.104 0.432 -10.169 1.00 0.53 H new ATOM 0 HD1 TYR A 69 -10.539 -2.415 -12.469 1.00 2.12 H new ATOM 0 HD2 TYR A 69 -13.488 0.093 -10.586 1.00 1.69 H new ATOM 0 HE1 TYR A 69 -12.345 -3.880 -13.342 1.00 2.27 H new ATOM 0 HE2 TYR A 69 -15.289 -1.402 -11.427 1.00 1.71 H new ATOM 0 HH TYR A 69 -15.781 -3.109 -12.828 1.00 1.33 H new ATOM 1035 N HIS A 70 -9.614 2.683 -10.644 1.00 0.46 N ATOM 1036 CA HIS A 70 -8.624 3.530 -9.989 1.00 0.46 C ATOM 1037 C HIS A 70 -8.792 3.342 -8.483 1.00 0.42 C ATOM 1038 O HIS A 70 -9.858 2.921 -8.032 1.00 0.44 O ATOM 1039 CB HIS A 70 -8.824 5.007 -10.382 1.00 0.53 C ATOM 1040 CG HIS A 70 -7.904 5.577 -11.442 1.00 0.71 C ATOM 1041 ND1 HIS A 70 -7.818 6.918 -11.751 1.00 2.26 N ATOM 1042 CD2 HIS A 70 -6.960 4.928 -12.199 1.00 1.53 C ATOM 1043 CE1 HIS A 70 -6.855 7.068 -12.676 1.00 1.94 C ATOM 1044 NE2 HIS A 70 -6.306 5.885 -12.983 1.00 1.27 N ATOM 0 H HIS A 70 -10.537 2.739 -10.214 1.00 0.46 H new ATOM 0 HA HIS A 70 -7.617 3.251 -10.298 1.00 0.46 H new ATOM 0 HB2 HIS A 70 -9.851 5.128 -10.727 1.00 0.53 H new ATOM 0 HB3 HIS A 70 -8.717 5.613 -9.482 1.00 0.53 H new ATOM 0 HD2 HIS A 70 -6.758 3.867 -12.191 1.00 1.53 H new ATOM 0 HE1 HIS A 70 -6.564 8.012 -13.112 1.00 1.94 H new ATOM 0 HE2 HIS A 70 -5.558 5.715 -13.656 1.00 1.27 H new ATOM 1052 N VAL A 71 -7.738 3.640 -7.721 1.00 0.72 N ATOM 1053 CA VAL A 71 -7.690 3.498 -6.279 1.00 0.76 C ATOM 1054 C VAL A 71 -7.648 4.877 -5.622 1.00 0.80 C ATOM 1055 O VAL A 71 -7.060 5.811 -6.167 1.00 0.87 O ATOM 1056 CB VAL A 71 -6.510 2.597 -5.887 1.00 0.81 C ATOM 1057 CG1 VAL A 71 -6.787 1.147 -6.304 1.00 0.88 C ATOM 1058 CG2 VAL A 71 -5.168 3.058 -6.472 1.00 0.79 C ATOM 0 H VAL A 71 -6.867 3.999 -8.113 1.00 0.72 H new ATOM 0 HA VAL A 71 -8.593 3.009 -5.913 1.00 0.76 H new ATOM 0 HB VAL A 71 -6.421 2.666 -4.803 1.00 0.81 H new ATOM 0 HG11 VAL A 71 -5.942 0.519 -6.020 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -7.688 0.791 -5.805 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -6.928 1.099 -7.384 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -4.379 2.376 -6.155 1.00 0.79 H new ATOM 0 HG22 VAL A 71 -5.228 3.062 -7.560 1.00 0.79 H new ATOM 0 HG23 VAL A 71 -4.943 4.064 -6.117 1.00 0.79 H new ATOM 1068 N VAL A 72 -8.299 5.022 -4.466 1.00 0.80 N ATOM 1069 CA VAL A 72 -8.364 6.276 -3.740 1.00 0.87 C ATOM 1070 C VAL A 72 -7.165 6.249 -2.808 1.00 0.98 C ATOM 1071 O VAL A 72 -7.248 5.805 -1.662 1.00 1.20 O ATOM 1072 CB VAL A 72 -9.708 6.397 -3.010 1.00 0.93 C ATOM 1073 CG1 VAL A 72 -9.813 7.721 -2.249 1.00 1.00 C ATOM 1074 CG2 VAL A 72 -10.867 6.309 -4.007 1.00 0.92 C ATOM 0 H VAL A 72 -8.799 4.259 -4.009 1.00 0.80 H new ATOM 0 HA VAL A 72 -8.318 7.154 -4.384 1.00 0.87 H new ATOM 0 HB VAL A 72 -9.765 5.573 -2.298 1.00 0.93 H new ATOM 0 HG11 VAL A 72 -10.777 7.774 -1.743 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -9.013 7.781 -1.512 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -9.724 8.551 -2.950 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -11.813 6.396 -3.473 1.00 0.92 H new ATOM 0 HG22 VAL A 72 -10.784 7.117 -4.734 1.00 0.92 H new ATOM 0 HG23 VAL A 72 -10.830 5.350 -4.525 1.00 0.92 H new ATOM 1084 N THR A 73 -6.007 6.604 -3.354 1.00 1.11 N ATOM 1085 CA THR A 73 -4.746 6.482 -2.658 1.00 1.20 C ATOM 1086 C THR A 73 -3.809 7.540 -3.226 1.00 1.17 C ATOM 1087 O THR A 73 -3.746 7.698 -4.444 1.00 1.09 O ATOM 1088 CB THR A 73 -4.192 5.053 -2.824 1.00 1.29 C ATOM 1089 OG1 THR A 73 -5.191 4.120 -3.180 1.00 1.17 O ATOM 1090 CG2 THR A 73 -3.646 4.605 -1.479 1.00 1.74 C ATOM 0 H THR A 73 -5.924 6.985 -4.296 1.00 1.11 H new ATOM 0 HA THR A 73 -4.860 6.647 -1.587 1.00 1.20 H new ATOM 0 HB THR A 73 -3.440 5.083 -3.612 1.00 1.29 H new ATOM 0 HG1 THR A 73 -4.790 3.231 -3.275 1.00 1.17 H new ATOM 0 HG21 THR A 73 -3.246 3.595 -1.567 1.00 1.74 H new ATOM 0 HG22 THR A 73 -2.853 5.283 -1.164 1.00 1.74 H new ATOM 0 HG23 THR A 73 -4.447 4.616 -0.739 1.00 1.74 H new ATOM 1098 N GLU A 74 -3.126 8.287 -2.353 1.00 1.28 N ATOM 1099 CA GLU A 74 -2.307 9.420 -2.751 1.00 1.26 C ATOM 1100 C GLU A 74 -0.847 9.104 -2.459 1.00 1.12 C ATOM 1101 O GLU A 74 -0.521 8.647 -1.364 1.00 1.14 O ATOM 1102 CB GLU A 74 -2.758 10.680 -2.008 1.00 1.33 C ATOM 1103 CG GLU A 74 -4.191 11.063 -2.394 1.00 1.82 C ATOM 1104 CD GLU A 74 -4.571 12.405 -1.787 1.00 3.06 C ATOM 1105 OE1 GLU A 74 -5.041 12.388 -0.630 1.00 4.49 O ATOM 1106 OE2 GLU A 74 -4.362 13.420 -2.486 1.00 3.42 O ATOM 0 H GLU A 74 -3.130 8.116 -1.347 1.00 1.28 H new ATOM 0 HA GLU A 74 -2.421 9.604 -3.819 1.00 1.26 H new ATOM 0 HB2 GLU A 74 -2.700 10.513 -0.933 1.00 1.33 H new ATOM 0 HB3 GLU A 74 -2.083 11.504 -2.239 1.00 1.33 H new ATOM 0 HG2 GLU A 74 -4.280 11.111 -3.479 1.00 1.82 H new ATOM 0 HG3 GLU A 74 -4.883 10.294 -2.051 1.00 1.82 H new ATOM 1113 N LYS A 75 0.020 9.372 -3.436 1.00 1.05 N ATOM 1114 CA LYS A 75 1.451 9.167 -3.312 1.00 1.02 C ATOM 1115 C LYS A 75 2.037 10.369 -2.575 1.00 0.93 C ATOM 1116 O LYS A 75 2.440 11.358 -3.184 1.00 0.95 O ATOM 1117 CB LYS A 75 2.065 8.883 -4.695 1.00 1.11 C ATOM 1118 CG LYS A 75 2.042 10.073 -5.656 1.00 1.13 C ATOM 1119 CD LYS A 75 2.073 9.583 -7.109 1.00 1.43 C ATOM 1120 CE LYS A 75 2.095 10.760 -8.093 1.00 2.07 C ATOM 1121 NZ LYS A 75 3.306 11.594 -7.937 1.00 2.75 N ATOM 0 H LYS A 75 -0.262 9.742 -4.344 1.00 1.05 H new ATOM 0 HA LYS A 75 1.692 8.285 -2.718 1.00 1.02 H new ATOM 0 HB2 LYS A 75 3.098 8.561 -4.561 1.00 1.11 H new ATOM 0 HB3 LYS A 75 1.529 8.052 -5.153 1.00 1.11 H new ATOM 0 HG2 LYS A 75 1.146 10.670 -5.485 1.00 1.13 H new ATOM 0 HG3 LYS A 75 2.898 10.720 -5.465 1.00 1.13 H new ATOM 0 HD2 LYS A 75 2.952 8.958 -7.266 1.00 1.43 H new ATOM 0 HD3 LYS A 75 1.200 8.960 -7.304 1.00 1.43 H new ATOM 0 HE2 LYS A 75 2.046 10.380 -9.113 1.00 2.07 H new ATOM 0 HE3 LYS A 75 1.209 11.376 -7.940 1.00 2.07 H new ATOM 0 HZ1 LYS A 75 3.392 12.236 -8.750 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 3.233 12.151 -7.062 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 4.145 10.982 -7.889 1.00 2.75 H new ATOM 1135 N ALA A 76 2.038 10.297 -1.246 1.00 0.92 N ATOM 1136 CA ALA A 76 2.623 11.359 -0.433 1.00 0.85 C ATOM 1137 C ALA A 76 4.131 11.124 -0.355 1.00 0.76 C ATOM 1138 O ALA A 76 4.571 9.988 -0.517 1.00 0.81 O ATOM 1139 CB ALA A 76 1.977 11.371 0.954 1.00 0.87 C ATOM 0 H ALA A 76 1.644 9.521 -0.713 1.00 0.92 H new ATOM 0 HA ALA A 76 2.440 12.336 -0.881 1.00 0.85 H new ATOM 0 HB1 ALA A 76 2.419 12.166 1.554 1.00 0.87 H new ATOM 0 HB2 ALA A 76 0.905 11.544 0.855 1.00 0.87 H new ATOM 0 HB3 ALA A 76 2.146 10.411 1.442 1.00 0.87 H new ATOM 1145 N GLU A 77 4.928 12.171 -0.128 1.00 0.78 N ATOM 1146 CA GLU A 77 6.375 12.056 -0.022 1.00 0.75 C ATOM 1147 C GLU A 77 6.831 12.697 1.281 1.00 0.51 C ATOM 1148 O GLU A 77 6.437 13.823 1.585 1.00 0.53 O ATOM 1149 CB GLU A 77 7.060 12.686 -1.241 1.00 0.95 C ATOM 1150 CG GLU A 77 6.637 11.987 -2.540 1.00 1.46 C ATOM 1151 CD GLU A 77 7.458 12.425 -3.748 1.00 2.00 C ATOM 1152 OE1 GLU A 77 8.411 13.210 -3.550 1.00 2.06 O ATOM 1153 OE2 GLU A 77 7.117 11.940 -4.850 1.00 3.22 O ATOM 0 H GLU A 77 4.582 13.123 -0.013 1.00 0.78 H new ATOM 0 HA GLU A 77 6.661 11.004 -0.009 1.00 0.75 H new ATOM 0 HB2 GLU A 77 6.807 13.745 -1.296 1.00 0.95 H new ATOM 0 HB3 GLU A 77 8.142 12.622 -1.127 1.00 0.95 H new ATOM 0 HG2 GLU A 77 6.734 10.909 -2.414 1.00 1.46 H new ATOM 0 HG3 GLU A 77 5.584 12.192 -2.730 1.00 1.46 H new ATOM 1160 N PHE A 78 7.651 11.978 2.050 1.00 0.44 N ATOM 1161 CA PHE A 78 8.129 12.381 3.363 1.00 0.37 C ATOM 1162 C PHE A 78 9.655 12.267 3.394 1.00 0.39 C ATOM 1163 O PHE A 78 10.229 11.354 2.809 1.00 0.68 O ATOM 1164 CB PHE A 78 7.452 11.514 4.438 1.00 0.52 C ATOM 1165 CG PHE A 78 5.933 11.620 4.528 1.00 0.41 C ATOM 1166 CD1 PHE A 78 5.259 12.805 4.172 1.00 1.78 C ATOM 1167 CD2 PHE A 78 5.178 10.528 4.997 1.00 1.63 C ATOM 1168 CE1 PHE A 78 3.860 12.853 4.125 1.00 1.88 C ATOM 1169 CE2 PHE A 78 3.772 10.597 5.005 1.00 1.66 C ATOM 1170 CZ PHE A 78 3.115 11.729 4.497 1.00 0.82 C ATOM 0 H PHE A 78 8.010 11.068 1.760 1.00 0.44 H new ATOM 0 HA PHE A 78 7.870 13.419 3.571 1.00 0.37 H new ATOM 0 HB2 PHE A 78 7.713 10.472 4.252 1.00 0.52 H new ATOM 0 HB3 PHE A 78 7.872 11.780 5.408 1.00 0.52 H new ATOM 0 HD1 PHE A 78 5.830 13.690 3.932 1.00 1.78 H new ATOM 0 HD2 PHE A 78 5.677 9.638 5.350 1.00 1.63 H new ATOM 0 HE1 PHE A 78 3.359 13.754 3.803 1.00 1.88 H new ATOM 0 HE2 PHE A 78 3.196 9.775 5.404 1.00 1.66 H new ATOM 0 HZ PHE A 78 2.040 11.732 4.394 1.00 0.82 H new ATOM 1180 N ASP A 79 10.307 13.230 4.039 1.00 0.36 N ATOM 1181 CA ASP A 79 11.751 13.313 4.210 1.00 0.44 C ATOM 1182 C ASP A 79 12.161 12.518 5.453 1.00 0.48 C ATOM 1183 O ASP A 79 11.333 12.348 6.345 1.00 0.52 O ATOM 1184 CB ASP A 79 12.107 14.803 4.328 1.00 0.58 C ATOM 1185 CG ASP A 79 13.483 15.027 4.932 1.00 0.77 C ATOM 1186 OD1 ASP A 79 14.456 14.727 4.214 1.00 1.92 O ATOM 1187 OD2 ASP A 79 13.523 15.493 6.090 1.00 2.00 O ATOM 0 H ASP A 79 9.818 14.010 4.477 1.00 0.36 H new ATOM 0 HA ASP A 79 12.290 12.882 3.366 1.00 0.44 H new ATOM 0 HB2 ASP A 79 12.069 15.262 3.340 1.00 0.58 H new ATOM 0 HB3 ASP A 79 11.359 15.304 4.942 1.00 0.58 H new ATOM 1192 N ILE A 80 13.382 11.972 5.509 1.00 0.52 N ATOM 1193 CA ILE A 80 13.800 11.126 6.622 1.00 0.53 C ATOM 1194 C ILE A 80 15.022 11.716 7.322 1.00 0.60 C ATOM 1195 O ILE A 80 16.056 11.880 6.678 1.00 0.72 O ATOM 1196 CB ILE A 80 14.126 9.721 6.096 1.00 0.52 C ATOM 1197 CG1 ILE A 80 13.039 9.256 5.116 1.00 0.42 C ATOM 1198 CG2 ILE A 80 14.254 8.760 7.290 1.00 0.61 C ATOM 1199 CD1 ILE A 80 13.402 7.949 4.453 1.00 0.54 C ATOM 0 H ILE A 80 14.096 12.104 4.792 1.00 0.52 H new ATOM 0 HA ILE A 80 12.987 11.069 7.346 1.00 0.53 H new ATOM 0 HB ILE A 80 15.071 9.735 5.553 1.00 0.52 H new ATOM 0 HG12 ILE A 80 12.094 9.143 5.648 1.00 0.42 H new ATOM 0 HG13 ILE A 80 12.886 10.020 4.354 1.00 0.42 H new ATOM 0 HG21 ILE A 80 14.486 7.758 6.928 1.00 0.61 H new ATOM 0 HG22 ILE A 80 15.053 9.102 7.948 1.00 0.61 H new ATOM 0 HG23 ILE A 80 13.314 8.738 7.842 1.00 0.61 H new ATOM 0 HD11 ILE A 80 12.607 7.655 3.768 1.00 0.54 H new ATOM 0 HD12 ILE A 80 14.333 8.068 3.899 1.00 0.54 H new ATOM 0 HD13 ILE A 80 13.529 7.178 5.213 1.00 0.54 H new ATOM 1211 N GLU A 81 14.954 11.922 8.646 1.00 0.62 N ATOM 1212 CA GLU A 81 16.160 12.195 9.427 1.00 0.82 C ATOM 1213 C GLU A 81 16.469 10.942 10.253 1.00 0.94 C ATOM 1214 O GLU A 81 15.839 10.709 11.284 1.00 1.27 O ATOM 1215 CB GLU A 81 16.022 13.453 10.302 1.00 1.05 C ATOM 1216 CG GLU A 81 15.549 14.707 9.543 1.00 1.36 C ATOM 1217 CD GLU A 81 15.994 15.994 10.236 1.00 1.86 C ATOM 1218 OE1 GLU A 81 17.188 16.328 10.127 1.00 3.12 O ATOM 1219 OE2 GLU A 81 15.157 16.601 10.946 1.00 1.98 O ATOM 0 H GLU A 81 14.090 11.904 9.187 1.00 0.62 H new ATOM 0 HA GLU A 81 16.992 12.413 8.757 1.00 0.82 H new ATOM 0 HB2 GLU A 81 15.319 13.245 11.108 1.00 1.05 H new ATOM 0 HB3 GLU A 81 16.985 13.666 10.766 1.00 1.05 H new ATOM 0 HG2 GLU A 81 15.943 14.687 8.527 1.00 1.36 H new ATOM 0 HG3 GLU A 81 14.462 14.695 9.463 1.00 1.36 H new ATOM 1226 N GLY A 82 17.411 10.113 9.797 1.00 1.08 N ATOM 1227 CA GLY A 82 17.830 8.929 10.538 1.00 1.25 C ATOM 1228 C GLY A 82 18.525 7.899 9.652 1.00 1.31 C ATOM 1229 O GLY A 82 19.519 7.297 10.055 1.00 1.80 O ATOM 0 H GLY A 82 17.899 10.245 8.911 1.00 1.08 H new ATOM 0 HA2 GLY A 82 18.505 9.227 11.341 1.00 1.25 H new ATOM 0 HA3 GLY A 82 16.959 8.471 11.007 1.00 1.25 H new ATOM 1233 N MET A 83 17.995 7.672 8.446 1.00 1.11 N ATOM 1234 CA MET A 83 18.666 6.868 7.441 1.00 1.35 C ATOM 1235 C MET A 83 19.860 7.611 6.842 1.00 1.91 C ATOM 1236 O MET A 83 20.252 8.661 7.342 1.00 1.79 O ATOM 1237 CB MET A 83 17.634 6.376 6.416 1.00 1.65 C ATOM 1238 CG MET A 83 17.148 7.422 5.412 1.00 1.71 C ATOM 1239 SD MET A 83 18.151 7.545 3.913 1.00 2.50 S ATOM 1240 CE MET A 83 16.847 7.840 2.721 1.00 3.77 C ATOM 0 H MET A 83 17.093 8.042 8.148 1.00 1.11 H new ATOM 0 HA MET A 83 19.103 5.978 7.895 1.00 1.35 H new ATOM 0 HB2 MET A 83 18.067 5.542 5.863 1.00 1.65 H new ATOM 0 HB3 MET A 83 16.770 5.987 6.955 1.00 1.65 H new ATOM 0 HG2 MET A 83 16.122 7.187 5.129 1.00 1.71 H new ATOM 0 HG3 MET A 83 17.128 8.396 5.902 1.00 1.71 H new ATOM 0 HE1 MET A 83 17.284 7.996 1.735 1.00 3.77 H new ATOM 0 HE2 MET A 83 16.181 6.978 2.690 1.00 3.77 H new ATOM 0 HE3 MET A 83 16.282 8.725 3.012 1.00 3.77 H new ATOM 1285 N ALA A 87 21.353 1.197 6.411 1.00 1.32 N ATOM 1286 CA ALA A 87 20.303 0.690 5.532 1.00 1.51 C ATOM 1287 C ALA A 87 18.932 0.900 6.175 1.00 1.33 C ATOM 1288 O ALA A 87 17.998 0.128 5.952 1.00 1.41 O ATOM 1289 CB ALA A 87 20.589 -0.785 5.232 1.00 2.19 C ATOM 0 HA ALA A 87 20.293 1.236 4.588 1.00 1.51 H new ATOM 0 HB1 ALA A 87 19.813 -1.180 4.576 1.00 2.19 H new ATOM 0 HB2 ALA A 87 21.559 -0.875 4.743 1.00 2.19 H new ATOM 0 HB3 ALA A 87 20.599 -1.351 6.164 1.00 2.19 H new ATOM 1295 N CYS A 88 18.794 1.974 6.958 1.00 1.17 N ATOM 1296 CA CYS A 88 17.569 2.242 7.692 1.00 1.10 C ATOM 1297 C CYS A 88 16.440 2.454 6.691 1.00 1.02 C ATOM 1298 O CYS A 88 15.331 1.983 6.907 1.00 0.95 O ATOM 1299 CB CYS A 88 17.724 3.479 8.577 1.00 1.05 C ATOM 1300 SG CYS A 88 19.235 3.436 9.577 1.00 1.27 S ATOM 0 H CYS A 88 19.525 2.672 7.096 1.00 1.17 H new ATOM 0 HA CYS A 88 17.343 1.394 8.339 1.00 1.10 H new ATOM 0 HB2 CYS A 88 17.733 4.371 7.950 1.00 1.05 H new ATOM 0 HB3 CYS A 88 16.859 3.561 9.235 1.00 1.05 H new ATOM 0 HG CYS A 88 18.943 3.697 10.816 1.00 1.27 H new ATOM 1306 N ALA A 89 16.736 3.114 5.566 1.00 1.05 N ATOM 1307 CA ALA A 89 15.771 3.285 4.487 1.00 0.99 C ATOM 1308 C ALA A 89 15.309 1.934 3.938 1.00 1.02 C ATOM 1309 O ALA A 89 14.145 1.765 3.600 1.00 1.00 O ATOM 1310 CB ALA A 89 16.374 4.111 3.354 1.00 1.09 C ATOM 0 H ALA A 89 17.645 3.540 5.383 1.00 1.05 H new ATOM 0 HA ALA A 89 14.909 3.809 4.899 1.00 0.99 H new ATOM 0 HB1 ALA A 89 15.639 4.228 2.558 1.00 1.09 H new ATOM 0 HB2 ALA A 89 16.659 5.093 3.732 1.00 1.09 H new ATOM 0 HB3 ALA A 89 17.255 3.603 2.962 1.00 1.09 H new ATOM 1316 N ASN A 90 16.208 0.954 3.834 1.00 1.11 N ATOM 1317 CA ASN A 90 15.810 -0.341 3.296 1.00 1.19 C ATOM 1318 C ASN A 90 14.899 -1.032 4.310 1.00 1.11 C ATOM 1319 O ASN A 90 13.857 -1.583 3.958 1.00 1.06 O ATOM 1320 CB ASN A 90 17.024 -1.202 2.928 1.00 1.44 C ATOM 1321 CG ASN A 90 17.682 -0.772 1.618 1.00 1.67 C ATOM 1322 OD1 ASN A 90 17.673 -1.515 0.645 1.00 2.69 O ATOM 1323 ND2 ASN A 90 18.276 0.419 1.572 1.00 2.15 N ATOM 0 H ASN A 90 17.188 1.030 4.107 1.00 1.11 H new ATOM 0 HA ASN A 90 15.260 -0.194 2.366 1.00 1.19 H new ATOM 0 HB2 ASN A 90 17.758 -1.149 3.732 1.00 1.44 H new ATOM 0 HB3 ASN A 90 16.714 -2.244 2.848 1.00 1.44 H new ATOM 0 HD21 ASN A 90 18.735 0.727 0.715 1.00 2.15 H new ATOM 0 HD22 ASN A 90 18.272 1.023 2.394 1.00 2.15 H new ATOM 1330 N ARG A 91 15.266 -0.964 5.594 1.00 1.13 N ATOM 1331 CA ARG A 91 14.389 -1.454 6.654 1.00 1.09 C ATOM 1332 C ARG A 91 13.007 -0.784 6.600 1.00 0.98 C ATOM 1333 O ARG A 91 11.984 -1.465 6.528 1.00 0.98 O ATOM 1334 CB ARG A 91 15.058 -1.278 8.025 1.00 1.17 C ATOM 1335 CG ARG A 91 16.163 -2.322 8.255 1.00 1.63 C ATOM 1336 CD ARG A 91 16.005 -2.964 9.642 1.00 1.67 C ATOM 1337 NE ARG A 91 16.927 -4.096 9.841 1.00 2.34 N ATOM 1338 CZ ARG A 91 18.201 -4.011 10.261 1.00 3.24 C ATOM 1339 NH1 ARG A 91 18.763 -2.811 10.440 1.00 4.19 N ATOM 1340 NH2 ARG A 91 18.901 -5.126 10.499 1.00 4.02 N ATOM 0 H ARG A 91 16.153 -0.579 5.918 1.00 1.13 H new ATOM 0 HA ARG A 91 14.224 -2.520 6.495 1.00 1.09 H new ATOM 0 HB2 ARG A 91 15.482 -0.277 8.097 1.00 1.17 H new ATOM 0 HB3 ARG A 91 14.307 -1.363 8.810 1.00 1.17 H new ATOM 0 HG2 ARG A 91 16.114 -3.090 7.483 1.00 1.63 H new ATOM 0 HG3 ARG A 91 17.142 -1.850 8.174 1.00 1.63 H new ATOM 0 HD2 ARG A 91 16.184 -2.212 10.411 1.00 1.67 H new ATOM 0 HD3 ARG A 91 14.978 -3.308 9.766 1.00 1.67 H new ATOM 0 HE ARG A 91 16.566 -5.029 9.642 1.00 2.34 H new ATOM 0 HH11 ARG A 91 18.225 -1.964 10.258 1.00 4.19 H new ATOM 0 HH12 ARG A 91 19.730 -2.743 10.759 1.00 4.19 H new ATOM 0 HH21 ARG A 91 18.468 -6.039 10.362 1.00 4.02 H new ATOM 0 HH22 ARG A 91 19.868 -5.063 10.818 1.00 4.02 H new ATOM 1354 N ILE A 92 12.958 0.549 6.644 1.00 0.89 N ATOM 1355 CA ILE A 92 11.693 1.270 6.631 1.00 0.80 C ATOM 1356 C ILE A 92 10.937 1.067 5.313 1.00 0.72 C ATOM 1357 O ILE A 92 9.712 1.100 5.336 1.00 0.64 O ATOM 1358 CB ILE A 92 11.842 2.751 7.040 1.00 0.77 C ATOM 1359 CG1 ILE A 92 12.670 3.578 6.062 1.00 1.46 C ATOM 1360 CG2 ILE A 92 12.384 2.887 8.468 1.00 1.81 C ATOM 1361 CD1 ILE A 92 11.823 4.569 5.260 1.00 1.94 C ATOM 0 H ILE A 92 13.783 1.147 6.689 1.00 0.89 H new ATOM 0 HA ILE A 92 11.067 0.830 7.408 1.00 0.80 H new ATOM 0 HB ILE A 92 10.834 3.165 7.008 1.00 0.77 H new ATOM 0 HG12 ILE A 92 13.436 4.124 6.612 1.00 1.46 H new ATOM 0 HG13 ILE A 92 13.187 2.909 5.374 1.00 1.46 H new ATOM 0 HG21 ILE A 92 12.476 3.943 8.723 1.00 1.81 H new ATOM 0 HG22 ILE A 92 11.699 2.404 9.165 1.00 1.81 H new ATOM 0 HG23 ILE A 92 13.363 2.411 8.533 1.00 1.81 H new ATOM 0 HD11 ILE A 92 12.465 5.130 4.581 1.00 1.94 H new ATOM 0 HD12 ILE A 92 11.074 4.025 4.685 1.00 1.94 H new ATOM 0 HD13 ILE A 92 11.326 5.259 5.942 1.00 1.94 H new ATOM 1373 N GLU A 93 11.616 0.793 4.189 1.00 0.79 N ATOM 1374 CA GLU A 93 10.971 0.421 2.943 1.00 0.80 C ATOM 1375 C GLU A 93 10.115 -0.805 3.205 1.00 0.76 C ATOM 1376 O GLU A 93 8.904 -0.756 3.013 1.00 0.73 O ATOM 1377 CB GLU A 93 12.001 0.115 1.841 1.00 1.00 C ATOM 1378 CG GLU A 93 11.314 -0.083 0.484 1.00 1.07 C ATOM 1379 CD GLU A 93 11.669 -1.418 -0.170 1.00 1.54 C ATOM 1380 OE1 GLU A 93 12.795 -1.509 -0.700 1.00 1.84 O ATOM 1381 OE2 GLU A 93 10.825 -2.343 -0.110 1.00 2.70 O ATOM 0 H GLU A 93 12.634 0.826 4.130 1.00 0.79 H new ATOM 0 HA GLU A 93 10.361 1.254 2.593 1.00 0.80 H new ATOM 0 HB2 GLU A 93 12.719 0.932 1.773 1.00 1.00 H new ATOM 0 HB3 GLU A 93 12.562 -0.782 2.102 1.00 1.00 H new ATOM 0 HG2 GLU A 93 10.234 -0.025 0.617 1.00 1.07 H new ATOM 0 HG3 GLU A 93 11.598 0.730 -0.184 1.00 1.07 H new ATOM 1388 N LYS A 94 10.743 -1.890 3.670 1.00 0.80 N ATOM 1389 CA LYS A 94 10.046 -3.143 3.923 1.00 0.78 C ATOM 1390 C LYS A 94 8.892 -2.959 4.907 1.00 0.66 C ATOM 1391 O LYS A 94 7.905 -3.689 4.829 1.00 0.69 O ATOM 1392 CB LYS A 94 11.012 -4.212 4.450 1.00 0.84 C ATOM 1393 CG LYS A 94 12.089 -4.639 3.444 1.00 0.82 C ATOM 1394 CD LYS A 94 11.477 -5.142 2.129 1.00 1.98 C ATOM 1395 CE LYS A 94 12.442 -6.102 1.422 1.00 2.36 C ATOM 1396 NZ LYS A 94 12.019 -6.375 0.034 1.00 3.69 N ATOM 0 H LYS A 94 11.741 -1.919 3.878 1.00 0.80 H new ATOM 0 HA LYS A 94 9.633 -3.476 2.971 1.00 0.78 H new ATOM 0 HB2 LYS A 94 11.500 -3.833 5.348 1.00 0.84 H new ATOM 0 HB3 LYS A 94 10.438 -5.090 4.745 1.00 0.84 H new ATOM 0 HG2 LYS A 94 12.748 -3.796 3.238 1.00 0.82 H new ATOM 0 HG3 LYS A 94 12.704 -5.425 3.882 1.00 0.82 H new ATOM 0 HD2 LYS A 94 10.533 -5.648 2.330 1.00 1.98 H new ATOM 0 HD3 LYS A 94 11.253 -4.297 1.478 1.00 1.98 H new ATOM 0 HE2 LYS A 94 13.445 -5.674 1.420 1.00 2.36 H new ATOM 0 HE3 LYS A 94 12.496 -7.038 1.977 1.00 2.36 H new ATOM 0 HZ1 LYS A 94 12.695 -7.027 -0.413 1.00 3.69 H new ATOM 0 HZ2 LYS A 94 11.072 -6.806 0.038 1.00 3.69 H new ATOM 0 HZ3 LYS A 94 11.992 -5.484 -0.502 1.00 3.69 H new ATOM 1410 N ARG A 95 9.013 -2.008 5.837 1.00 0.56 N ATOM 1411 CA ARG A 95 7.900 -1.686 6.723 1.00 0.45 C ATOM 1412 C ARG A 95 6.804 -0.925 5.971 1.00 0.39 C ATOM 1413 O ARG A 95 5.726 -1.463 5.710 1.00 0.44 O ATOM 1414 CB ARG A 95 8.409 -0.897 7.932 1.00 0.50 C ATOM 1415 CG ARG A 95 9.318 -1.733 8.838 1.00 0.97 C ATOM 1416 CD ARG A 95 8.531 -2.783 9.637 1.00 1.10 C ATOM 1417 NE ARG A 95 9.320 -3.280 10.777 1.00 1.63 N ATOM 1418 CZ ARG A 95 8.830 -4.018 11.787 1.00 2.02 C ATOM 1419 NH1 ARG A 95 7.579 -4.488 11.719 1.00 2.42 N ATOM 1420 NH2 ARG A 95 9.590 -4.275 12.857 1.00 3.13 N ATOM 0 H ARG A 95 9.857 -1.457 5.992 1.00 0.56 H new ATOM 0 HA ARG A 95 7.455 -2.613 7.084 1.00 0.45 H new ATOM 0 HB2 ARG A 95 8.955 -0.019 7.585 1.00 0.50 H new ATOM 0 HB3 ARG A 95 7.559 -0.536 8.510 1.00 0.50 H new ATOM 0 HG2 ARG A 95 10.074 -2.232 8.231 1.00 0.97 H new ATOM 0 HG3 ARG A 95 9.846 -1.075 9.528 1.00 0.97 H new ATOM 0 HD2 ARG A 95 7.599 -2.347 9.998 1.00 1.10 H new ATOM 0 HD3 ARG A 95 8.263 -3.615 8.986 1.00 1.10 H new ATOM 0 HE ARG A 95 10.313 -3.046 10.802 1.00 1.63 H new ATOM 0 HH11 ARG A 95 7.002 -4.286 10.903 1.00 2.42 H new ATOM 0 HH12 ARG A 95 7.203 -5.049 12.483 1.00 2.42 H new ATOM 0 HH21 ARG A 95 10.541 -3.911 12.906 1.00 3.13 H new ATOM 0 HH22 ARG A 95 9.218 -4.835 13.624 1.00 3.13 H new ATOM 1434 N LEU A 96 7.086 0.337 5.630 1.00 0.35 N ATOM 1435 CA LEU A 96 6.147 1.276 5.034 1.00 0.39 C ATOM 1436 C LEU A 96 5.477 0.692 3.795 1.00 0.44 C ATOM 1437 O LEU A 96 4.307 0.975 3.563 1.00 0.50 O ATOM 1438 CB LEU A 96 6.820 2.621 4.753 1.00 0.46 C ATOM 1439 CG LEU A 96 7.271 3.377 6.023 1.00 0.56 C ATOM 1440 CD1 LEU A 96 7.535 4.826 5.620 1.00 0.90 C ATOM 1441 CD2 LEU A 96 6.236 3.367 7.154 1.00 1.84 C ATOM 0 H LEU A 96 8.012 0.742 5.770 1.00 0.35 H new ATOM 0 HA LEU A 96 5.352 1.460 5.757 1.00 0.39 H new ATOM 0 HB2 LEU A 96 7.688 2.455 4.114 1.00 0.46 H new ATOM 0 HB3 LEU A 96 6.129 3.251 4.194 1.00 0.46 H new ATOM 0 HG LEU A 96 8.156 2.872 6.411 1.00 0.56 H new ATOM 0 HD11 LEU A 96 7.857 5.394 6.493 1.00 0.90 H new ATOM 0 HD12 LEU A 96 8.316 4.856 4.860 1.00 0.90 H new ATOM 0 HD13 LEU A 96 6.621 5.264 5.219 1.00 0.90 H new ATOM 0 HD21 LEU A 96 6.627 3.918 8.010 1.00 1.84 H new ATOM 0 HD22 LEU A 96 5.316 3.838 6.809 1.00 1.84 H new ATOM 0 HD23 LEU A 96 6.029 2.338 7.449 1.00 1.84 H new ATOM 1453 N ASN A 97 6.186 -0.177 3.067 1.00 0.52 N ATOM 1454 CA ASN A 97 5.670 -1.066 2.027 1.00 0.70 C ATOM 1455 C ASN A 97 4.208 -1.445 2.267 1.00 0.80 C ATOM 1456 O ASN A 97 3.402 -1.410 1.342 1.00 0.92 O ATOM 1457 CB ASN A 97 6.472 -2.378 2.074 1.00 0.96 C ATOM 1458 CG ASN A 97 7.289 -2.718 0.836 1.00 0.82 C ATOM 1459 OD1 ASN A 97 7.037 -3.726 0.175 1.00 1.21 O ATOM 1460 ND2 ASN A 97 8.326 -1.930 0.603 1.00 1.30 N ATOM 0 H ASN A 97 7.192 -0.283 3.197 1.00 0.52 H new ATOM 0 HA ASN A 97 5.757 -0.544 1.074 1.00 0.70 H new ATOM 0 HB2 ASN A 97 7.148 -2.334 2.928 1.00 0.96 H new ATOM 0 HB3 ASN A 97 5.777 -3.197 2.260 1.00 0.96 H new ATOM 0 HD21 ASN A 97 8.969 -2.145 -0.159 1.00 1.30 H new ATOM 0 HD22 ASN A 97 8.483 -1.108 1.186 1.00 1.30 H new ATOM 1467 N LYS A 98 3.909 -1.901 3.492 1.00 0.77 N ATOM 1468 CA LYS A 98 2.630 -2.495 3.841 1.00 0.77 C ATOM 1469 C LYS A 98 2.455 -2.523 5.368 1.00 0.75 C ATOM 1470 O LYS A 98 2.279 -3.594 5.943 1.00 0.85 O ATOM 1471 CB LYS A 98 2.500 -3.877 3.161 1.00 0.74 C ATOM 1472 CG LYS A 98 3.561 -4.908 3.609 1.00 0.86 C ATOM 1473 CD LYS A 98 3.912 -5.988 2.561 1.00 1.90 C ATOM 1474 CE LYS A 98 5.125 -5.587 1.711 1.00 3.47 C ATOM 1475 NZ LYS A 98 5.613 -6.653 0.815 1.00 4.57 N ATOM 0 H LYS A 98 4.565 -1.863 4.272 1.00 0.77 H new ATOM 0 HA LYS A 98 1.807 -1.888 3.463 1.00 0.77 H new ATOM 0 HB2 LYS A 98 1.509 -4.279 3.369 1.00 0.74 H new ATOM 0 HB3 LYS A 98 2.571 -3.746 2.081 1.00 0.74 H new ATOM 0 HG2 LYS A 98 4.473 -4.374 3.877 1.00 0.86 H new ATOM 0 HG3 LYS A 98 3.205 -5.403 4.512 1.00 0.86 H new ATOM 0 HD2 LYS A 98 4.119 -6.931 3.067 1.00 1.90 H new ATOM 0 HD3 LYS A 98 3.053 -6.156 1.911 1.00 1.90 H new ATOM 0 HE2 LYS A 98 4.863 -4.715 1.111 1.00 3.47 H new ATOM 0 HE3 LYS A 98 5.936 -5.285 2.374 1.00 3.47 H new ATOM 0 HZ1 LYS A 98 6.432 -6.306 0.276 1.00 4.57 H new ATOM 0 HZ2 LYS A 98 5.896 -7.479 1.380 1.00 4.57 H new ATOM 0 HZ3 LYS A 98 4.856 -6.927 0.157 1.00 4.57 H new ATOM 1489 N ILE A 99 2.505 -1.355 6.025 1.00 0.73 N ATOM 1490 CA ILE A 99 2.239 -1.240 7.465 1.00 0.85 C ATOM 1491 C ILE A 99 0.834 -1.746 7.779 1.00 1.14 C ATOM 1492 O ILE A 99 0.671 -2.751 8.468 1.00 1.51 O ATOM 1493 CB ILE A 99 2.497 0.202 7.964 1.00 0.88 C ATOM 1494 CG1 ILE A 99 3.994 0.456 8.208 1.00 0.91 C ATOM 1495 CG2 ILE A 99 1.711 0.587 9.228 1.00 0.96 C ATOM 1496 CD1 ILE A 99 4.604 -0.303 9.396 1.00 1.84 C ATOM 0 H ILE A 99 2.730 -0.468 5.575 1.00 0.73 H new ATOM 0 HA ILE A 99 2.935 -1.874 8.014 1.00 0.85 H new ATOM 0 HB ILE A 99 2.134 0.836 7.155 1.00 0.88 H new ATOM 0 HG12 ILE A 99 4.543 0.187 7.306 1.00 0.91 H new ATOM 0 HG13 ILE A 99 4.143 1.524 8.365 1.00 0.91 H new ATOM 0 HG21 ILE A 99 1.951 1.613 9.508 1.00 0.96 H new ATOM 0 HG22 ILE A 99 0.642 0.506 9.031 1.00 0.96 H new ATOM 0 HG23 ILE A 99 1.981 -0.084 10.043 1.00 0.96 H new ATOM 0 HD11 ILE A 99 5.662 -0.055 9.482 1.00 1.84 H new ATOM 0 HD12 ILE A 99 4.089 -0.018 10.313 1.00 1.84 H new ATOM 0 HD13 ILE A 99 4.495 -1.376 9.237 1.00 1.84 H new ATOM 1508 N GLU A 100 -0.161 -1.040 7.255 1.00 1.15 N ATOM 1509 CA GLU A 100 -1.561 -1.399 7.355 1.00 1.39 C ATOM 1510 C GLU A 100 -2.067 -1.564 5.926 1.00 1.46 C ATOM 1511 O GLU A 100 -1.807 -2.578 5.282 1.00 1.83 O ATOM 1512 CB GLU A 100 -2.298 -0.299 8.127 1.00 1.25 C ATOM 1513 CG GLU A 100 -2.183 -0.449 9.647 1.00 2.03 C ATOM 1514 CD GLU A 100 -3.043 0.592 10.360 1.00 3.02 C ATOM 1515 OE1 GLU A 100 -3.197 1.689 9.781 1.00 3.82 O ATOM 1516 OE2 GLU A 100 -3.551 0.252 11.450 1.00 3.49 O ATOM 0 H GLU A 100 -0.006 -0.177 6.734 1.00 1.15 H new ATOM 0 HA GLU A 100 -1.728 -2.328 7.900 1.00 1.39 H new ATOM 0 HB2 GLU A 100 -1.899 0.672 7.833 1.00 1.25 H new ATOM 0 HB3 GLU A 100 -3.351 -0.310 7.846 1.00 1.25 H new ATOM 0 HG2 GLU A 100 -2.496 -1.450 9.943 1.00 2.03 H new ATOM 0 HG3 GLU A 100 -1.142 -0.337 9.950 1.00 2.03 H new ATOM 1523 N GLY A 101 -2.745 -0.546 5.396 1.00 1.27 N ATOM 1524 CA GLY A 101 -3.379 -0.644 4.105 1.00 1.54 C ATOM 1525 C GLY A 101 -2.437 -0.258 2.967 1.00 1.65 C ATOM 1526 O GLY A 101 -2.791 -0.432 1.808 1.00 2.69 O ATOM 0 H GLY A 101 -2.863 0.358 5.854 1.00 1.27 H new ATOM 0 HA2 GLY A 101 -3.731 -1.664 3.952 1.00 1.54 H new ATOM 0 HA3 GLY A 101 -4.256 0.003 4.083 1.00 1.54 H new ATOM 1530 N VAL A 102 -1.262 0.295 3.285 1.00 1.30 N ATOM 1531 CA VAL A 102 -0.348 0.899 2.324 1.00 1.18 C ATOM 1532 C VAL A 102 -0.205 0.076 1.043 1.00 1.18 C ATOM 1533 O VAL A 102 0.099 -1.117 1.083 1.00 1.08 O ATOM 1534 CB VAL A 102 1.000 1.214 2.985 1.00 0.94 C ATOM 1535 CG1 VAL A 102 1.828 2.045 2.006 1.00 0.94 C ATOM 1536 CG2 VAL A 102 0.790 1.958 4.311 1.00 0.89 C ATOM 0 H VAL A 102 -0.916 0.333 4.244 1.00 1.30 H new ATOM 0 HA VAL A 102 -0.785 1.845 2.004 1.00 1.18 H new ATOM 0 HB VAL A 102 1.531 0.291 3.218 1.00 0.94 H new ATOM 0 HG11 VAL A 102 2.793 2.282 2.455 1.00 0.94 H new ATOM 0 HG12 VAL A 102 1.984 1.478 1.089 1.00 0.94 H new ATOM 0 HG13 VAL A 102 1.299 2.970 1.775 1.00 0.94 H new ATOM 0 HG21 VAL A 102 1.757 2.173 4.765 1.00 0.89 H new ATOM 0 HG22 VAL A 102 0.261 2.893 4.124 1.00 0.89 H new ATOM 0 HG23 VAL A 102 0.202 1.338 4.987 1.00 0.89 H new ATOM 1546 N ALA A 103 -0.456 0.737 -0.091 1.00 1.31 N ATOM 1547 CA ALA A 103 -0.388 0.135 -1.402 1.00 1.42 C ATOM 1548 C ALA A 103 1.074 -0.057 -1.793 1.00 1.30 C ATOM 1549 O ALA A 103 1.451 -1.136 -2.244 1.00 1.31 O ATOM 1550 CB ALA A 103 -1.130 1.002 -2.425 1.00 1.66 C ATOM 0 H ALA A 103 -0.716 1.723 -0.111 1.00 1.31 H new ATOM 0 HA ALA A 103 -0.874 -0.840 -1.384 1.00 1.42 H new ATOM 0 HB1 ALA A 103 -1.070 0.536 -3.408 1.00 1.66 H new ATOM 0 HB2 ALA A 103 -2.175 1.097 -2.131 1.00 1.66 H new ATOM 0 HB3 ALA A 103 -0.673 1.991 -2.464 1.00 1.66 H new ATOM 1556 N ASN A 104 1.885 0.995 -1.611 1.00 1.25 N ATOM 1557 CA ASN A 104 3.317 0.997 -1.921 1.00 1.20 C ATOM 1558 C ASN A 104 4.026 2.018 -1.040 1.00 1.10 C ATOM 1559 O ASN A 104 3.381 2.892 -0.461 1.00 1.08 O ATOM 1560 CB ASN A 104 3.606 1.398 -3.376 1.00 1.32 C ATOM 1561 CG ASN A 104 3.002 0.479 -4.424 1.00 1.39 C ATOM 1562 OD1 ASN A 104 3.376 -0.686 -4.533 1.00 1.52 O ATOM 1563 ND2 ASN A 104 2.105 1.010 -5.240 1.00 1.31 N ATOM 0 H ASN A 104 1.555 1.885 -1.237 1.00 1.25 H new ATOM 0 HA ASN A 104 3.671 -0.019 -1.749 1.00 1.20 H new ATOM 0 HB2 ASN A 104 3.232 2.408 -3.540 1.00 1.32 H new ATOM 0 HB3 ASN A 104 4.686 1.431 -3.521 1.00 1.32 H new ATOM 0 HD21 ASN A 104 1.701 0.448 -5.989 1.00 1.31 H new ATOM 0 HD22 ASN A 104 1.818 1.981 -5.120 1.00 1.31 H new ATOM 1570 N ALA A 105 5.362 1.957 -1.003 1.00 1.04 N ATOM 1571 CA ALA A 105 6.177 2.978 -0.350 1.00 0.92 C ATOM 1572 C ALA A 105 7.650 2.936 -0.790 1.00 0.95 C ATOM 1573 O ALA A 105 8.499 2.484 -0.022 1.00 0.93 O ATOM 1574 CB ALA A 105 6.074 2.841 1.176 1.00 0.82 C ATOM 0 H ALA A 105 5.903 1.201 -1.424 1.00 1.04 H new ATOM 0 HA ALA A 105 5.782 3.946 -0.659 1.00 0.92 H new ATOM 0 HB1 ALA A 105 6.686 3.607 1.652 1.00 0.82 H new ATOM 0 HB2 ALA A 105 5.035 2.963 1.483 1.00 0.82 H new ATOM 0 HB3 ALA A 105 6.428 1.855 1.478 1.00 0.82 H new ATOM 1580 N PRO A 106 7.985 3.372 -2.016 1.00 1.02 N ATOM 1581 CA PRO A 106 9.362 3.350 -2.489 1.00 1.08 C ATOM 1582 C PRO A 106 10.221 4.397 -1.764 1.00 0.97 C ATOM 1583 O PRO A 106 9.777 5.523 -1.532 1.00 0.89 O ATOM 1584 CB PRO A 106 9.285 3.583 -4.002 1.00 1.18 C ATOM 1585 CG PRO A 106 7.951 4.300 -4.216 1.00 1.19 C ATOM 1586 CD PRO A 106 7.073 3.830 -3.052 1.00 1.09 C ATOM 0 HA PRO A 106 9.851 2.399 -2.276 1.00 1.08 H new ATOM 0 HB2 PRO A 106 10.121 4.188 -4.353 1.00 1.18 H new ATOM 0 HB3 PRO A 106 9.321 2.642 -4.550 1.00 1.18 H new ATOM 0 HG2 PRO A 106 8.076 5.383 -4.207 1.00 1.19 H new ATOM 0 HG3 PRO A 106 7.509 4.038 -5.177 1.00 1.19 H new ATOM 0 HD2 PRO A 106 6.444 4.642 -2.686 1.00 1.09 H new ATOM 0 HD3 PRO A 106 6.406 3.027 -3.367 1.00 1.09 H new ATOM 1594 N VAL A 107 11.456 4.017 -1.411 1.00 1.01 N ATOM 1595 CA VAL A 107 12.435 4.872 -0.746 1.00 0.97 C ATOM 1596 C VAL A 107 13.481 5.352 -1.752 1.00 1.09 C ATOM 1597 O VAL A 107 13.842 4.602 -2.659 1.00 1.25 O ATOM 1598 CB VAL A 107 13.095 4.139 0.440 1.00 0.96 C ATOM 1599 CG1 VAL A 107 12.037 3.685 1.452 1.00 1.95 C ATOM 1600 CG2 VAL A 107 13.957 2.942 0.015 1.00 1.93 C ATOM 0 H VAL A 107 11.807 3.076 -1.588 1.00 1.01 H new ATOM 0 HA VAL A 107 11.919 5.744 -0.343 1.00 0.97 H new ATOM 0 HB VAL A 107 13.765 4.862 0.904 1.00 0.96 H new ATOM 0 HG11 VAL A 107 12.523 3.170 2.281 1.00 1.95 H new ATOM 0 HG12 VAL A 107 11.499 4.554 1.830 1.00 1.95 H new ATOM 0 HG13 VAL A 107 11.335 3.007 0.966 1.00 1.95 H new ATOM 0 HG21 VAL A 107 14.390 2.474 0.899 1.00 1.93 H new ATOM 0 HG22 VAL A 107 13.338 2.217 -0.513 1.00 1.93 H new ATOM 0 HG23 VAL A 107 14.756 3.284 -0.643 1.00 1.93 H new ATOM 1610 N ASN A 108 14.002 6.570 -1.571 1.00 1.05 N ATOM 1611 CA ASN A 108 15.114 7.092 -2.355 1.00 1.15 C ATOM 1612 C ASN A 108 16.312 7.272 -1.439 1.00 1.12 C ATOM 1613 O ASN A 108 16.140 7.573 -0.262 1.00 1.79 O ATOM 1614 CB ASN A 108 14.760 8.457 -2.948 1.00 1.28 C ATOM 1615 CG ASN A 108 13.745 8.384 -4.087 1.00 1.47 C ATOM 1616 OD1 ASN A 108 13.009 7.417 -4.236 1.00 2.12 O ATOM 1617 ND2 ASN A 108 13.709 9.411 -4.930 1.00 1.66 N ATOM 0 H ASN A 108 13.657 7.223 -0.868 1.00 1.05 H new ATOM 0 HA ASN A 108 15.334 6.393 -3.162 1.00 1.15 H new ATOM 0 HB2 ASN A 108 14.362 9.095 -2.159 1.00 1.28 H new ATOM 0 HB3 ASN A 108 15.670 8.932 -3.314 1.00 1.28 H new ATOM 0 HD21 ASN A 108 13.060 9.402 -5.717 1.00 1.66 H new ATOM 0 HD22 ASN A 108 14.330 10.208 -4.790 1.00 1.66 H new ATOM 1624 N PHE A 109 17.522 7.143 -1.994 1.00 1.37 N ATOM 1625 CA PHE A 109 18.780 7.287 -1.262 1.00 1.36 C ATOM 1626 C PHE A 109 19.614 8.472 -1.762 1.00 1.55 C ATOM 1627 O PHE A 109 20.769 8.621 -1.379 1.00 1.96 O ATOM 1628 CB PHE A 109 19.562 5.972 -1.372 1.00 1.32 C ATOM 1629 CG PHE A 109 20.148 5.510 -0.056 1.00 1.21 C ATOM 1630 CD1 PHE A 109 19.282 5.136 0.985 1.00 2.12 C ATOM 1631 CD2 PHE A 109 21.537 5.529 0.160 1.00 2.33 C ATOM 1632 CE1 PHE A 109 19.804 4.765 2.233 1.00 2.12 C ATOM 1633 CE2 PHE A 109 22.060 5.105 1.394 1.00 2.57 C ATOM 1634 CZ PHE A 109 21.194 4.701 2.427 1.00 1.61 C ATOM 0 H PHE A 109 17.654 6.932 -2.983 1.00 1.37 H new ATOM 0 HA PHE A 109 18.555 7.500 -0.217 1.00 1.36 H new ATOM 0 HB2 PHE A 109 18.901 5.196 -1.759 1.00 1.32 H new ATOM 0 HB3 PHE A 109 20.367 6.096 -2.096 1.00 1.32 H new ATOM 0 HD1 PHE A 109 18.214 5.134 0.824 1.00 2.12 H new ATOM 0 HD2 PHE A 109 22.201 5.869 -0.621 1.00 2.33 H new ATOM 0 HE1 PHE A 109 19.135 4.528 3.047 1.00 2.12 H new ATOM 0 HE2 PHE A 109 23.129 5.089 1.550 1.00 2.57 H new ATOM 0 HZ PHE A 109 21.596 4.344 3.364 1.00 1.61 H new ATOM 1644 N ALA A 110 19.030 9.291 -2.640 1.00 1.43 N ATOM 1645 CA ALA A 110 19.653 10.484 -3.204 1.00 1.60 C ATOM 1646 C ALA A 110 19.061 11.739 -2.564 1.00 1.57 C ATOM 1647 O ALA A 110 19.782 12.670 -2.225 1.00 1.66 O ATOM 1648 CB ALA A 110 19.438 10.489 -4.720 1.00 1.75 C ATOM 0 H ALA A 110 18.083 9.135 -2.986 1.00 1.43 H new ATOM 0 HA ALA A 110 20.723 10.476 -2.997 1.00 1.60 H new ATOM 0 HB1 ALA A 110 19.900 11.377 -5.150 1.00 1.75 H new ATOM 0 HB2 ALA A 110 19.891 9.598 -5.155 1.00 1.75 H new ATOM 0 HB3 ALA A 110 18.370 10.495 -4.936 1.00 1.75 H new ATOM 1654 N LEU A 111 17.731 11.763 -2.427 1.00 1.51 N ATOM 1655 CA LEU A 111 16.999 12.884 -1.850 1.00 1.52 C ATOM 1656 C LEU A 111 16.905 12.763 -0.328 1.00 1.24 C ATOM 1657 O LEU A 111 16.612 13.749 0.339 1.00 1.14 O ATOM 1658 CB LEU A 111 15.577 12.938 -2.427 1.00 1.61 C ATOM 1659 CG LEU A 111 15.476 12.702 -3.944 1.00 1.73 C ATOM 1660 CD1 LEU A 111 14.013 12.831 -4.381 1.00 1.90 C ATOM 1661 CD2 LEU A 111 16.333 13.693 -4.741 1.00 1.90 C ATOM 0 H LEU A 111 17.130 10.993 -2.719 1.00 1.51 H new ATOM 0 HA LEU A 111 17.543 13.795 -2.100 1.00 1.52 H new ATOM 0 HB2 LEU A 111 14.967 12.192 -1.918 1.00 1.61 H new ATOM 0 HB3 LEU A 111 15.146 13.912 -2.198 1.00 1.61 H new ATOM 0 HG LEU A 111 15.851 11.699 -4.149 1.00 1.73 H new ATOM 0 HD11 LEU A 111 13.938 12.664 -5.456 1.00 1.90 H new ATOM 0 HD12 LEU A 111 13.410 12.090 -3.856 1.00 1.90 H new ATOM 0 HD13 LEU A 111 13.649 13.830 -4.143 1.00 1.90 H new ATOM 0 HD21 LEU A 111 16.230 13.488 -5.807 1.00 1.90 H new ATOM 0 HD22 LEU A 111 16.001 14.710 -4.533 1.00 1.90 H new ATOM 0 HD23 LEU A 111 17.378 13.586 -4.450 1.00 1.90 H new ATOM 1673 N GLU A 112 17.063 11.537 0.188 1.00 1.22 N ATOM 1674 CA GLU A 112 16.893 11.166 1.584 1.00 1.05 C ATOM 1675 C GLU A 112 15.415 11.222 2.000 1.00 0.76 C ATOM 1676 O GLU A 112 15.048 11.728 3.059 1.00 0.72 O ATOM 1677 CB GLU A 112 17.901 11.897 2.488 1.00 1.30 C ATOM 1678 CG GLU A 112 19.319 11.407 2.136 1.00 1.62 C ATOM 1679 CD GLU A 112 20.415 12.285 2.721 1.00 2.03 C ATOM 1680 OE1 GLU A 112 20.380 13.503 2.454 1.00 2.91 O ATOM 1681 OE2 GLU A 112 21.292 11.707 3.397 1.00 2.48 O ATOM 0 H GLU A 112 17.327 10.742 -0.394 1.00 1.22 H new ATOM 0 HA GLU A 112 17.153 10.117 1.723 1.00 1.05 H new ATOM 0 HB2 GLU A 112 17.826 12.975 2.344 1.00 1.30 H new ATOM 0 HB3 GLU A 112 17.682 11.699 3.537 1.00 1.30 H new ATOM 0 HG2 GLU A 112 19.445 10.387 2.500 1.00 1.62 H new ATOM 0 HG3 GLU A 112 19.427 11.375 1.052 1.00 1.62 H new ATOM 1688 N THR A 113 14.561 10.637 1.149 1.00 0.68 N ATOM 1689 CA THR A 113 13.109 10.694 1.269 1.00 0.54 C ATOM 1690 C THR A 113 12.494 9.315 1.017 1.00 0.54 C ATOM 1691 O THR A 113 13.135 8.439 0.432 1.00 0.65 O ATOM 1692 CB THR A 113 12.535 11.716 0.272 1.00 0.63 C ATOM 1693 OG1 THR A 113 12.778 11.281 -1.048 1.00 0.77 O ATOM 1694 CG2 THR A 113 13.135 13.115 0.424 1.00 0.74 C ATOM 0 H THR A 113 14.875 10.100 0.341 1.00 0.68 H new ATOM 0 HA THR A 113 12.859 11.006 2.283 1.00 0.54 H new ATOM 0 HB THR A 113 11.468 11.782 0.486 1.00 0.63 H new ATOM 0 HG1 THR A 113 12.410 11.933 -1.680 1.00 0.77 H new ATOM 0 HG21 THR A 113 12.686 13.785 -0.309 1.00 0.74 H new ATOM 0 HG22 THR A 113 12.935 13.489 1.428 1.00 0.74 H new ATOM 0 HG23 THR A 113 14.212 13.069 0.262 1.00 0.74 H new ATOM 1702 N VAL A 114 11.236 9.157 1.431 1.00 0.49 N ATOM 1703 CA VAL A 114 10.382 8.021 1.124 1.00 0.51 C ATOM 1704 C VAL A 114 9.043 8.512 0.581 1.00 0.56 C ATOM 1705 O VAL A 114 8.425 9.402 1.164 1.00 0.50 O ATOM 1706 CB VAL A 114 10.218 7.113 2.357 1.00 0.47 C ATOM 1707 CG1 VAL A 114 9.761 7.861 3.619 1.00 0.44 C ATOM 1708 CG2 VAL A 114 9.244 5.959 2.098 1.00 0.51 C ATOM 0 H VAL A 114 10.769 9.851 2.015 1.00 0.49 H new ATOM 0 HA VAL A 114 10.851 7.414 0.349 1.00 0.51 H new ATOM 0 HB VAL A 114 11.219 6.722 2.537 1.00 0.47 H new ATOM 0 HG11 VAL A 114 9.668 7.157 4.446 1.00 0.44 H new ATOM 0 HG12 VAL A 114 10.495 8.625 3.875 1.00 0.44 H new ATOM 0 HG13 VAL A 114 8.796 8.332 3.433 1.00 0.44 H new ATOM 0 HG21 VAL A 114 9.160 5.345 2.995 1.00 0.51 H new ATOM 0 HG22 VAL A 114 8.264 6.361 1.840 1.00 0.51 H new ATOM 0 HG23 VAL A 114 9.614 5.349 1.274 1.00 0.51 H new ATOM 1718 N THR A 115 8.589 7.910 -0.517 1.00 0.72 N ATOM 1719 CA THR A 115 7.229 8.037 -0.993 1.00 0.81 C ATOM 1720 C THR A 115 6.386 7.013 -0.234 1.00 0.83 C ATOM 1721 O THR A 115 6.869 5.919 0.047 1.00 1.00 O ATOM 1722 CB THR A 115 7.216 7.736 -2.493 1.00 0.97 C ATOM 1723 OG1 THR A 115 8.168 8.523 -3.182 1.00 0.99 O ATOM 1724 CG2 THR A 115 5.838 7.944 -3.120 1.00 1.07 C ATOM 0 H THR A 115 9.172 7.313 -1.104 1.00 0.72 H new ATOM 0 HA THR A 115 6.830 9.038 -0.831 1.00 0.81 H new ATOM 0 HB THR A 115 7.477 6.682 -2.591 1.00 0.97 H new ATOM 0 HG1 THR A 115 8.139 8.309 -4.138 1.00 0.99 H new ATOM 0 HG21 THR A 115 5.885 7.717 -4.185 1.00 1.07 H new ATOM 0 HG22 THR A 115 5.116 7.284 -2.639 1.00 1.07 H new ATOM 0 HG23 THR A 115 5.529 8.980 -2.983 1.00 1.07 H new ATOM 1732 N VAL A 116 5.137 7.345 0.085 1.00 0.81 N ATOM 1733 CA VAL A 116 4.171 6.443 0.688 1.00 0.81 C ATOM 1734 C VAL A 116 2.842 6.603 -0.059 1.00 0.94 C ATOM 1735 O VAL A 116 2.341 7.718 -0.195 1.00 0.86 O ATOM 1736 CB VAL A 116 4.088 6.714 2.202 1.00 0.75 C ATOM 1737 CG1 VAL A 116 3.491 8.085 2.541 1.00 0.86 C ATOM 1738 CG2 VAL A 116 3.329 5.591 2.918 1.00 0.85 C ATOM 0 H VAL A 116 4.762 8.280 -0.076 1.00 0.81 H new ATOM 0 HA VAL A 116 4.468 5.398 0.595 1.00 0.81 H new ATOM 0 HB VAL A 116 5.115 6.732 2.566 1.00 0.75 H new ATOM 0 HG11 VAL A 116 3.461 8.211 3.623 1.00 0.86 H new ATOM 0 HG12 VAL A 116 4.107 8.869 2.101 1.00 0.86 H new ATOM 0 HG13 VAL A 116 2.479 8.151 2.140 1.00 0.86 H new ATOM 0 HG21 VAL A 116 3.284 5.806 3.986 1.00 0.85 H new ATOM 0 HG22 VAL A 116 2.317 5.523 2.518 1.00 0.85 H new ATOM 0 HG23 VAL A 116 3.845 4.644 2.760 1.00 0.85 H new ATOM 1748 N GLU A 117 2.294 5.498 -0.571 1.00 1.21 N ATOM 1749 CA GLU A 117 0.999 5.447 -1.232 1.00 1.45 C ATOM 1750 C GLU A 117 0.059 4.647 -0.337 1.00 1.44 C ATOM 1751 O GLU A 117 0.067 3.417 -0.389 1.00 1.42 O ATOM 1752 CB GLU A 117 1.126 4.722 -2.580 1.00 1.67 C ATOM 1753 CG GLU A 117 1.620 5.640 -3.695 1.00 1.34 C ATOM 1754 CD GLU A 117 1.770 4.916 -5.028 1.00 1.45 C ATOM 1755 OE1 GLU A 117 1.683 3.666 -5.022 1.00 2.11 O ATOM 1756 OE2 GLU A 117 1.980 5.632 -6.029 1.00 2.28 O ATOM 0 H GLU A 117 2.758 4.590 -0.533 1.00 1.21 H new ATOM 0 HA GLU A 117 0.625 6.456 -1.404 1.00 1.45 H new ATOM 0 HB2 GLU A 117 1.813 3.883 -2.474 1.00 1.67 H new ATOM 0 HB3 GLU A 117 0.157 4.307 -2.858 1.00 1.67 H new ATOM 0 HG2 GLU A 117 0.923 6.470 -3.813 1.00 1.34 H new ATOM 0 HG3 GLU A 117 2.580 6.069 -3.409 1.00 1.34 H new ATOM 1763 N TYR A 118 -0.744 5.321 0.486 1.00 1.49 N ATOM 1764 CA TYR A 118 -1.668 4.676 1.411 1.00 1.49 C ATOM 1765 C TYR A 118 -2.968 5.464 1.422 1.00 1.50 C ATOM 1766 O TYR A 118 -2.987 6.620 0.999 1.00 1.59 O ATOM 1767 CB TYR A 118 -1.070 4.651 2.819 1.00 1.44 C ATOM 1768 CG TYR A 118 -1.081 5.990 3.529 1.00 1.29 C ATOM 1769 CD1 TYR A 118 -0.151 6.987 3.185 1.00 1.43 C ATOM 1770 CD2 TYR A 118 -2.114 6.287 4.434 1.00 2.47 C ATOM 1771 CE1 TYR A 118 -0.203 8.248 3.805 1.00 1.45 C ATOM 1772 CE2 TYR A 118 -2.173 7.550 5.039 1.00 2.32 C ATOM 1773 CZ TYR A 118 -1.207 8.522 4.749 1.00 0.99 C ATOM 1774 OH TYR A 118 -1.263 9.734 5.368 1.00 0.90 O ATOM 0 H TYR A 118 -0.770 6.340 0.528 1.00 1.49 H new ATOM 0 HA TYR A 118 -1.852 3.650 1.093 1.00 1.49 H new ATOM 0 HB2 TYR A 118 -1.622 3.930 3.422 1.00 1.44 H new ATOM 0 HB3 TYR A 118 -0.042 4.295 2.757 1.00 1.44 H new ATOM 0 HD1 TYR A 118 0.606 6.784 2.442 1.00 1.43 H new ATOM 0 HD2 TYR A 118 -2.862 5.543 4.663 1.00 2.47 H new ATOM 0 HE1 TYR A 118 0.527 9.004 3.556 1.00 1.45 H new ATOM 0 HE2 TYR A 118 -2.969 7.775 5.734 1.00 2.32 H new ATOM 0 HH TYR A 118 -2.194 9.946 5.589 1.00 0.90 H new ATOM 1784 N ASN A 119 -4.058 4.843 1.872 1.00 1.46 N ATOM 1785 CA ASN A 119 -5.351 5.510 1.801 1.00 1.41 C ATOM 1786 C ASN A 119 -5.493 6.415 3.022 1.00 1.35 C ATOM 1787 O ASN A 119 -5.544 5.893 4.140 1.00 1.35 O ATOM 1788 CB ASN A 119 -6.486 4.490 1.747 1.00 1.62 C ATOM 1789 CG ASN A 119 -7.865 5.132 1.752 1.00 2.14 C ATOM 1790 OD1 ASN A 119 -8.007 6.346 1.795 1.00 2.60 O ATOM 1791 ND2 ASN A 119 -8.916 4.327 1.749 1.00 2.85 N ATOM 0 H ASN A 119 -4.072 3.907 2.278 1.00 1.46 H new ATOM 0 HA ASN A 119 -5.408 6.107 0.891 1.00 1.41 H new ATOM 0 HB2 ASN A 119 -6.378 3.882 0.849 1.00 1.62 H new ATOM 0 HB3 ASN A 119 -6.402 3.816 2.600 1.00 1.62 H new ATOM 0 HD21 ASN A 119 -9.858 4.718 1.783 1.00 2.85 H new ATOM 0 HD22 ASN A 119 -8.784 3.316 1.713 1.00 2.85 H new ATOM 1798 N PRO A 120 -5.629 7.738 2.836 1.00 1.33 N ATOM 1799 CA PRO A 120 -5.760 8.668 3.946 1.00 1.32 C ATOM 1800 C PRO A 120 -7.079 8.509 4.715 1.00 1.39 C ATOM 1801 O PRO A 120 -7.327 9.281 5.638 1.00 1.54 O ATOM 1802 CB PRO A 120 -5.623 10.058 3.318 1.00 1.41 C ATOM 1803 CG PRO A 120 -6.172 9.859 1.907 1.00 1.39 C ATOM 1804 CD PRO A 120 -5.714 8.442 1.558 1.00 1.33 C ATOM 0 HA PRO A 120 -4.996 8.483 4.702 1.00 1.32 H new ATOM 0 HB2 PRO A 120 -6.192 10.807 3.869 1.00 1.41 H new ATOM 0 HB3 PRO A 120 -4.586 10.393 3.303 1.00 1.41 H new ATOM 0 HG2 PRO A 120 -7.258 9.951 1.879 1.00 1.39 H new ATOM 0 HG3 PRO A 120 -5.772 10.596 1.210 1.00 1.39 H new ATOM 0 HD2 PRO A 120 -6.421 7.954 0.887 1.00 1.33 H new ATOM 0 HD3 PRO A 120 -4.749 8.454 1.051 1.00 1.33 H new ATOM 1812 N LYS A 121 -7.932 7.534 4.363 1.00 1.40 N ATOM 1813 CA LYS A 121 -9.125 7.236 5.147 1.00 1.48 C ATOM 1814 C LYS A 121 -8.817 6.104 6.124 1.00 1.37 C ATOM 1815 O LYS A 121 -9.309 6.100 7.250 1.00 1.43 O ATOM 1816 CB LYS A 121 -10.303 6.953 4.202 1.00 1.66 C ATOM 1817 CG LYS A 121 -10.831 5.515 4.172 1.00 3.12 C ATOM 1818 CD LYS A 121 -11.749 5.172 5.353 1.00 4.64 C ATOM 1819 CE LYS A 121 -12.689 4.017 4.978 1.00 6.50 C ATOM 1820 NZ LYS A 121 -13.488 3.563 6.134 1.00 8.26 N ATOM 0 H LYS A 121 -7.812 6.943 3.540 1.00 1.40 H new ATOM 0 HA LYS A 121 -9.425 8.090 5.754 1.00 1.48 H new ATOM 0 HB2 LYS A 121 -11.126 7.612 4.478 1.00 1.66 H new ATOM 0 HB3 LYS A 121 -10.001 7.226 3.191 1.00 1.66 H new ATOM 0 HG2 LYS A 121 -11.376 5.356 3.241 1.00 3.12 H new ATOM 0 HG3 LYS A 121 -9.986 4.827 4.168 1.00 3.12 H new ATOM 0 HD2 LYS A 121 -11.149 4.895 6.220 1.00 4.64 H new ATOM 0 HD3 LYS A 121 -12.333 6.048 5.635 1.00 4.64 H new ATOM 0 HE2 LYS A 121 -13.357 4.337 4.178 1.00 6.50 H new ATOM 0 HE3 LYS A 121 -12.104 3.183 4.591 1.00 6.50 H new ATOM 0 HZ1 LYS A 121 -14.110 2.783 5.841 1.00 8.26 H new ATOM 0 HZ2 LYS A 121 -12.852 3.234 6.888 1.00 8.26 H new ATOM 0 HZ3 LYS A 121 -14.066 4.352 6.488 1.00 8.26 H new ATOM 1834 N GLU A 122 -8.043 5.121 5.660 1.00 1.25 N ATOM 1835 CA GLU A 122 -7.730 3.920 6.413 1.00 1.12 C ATOM 1836 C GLU A 122 -6.690 4.273 7.479 1.00 1.05 C ATOM 1837 O GLU A 122 -6.840 3.893 8.636 1.00 1.06 O ATOM 1838 CB GLU A 122 -7.240 2.829 5.441 1.00 1.05 C ATOM 1839 CG GLU A 122 -8.054 1.530 5.456 1.00 1.15 C ATOM 1840 CD GLU A 122 -8.105 0.857 6.817 1.00 3.05 C ATOM 1841 OE1 GLU A 122 -7.092 0.215 7.160 1.00 4.36 O ATOM 1842 OE2 GLU A 122 -9.173 0.980 7.457 1.00 4.00 O ATOM 0 H GLU A 122 -7.613 5.144 4.735 1.00 1.25 H new ATOM 0 HA GLU A 122 -8.609 3.526 6.922 1.00 1.12 H new ATOM 0 HB2 GLU A 122 -7.251 3.234 4.429 1.00 1.05 H new ATOM 0 HB3 GLU A 122 -6.203 2.592 5.678 1.00 1.05 H new ATOM 0 HG2 GLU A 122 -9.071 1.745 5.129 1.00 1.15 H new ATOM 0 HG3 GLU A 122 -7.627 0.835 4.733 1.00 1.15 H new ATOM 1849 N ALA A 123 -5.652 5.028 7.089 1.00 1.04 N ATOM 1850 CA ALA A 123 -4.571 5.411 8.002 1.00 0.98 C ATOM 1851 C ALA A 123 -4.293 6.908 7.878 1.00 1.03 C ATOM 1852 O ALA A 123 -5.027 7.614 7.190 1.00 1.19 O ATOM 1853 CB ALA A 123 -3.333 4.548 7.727 1.00 0.92 C ATOM 0 H ALA A 123 -5.541 5.386 6.140 1.00 1.04 H new ATOM 0 HA ALA A 123 -4.865 5.228 9.035 1.00 0.98 H new ATOM 0 HB1 ALA A 123 -2.531 4.835 8.407 1.00 0.92 H new ATOM 0 HB2 ALA A 123 -3.580 3.498 7.880 1.00 0.92 H new ATOM 0 HB3 ALA A 123 -3.007 4.697 6.698 1.00 0.92 H new ATOM 1859 N SER A 124 -3.240 7.415 8.533 1.00 0.93 N ATOM 1860 CA SER A 124 -2.872 8.825 8.480 1.00 0.95 C ATOM 1861 C SER A 124 -1.386 8.984 8.796 1.00 0.77 C ATOM 1862 O SER A 124 -0.762 8.074 9.338 1.00 0.72 O ATOM 1863 CB SER A 124 -3.735 9.619 9.466 1.00 1.14 C ATOM 1864 OG SER A 124 -3.537 9.142 10.784 1.00 2.65 O ATOM 0 H SER A 124 -2.621 6.851 9.115 1.00 0.93 H new ATOM 0 HA SER A 124 -3.050 9.215 7.478 1.00 0.95 H new ATOM 0 HB2 SER A 124 -3.480 10.678 9.413 1.00 1.14 H new ATOM 0 HB3 SER A 124 -4.787 9.530 9.193 1.00 1.14 H new ATOM 0 HG SER A 124 -4.092 9.658 11.405 1.00 2.65 H new ATOM 1870 N VAL A 125 -0.817 10.154 8.498 1.00 0.70 N ATOM 1871 CA VAL A 125 0.566 10.465 8.768 1.00 0.57 C ATOM 1872 C VAL A 125 0.961 10.190 10.217 1.00 0.60 C ATOM 1873 O VAL A 125 2.068 9.727 10.471 1.00 0.56 O ATOM 1874 CB VAL A 125 0.827 11.916 8.367 1.00 0.59 C ATOM 1875 CG1 VAL A 125 0.594 12.128 6.868 1.00 1.96 C ATOM 1876 CG2 VAL A 125 0.035 12.960 9.165 1.00 2.09 C ATOM 0 H VAL A 125 -1.325 10.919 8.054 1.00 0.70 H new ATOM 0 HA VAL A 125 1.196 9.805 8.173 1.00 0.57 H new ATOM 0 HB VAL A 125 1.876 12.080 8.612 1.00 0.59 H new ATOM 0 HG11 VAL A 125 0.788 13.170 6.613 1.00 1.96 H new ATOM 0 HG12 VAL A 125 1.267 11.485 6.301 1.00 1.96 H new ATOM 0 HG13 VAL A 125 -0.438 11.880 6.622 1.00 1.96 H new ATOM 0 HG21 VAL A 125 0.287 13.959 8.808 1.00 2.09 H new ATOM 0 HG22 VAL A 125 -1.033 12.786 9.032 1.00 2.09 H new ATOM 0 HG23 VAL A 125 0.287 12.878 10.222 1.00 2.09 H new ATOM 1886 N SER A 126 0.067 10.456 11.170 1.00 0.72 N ATOM 1887 CA SER A 126 0.292 10.168 12.574 1.00 0.84 C ATOM 1888 C SER A 126 0.693 8.705 12.778 1.00 0.83 C ATOM 1889 O SER A 126 1.601 8.416 13.557 1.00 0.84 O ATOM 1890 CB SER A 126 -0.996 10.494 13.331 1.00 0.96 C ATOM 1891 OG SER A 126 -1.452 11.776 12.930 1.00 0.91 O ATOM 0 H SER A 126 -0.840 10.882 10.980 1.00 0.72 H new ATOM 0 HA SER A 126 1.114 10.776 12.953 1.00 0.84 H new ATOM 0 HB2 SER A 126 -1.756 9.741 13.123 1.00 0.96 H new ATOM 0 HB3 SER A 126 -0.816 10.477 14.406 1.00 0.96 H new ATOM 0 HG SER A 126 -2.279 11.994 13.409 1.00 0.91 H new ATOM 1897 N ASP A 127 0.036 7.793 12.054 1.00 0.83 N ATOM 1898 CA ASP A 127 0.349 6.376 12.164 1.00 0.90 C ATOM 1899 C ASP A 127 1.772 6.140 11.674 1.00 0.78 C ATOM 1900 O ASP A 127 2.581 5.509 12.342 1.00 0.81 O ATOM 1901 CB ASP A 127 -0.632 5.516 11.364 1.00 1.02 C ATOM 1902 CG ASP A 127 -0.151 4.072 11.407 1.00 1.35 C ATOM 1903 OD1 ASP A 127 -0.362 3.444 12.464 1.00 2.91 O ATOM 1904 OD2 ASP A 127 0.490 3.669 10.413 1.00 1.63 O ATOM 0 H ASP A 127 -0.709 8.014 11.393 1.00 0.83 H new ATOM 0 HA ASP A 127 0.260 6.084 13.210 1.00 0.90 H new ATOM 0 HB2 ASP A 127 -1.635 5.594 11.784 1.00 1.02 H new ATOM 0 HB3 ASP A 127 -0.690 5.866 10.333 1.00 1.02 H new ATOM 1909 N LEU A 128 2.089 6.710 10.513 1.00 0.68 N ATOM 1910 CA LEU A 128 3.385 6.563 9.871 1.00 0.59 C ATOM 1911 C LEU A 128 4.488 7.104 10.780 1.00 0.54 C ATOM 1912 O LEU A 128 5.545 6.487 10.916 1.00 0.51 O ATOM 1913 CB LEU A 128 3.370 7.240 8.499 1.00 0.58 C ATOM 1914 CG LEU A 128 2.354 6.564 7.565 1.00 0.79 C ATOM 1915 CD1 LEU A 128 2.198 7.407 6.307 1.00 0.92 C ATOM 1916 CD2 LEU A 128 2.791 5.163 7.118 1.00 0.86 C ATOM 0 H LEU A 128 1.440 7.295 9.987 1.00 0.68 H new ATOM 0 HA LEU A 128 3.596 5.506 9.707 1.00 0.59 H new ATOM 0 HB2 LEU A 128 3.120 8.295 8.612 1.00 0.58 H new ATOM 0 HB3 LEU A 128 4.365 7.194 8.055 1.00 0.58 H new ATOM 0 HG LEU A 128 1.424 6.475 8.127 1.00 0.79 H new ATOM 0 HD11 LEU A 128 1.478 6.934 5.639 1.00 0.92 H new ATOM 0 HD12 LEU A 128 1.843 8.401 6.577 1.00 0.92 H new ATOM 0 HD13 LEU A 128 3.161 7.490 5.803 1.00 0.92 H new ATOM 0 HD21 LEU A 128 2.033 4.738 6.461 1.00 0.86 H new ATOM 0 HD22 LEU A 128 3.738 5.231 6.583 1.00 0.86 H new ATOM 0 HD23 LEU A 128 2.913 4.524 7.992 1.00 0.86 H new ATOM 1928 N LYS A 129 4.234 8.245 11.424 1.00 0.58 N ATOM 1929 CA LYS A 129 5.121 8.783 12.437 1.00 0.63 C ATOM 1930 C LYS A 129 5.288 7.792 13.594 1.00 0.71 C ATOM 1931 O LYS A 129 6.419 7.500 13.971 1.00 0.78 O ATOM 1932 CB LYS A 129 4.647 10.166 12.900 1.00 0.75 C ATOM 1933 CG LYS A 129 4.804 11.203 11.776 1.00 0.73 C ATOM 1934 CD LYS A 129 4.949 12.607 12.371 1.00 0.61 C ATOM 1935 CE LYS A 129 4.862 13.678 11.275 1.00 2.04 C ATOM 1936 NZ LYS A 129 4.858 15.041 11.845 1.00 3.60 N ATOM 0 H LYS A 129 3.406 8.816 11.252 1.00 0.58 H new ATOM 0 HA LYS A 129 6.110 8.924 12.001 1.00 0.63 H new ATOM 0 HB2 LYS A 129 3.603 10.113 13.208 1.00 0.75 H new ATOM 0 HB3 LYS A 129 5.221 10.479 13.772 1.00 0.75 H new ATOM 0 HG2 LYS A 129 5.678 10.964 11.170 1.00 0.73 H new ATOM 0 HG3 LYS A 129 3.938 11.168 11.115 1.00 0.73 H new ATOM 0 HD2 LYS A 129 4.167 12.775 13.112 1.00 0.61 H new ATOM 0 HD3 LYS A 129 5.904 12.689 12.891 1.00 0.61 H new ATOM 0 HE2 LYS A 129 5.706 13.571 10.593 1.00 2.04 H new ATOM 0 HE3 LYS A 129 3.956 13.526 10.688 1.00 2.04 H new ATOM 0 HZ1 LYS A 129 4.248 15.656 11.270 1.00 3.60 H new ATOM 0 HZ2 LYS A 129 4.497 15.009 12.820 1.00 3.60 H new ATOM 0 HZ3 LYS A 129 5.827 15.419 11.847 1.00 3.60 H new ATOM 1950 N GLU A 130 4.202 7.241 14.143 1.00 0.77 N ATOM 1951 CA GLU A 130 4.342 6.248 15.210 1.00 0.88 C ATOM 1952 C GLU A 130 5.188 5.059 14.727 1.00 0.80 C ATOM 1953 O GLU A 130 6.128 4.623 15.391 1.00 0.90 O ATOM 1954 CB GLU A 130 2.954 5.801 15.709 1.00 1.01 C ATOM 1955 CG GLU A 130 2.812 5.959 17.230 1.00 1.47 C ATOM 1956 CD GLU A 130 3.667 4.974 18.026 1.00 2.53 C ATOM 1957 OE1 GLU A 130 3.567 3.757 17.751 1.00 3.10 O ATOM 1958 OE2 GLU A 130 4.392 5.452 18.924 1.00 3.72 O ATOM 0 H GLU A 130 3.242 7.458 13.876 1.00 0.77 H new ATOM 0 HA GLU A 130 4.865 6.700 16.053 1.00 0.88 H new ATOM 0 HB2 GLU A 130 2.183 6.388 15.210 1.00 1.01 H new ATOM 0 HB3 GLU A 130 2.789 4.759 15.436 1.00 1.01 H new ATOM 0 HG2 GLU A 130 3.088 6.976 17.509 1.00 1.47 H new ATOM 0 HG3 GLU A 130 1.766 5.825 17.505 1.00 1.47 H new ATOM 1965 N ALA A 131 4.876 4.557 13.532 1.00 0.67 N ATOM 1966 CA ALA A 131 5.498 3.385 12.950 1.00 0.57 C ATOM 1967 C ALA A 131 6.998 3.609 12.788 1.00 0.51 C ATOM 1968 O ALA A 131 7.802 2.798 13.244 1.00 0.58 O ATOM 1969 CB ALA A 131 4.825 3.057 11.614 1.00 0.57 C ATOM 0 H ALA A 131 4.163 4.972 12.932 1.00 0.67 H new ATOM 0 HA ALA A 131 5.366 2.531 13.614 1.00 0.57 H new ATOM 0 HB1 ALA A 131 5.294 2.175 11.177 1.00 0.57 H new ATOM 0 HB2 ALA A 131 3.766 2.861 11.779 1.00 0.57 H new ATOM 0 HB3 ALA A 131 4.936 3.901 10.934 1.00 0.57 H new ATOM 1975 N VAL A 132 7.400 4.702 12.136 1.00 0.48 N ATOM 1976 CA VAL A 132 8.803 4.976 11.918 1.00 0.54 C ATOM 1977 C VAL A 132 9.504 5.242 13.253 1.00 0.68 C ATOM 1978 O VAL A 132 10.651 4.824 13.430 1.00 0.79 O ATOM 1979 CB VAL A 132 8.953 6.102 10.889 1.00 0.52 C ATOM 1980 CG1 VAL A 132 8.739 7.470 11.540 1.00 1.36 C ATOM 1981 CG2 VAL A 132 10.325 5.989 10.216 1.00 1.50 C ATOM 0 H VAL A 132 6.767 5.405 11.754 1.00 0.48 H new ATOM 0 HA VAL A 132 9.304 4.106 11.493 1.00 0.54 H new ATOM 0 HB VAL A 132 8.186 6.002 10.121 1.00 0.52 H new ATOM 0 HG11 VAL A 132 8.851 8.252 10.789 1.00 1.36 H new ATOM 0 HG12 VAL A 132 7.737 7.517 11.967 1.00 1.36 H new ATOM 0 HG13 VAL A 132 9.477 7.617 12.329 1.00 1.36 H new ATOM 0 HG21 VAL A 132 10.437 6.788 9.483 1.00 1.50 H new ATOM 0 HG22 VAL A 132 11.108 6.075 10.969 1.00 1.50 H new ATOM 0 HG23 VAL A 132 10.407 5.024 9.716 1.00 1.50 H new ATOM 1991 N ASP A 133 8.810 5.874 14.211 1.00 0.75 N ATOM 1992 CA ASP A 133 9.368 6.057 15.542 1.00 0.98 C ATOM 1993 C ASP A 133 9.720 4.689 16.130 1.00 0.99 C ATOM 1994 O ASP A 133 10.839 4.448 16.575 1.00 1.15 O ATOM 1995 CB ASP A 133 8.418 6.847 16.451 1.00 1.14 C ATOM 1996 CG ASP A 133 9.186 7.536 17.570 1.00 2.18 C ATOM 1997 OD1 ASP A 133 9.694 6.806 18.446 1.00 3.57 O ATOM 1998 OD2 ASP A 133 9.263 8.783 17.518 1.00 2.19 O ATOM 0 H ASP A 133 7.874 6.259 14.084 1.00 0.75 H new ATOM 0 HA ASP A 133 10.278 6.652 15.469 1.00 0.98 H new ATOM 0 HB2 ASP A 133 7.879 7.590 15.863 1.00 1.14 H new ATOM 0 HB3 ASP A 133 7.672 6.175 16.876 1.00 1.14 H new ATOM 2003 N LYS A 134 8.788 3.742 15.999 1.00 0.87 N ATOM 2004 CA LYS A 134 8.963 2.345 16.380 1.00 0.84 C ATOM 2005 C LYS A 134 10.152 1.667 15.673 1.00 0.82 C ATOM 2006 O LYS A 134 10.703 0.705 16.203 1.00 1.01 O ATOM 2007 CB LYS A 134 7.638 1.595 16.143 1.00 0.76 C ATOM 2008 CG LYS A 134 7.304 0.590 17.251 1.00 1.28 C ATOM 2009 CD LYS A 134 5.792 0.308 17.222 1.00 1.41 C ATOM 2010 CE LYS A 134 5.339 -0.629 18.348 1.00 2.29 C ATOM 2011 NZ LYS A 134 5.525 -0.018 19.681 1.00 3.23 N ATOM 0 H LYS A 134 7.864 3.936 15.613 1.00 0.87 H new ATOM 0 HA LYS A 134 9.215 2.307 17.440 1.00 0.84 H new ATOM 0 HB2 LYS A 134 6.828 2.320 16.063 1.00 0.76 H new ATOM 0 HB3 LYS A 134 7.691 1.070 15.189 1.00 0.76 H new ATOM 0 HG2 LYS A 134 7.864 -0.334 17.104 1.00 1.28 H new ATOM 0 HG3 LYS A 134 7.595 0.988 18.223 1.00 1.28 H new ATOM 0 HD2 LYS A 134 5.250 1.250 17.300 1.00 1.41 H new ATOM 0 HD3 LYS A 134 5.528 -0.133 16.261 1.00 1.41 H new ATOM 0 HE2 LYS A 134 4.288 -0.883 18.208 1.00 2.29 H new ATOM 0 HE3 LYS A 134 5.902 -1.561 18.294 1.00 2.29 H new ATOM 0 HZ1 LYS A 134 5.085 -0.622 20.404 1.00 3.23 H new ATOM 0 HZ2 LYS A 134 6.541 0.077 19.881 1.00 3.23 H new ATOM 0 HZ3 LYS A 134 5.080 0.922 19.697 1.00 3.23 H new ATOM 2025 N LEU A 135 10.549 2.144 14.486 1.00 0.74 N ATOM 2026 CA LEU A 135 11.748 1.698 13.777 1.00 0.76 C ATOM 2027 C LEU A 135 13.007 2.444 14.243 1.00 0.96 C ATOM 2028 O LEU A 135 14.115 1.978 13.980 1.00 1.16 O ATOM 2029 CB LEU A 135 11.544 1.850 12.259 1.00 0.71 C ATOM 2030 CG LEU A 135 10.951 0.612 11.569 1.00 0.69 C ATOM 2031 CD1 LEU A 135 12.046 -0.440 11.349 1.00 0.73 C ATOM 2032 CD2 LEU A 135 9.755 0.020 12.326 1.00 1.00 C ATOM 0 H LEU A 135 10.032 2.866 13.984 1.00 0.74 H new ATOM 0 HA LEU A 135 11.905 0.645 14.011 1.00 0.76 H new ATOM 0 HB2 LEU A 135 10.888 2.701 12.077 1.00 0.71 H new ATOM 0 HB3 LEU A 135 12.504 2.083 11.798 1.00 0.71 H new ATOM 0 HG LEU A 135 10.564 0.933 10.602 1.00 0.69 H new ATOM 0 HD11 LEU A 135 11.617 -1.314 10.859 1.00 0.73 H new ATOM 0 HD12 LEU A 135 12.832 -0.021 10.721 1.00 0.73 H new ATOM 0 HD13 LEU A 135 12.468 -0.733 12.311 1.00 0.73 H new ATOM 0 HD21 LEU A 135 9.380 -0.852 11.789 1.00 1.00 H new ATOM 0 HD22 LEU A 135 10.069 -0.277 13.327 1.00 1.00 H new ATOM 0 HD23 LEU A 135 8.965 0.768 12.400 1.00 1.00 H new ATOM 2044 N GLY A 136 12.850 3.573 14.936 1.00 0.98 N ATOM 2045 CA GLY A 136 13.933 4.313 15.565 1.00 1.16 C ATOM 2046 C GLY A 136 14.501 5.398 14.654 1.00 1.09 C ATOM 2047 O GLY A 136 15.693 5.691 14.730 1.00 1.23 O ATOM 0 H GLY A 136 11.937 4.006 15.076 1.00 0.98 H new ATOM 0 HA2 GLY A 136 13.571 4.769 16.487 1.00 1.16 H new ATOM 0 HA3 GLY A 136 14.729 3.622 15.842 1.00 1.16 H new ATOM 2051 N TYR A 137 13.661 6.013 13.813 1.00 0.92 N ATOM 2052 CA TYR A 137 14.021 7.160 12.979 1.00 0.89 C ATOM 2053 C TYR A 137 12.836 8.125 12.998 1.00 0.89 C ATOM 2054 O TYR A 137 11.794 7.767 13.545 1.00 1.10 O ATOM 2055 CB TYR A 137 14.338 6.706 11.545 1.00 0.88 C ATOM 2056 CG TYR A 137 15.174 5.442 11.454 1.00 0.90 C ATOM 2057 CD1 TYR A 137 16.518 5.447 11.875 1.00 2.02 C ATOM 2058 CD2 TYR A 137 14.542 4.220 11.163 1.00 2.01 C ATOM 2059 CE1 TYR A 137 17.190 4.233 12.097 1.00 2.01 C ATOM 2060 CE2 TYR A 137 15.230 3.009 11.343 1.00 2.00 C ATOM 2061 CZ TYR A 137 16.522 3.014 11.890 1.00 0.87 C ATOM 2062 OH TYR A 137 17.130 1.834 12.194 1.00 0.88 O ATOM 0 H TYR A 137 12.692 5.719 13.693 1.00 0.92 H new ATOM 0 HA TYR A 137 14.915 7.651 13.363 1.00 0.89 H new ATOM 0 HB2 TYR A 137 13.400 6.545 11.013 1.00 0.88 H new ATOM 0 HB3 TYR A 137 14.863 7.511 11.030 1.00 0.88 H new ATOM 0 HD1 TYR A 137 17.032 6.384 12.027 1.00 2.02 H new ATOM 0 HD2 TYR A 137 13.525 4.213 10.800 1.00 2.01 H new ATOM 0 HE1 TYR A 137 18.219 4.237 12.426 1.00 2.01 H new ATOM 0 HE2 TYR A 137 14.765 2.076 11.061 1.00 2.00 H new ATOM 0 HH TYR A 137 16.524 1.091 11.989 1.00 0.88 H new ATOM 2072 N LYS A 138 12.957 9.321 12.406 1.00 0.77 N ATOM 2073 CA LYS A 138 11.850 10.268 12.358 1.00 0.77 C ATOM 2074 C LYS A 138 11.566 10.646 10.905 1.00 0.66 C ATOM 2075 O LYS A 138 12.499 10.777 10.104 1.00 0.68 O ATOM 2076 CB LYS A 138 12.148 11.484 13.241 1.00 0.91 C ATOM 2077 CG LYS A 138 13.112 12.440 12.544 1.00 1.02 C ATOM 2078 CD LYS A 138 13.696 13.471 13.510 1.00 1.56 C ATOM 2079 CE LYS A 138 13.683 14.853 12.842 1.00 2.56 C ATOM 2080 NZ LYS A 138 14.735 15.757 13.345 1.00 3.37 N ATOM 0 H LYS A 138 13.812 9.649 11.956 1.00 0.77 H new ATOM 0 HA LYS A 138 10.947 9.808 12.760 1.00 0.77 H new ATOM 0 HB2 LYS A 138 11.219 12.004 13.476 1.00 0.91 H new ATOM 0 HB3 LYS A 138 12.577 11.155 14.188 1.00 0.91 H new ATOM 0 HG2 LYS A 138 13.922 11.870 12.089 1.00 1.02 H new ATOM 0 HG3 LYS A 138 12.592 12.954 11.736 1.00 1.02 H new ATOM 0 HD2 LYS A 138 13.114 13.494 14.432 1.00 1.56 H new ATOM 0 HD3 LYS A 138 14.715 13.195 13.783 1.00 1.56 H new ATOM 0 HE2 LYS A 138 13.805 14.729 11.766 1.00 2.56 H new ATOM 0 HE3 LYS A 138 12.709 15.316 13.002 1.00 2.56 H new ATOM 0 HZ1 LYS A 138 15.149 16.284 12.550 1.00 3.37 H new ATOM 0 HZ2 LYS A 138 14.322 16.426 14.026 1.00 3.37 H new ATOM 0 HZ3 LYS A 138 15.477 15.199 13.815 1.00 3.37 H new ATOM 2094 N LEU A 139 10.285 10.855 10.588 1.00 0.62 N ATOM 2095 CA LEU A 139 9.850 11.356 9.296 1.00 0.59 C ATOM 2096 C LEU A 139 9.531 12.842 9.383 1.00 0.67 C ATOM 2097 O LEU A 139 9.046 13.329 10.405 1.00 0.81 O ATOM 2098 CB LEU A 139 8.625 10.592 8.788 1.00 0.77 C ATOM 2099 CG LEU A 139 8.987 9.177 8.330 1.00 0.52 C ATOM 2100 CD1 LEU A 139 7.702 8.380 8.116 1.00 1.36 C ATOM 2101 CD2 LEU A 139 9.801 9.147 7.042 1.00 1.24 C ATOM 0 H LEU A 139 9.517 10.676 11.235 1.00 0.62 H new ATOM 0 HA LEU A 139 10.666 11.204 8.590 1.00 0.59 H new ATOM 0 HB2 LEU A 139 7.877 10.538 9.579 1.00 0.77 H new ATOM 0 HB3 LEU A 139 8.174 11.138 7.959 1.00 0.77 H new ATOM 0 HG LEU A 139 9.607 8.740 9.113 1.00 0.52 H new ATOM 0 HD11 LEU A 139 7.950 7.370 7.789 1.00 1.36 H new ATOM 0 HD12 LEU A 139 7.144 8.332 9.051 1.00 1.36 H new ATOM 0 HD13 LEU A 139 7.094 8.868 7.355 1.00 1.36 H new ATOM 0 HD21 LEU A 139 10.022 8.114 6.776 1.00 1.24 H new ATOM 0 HD22 LEU A 139 9.230 9.614 6.240 1.00 1.24 H new ATOM 0 HD23 LEU A 139 10.734 9.692 7.188 1.00 1.24 H new ATOM 2113 N LYS A 140 9.774 13.538 8.277 1.00 0.63 N ATOM 2114 CA LYS A 140 9.361 14.909 8.041 1.00 0.65 C ATOM 2115 C LYS A 140 8.502 14.960 6.785 1.00 0.55 C ATOM 2116 O LYS A 140 8.544 14.050 5.963 1.00 0.59 O ATOM 2117 CB LYS A 140 10.589 15.800 7.864 1.00 0.71 C ATOM 2118 CG LYS A 140 11.201 16.213 9.206 1.00 0.91 C ATOM 2119 CD LYS A 140 11.866 17.580 9.021 1.00 1.70 C ATOM 2120 CE LYS A 140 12.281 18.176 10.367 1.00 1.91 C ATOM 2121 NZ LYS A 140 12.866 19.522 10.201 1.00 2.52 N ATOM 0 H LYS A 140 10.286 13.141 7.489 1.00 0.63 H new ATOM 0 HA LYS A 140 8.786 15.269 8.894 1.00 0.65 H new ATOM 0 HB2 LYS A 140 11.337 15.272 7.272 1.00 0.71 H new ATOM 0 HB3 LYS A 140 10.311 16.692 7.303 1.00 0.71 H new ATOM 0 HG2 LYS A 140 10.431 16.265 9.976 1.00 0.91 H new ATOM 0 HG3 LYS A 140 11.932 15.475 9.535 1.00 0.91 H new ATOM 0 HD2 LYS A 140 12.741 17.478 8.379 1.00 1.70 H new ATOM 0 HD3 LYS A 140 11.177 18.258 8.516 1.00 1.70 H new ATOM 0 HE2 LYS A 140 11.414 18.233 11.025 1.00 1.91 H new ATOM 0 HE3 LYS A 140 13.005 17.520 10.850 1.00 1.91 H new ATOM 0 HZ1 LYS A 140 13.137 19.900 11.131 1.00 2.52 H new ATOM 0 HZ2 LYS A 140 13.707 19.462 9.593 1.00 2.52 H new ATOM 0 HZ3 LYS A 140 12.166 20.153 9.762 1.00 2.52 H new ATOM 2135 N LEU A 141 7.712 16.021 6.639 1.00 0.54 N ATOM 2136 CA LEU A 141 6.790 16.167 5.532 1.00 0.56 C ATOM 2137 C LEU A 141 7.489 16.924 4.402 1.00 0.51 C ATOM 2138 O LEU A 141 8.186 17.903 4.671 1.00 0.69 O ATOM 2139 CB LEU A 141 5.519 16.899 5.988 1.00 0.78 C ATOM 2140 CG LEU A 141 4.840 16.375 7.273 1.00 1.24 C ATOM 2141 CD1 LEU A 141 4.784 14.843 7.368 1.00 1.46 C ATOM 2142 CD2 LEU A 141 5.442 16.965 8.556 1.00 3.42 C ATOM 0 H LEU A 141 7.699 16.804 7.293 1.00 0.54 H new ATOM 0 HA LEU A 141 6.489 15.184 5.168 1.00 0.56 H new ATOM 0 HB2 LEU A 141 5.767 17.950 6.138 1.00 0.78 H new ATOM 0 HB3 LEU A 141 4.792 16.856 5.177 1.00 0.78 H new ATOM 0 HG LEU A 141 3.813 16.729 7.188 1.00 1.24 H new ATOM 0 HD11 LEU A 141 4.293 14.554 8.297 1.00 1.46 H new ATOM 0 HD12 LEU A 141 4.222 14.446 6.522 1.00 1.46 H new ATOM 0 HD13 LEU A 141 5.797 14.440 7.352 1.00 1.46 H new ATOM 0 HD21 LEU A 141 4.922 16.557 9.423 1.00 3.42 H new ATOM 0 HD22 LEU A 141 6.500 16.708 8.613 1.00 3.42 H new ATOM 0 HD23 LEU A 141 5.333 18.049 8.544 1.00 3.42 H new ATOM 2154 N LYS A 142 7.286 16.529 3.138 1.00 0.54 N ATOM 2155 CA LYS A 142 7.869 17.264 2.021 1.00 0.70 C ATOM 2156 C LYS A 142 7.009 18.495 1.765 1.00 0.88 C ATOM 2157 O LYS A 142 6.181 18.535 0.859 1.00 1.09 O ATOM 2158 CB LYS A 142 7.939 16.402 0.757 1.00 0.97 C ATOM 2159 CG LYS A 142 8.985 15.290 0.858 1.00 1.48 C ATOM 2160 CD LYS A 142 10.421 15.759 0.587 1.00 1.11 C ATOM 2161 CE LYS A 142 10.800 15.763 -0.905 1.00 2.07 C ATOM 2162 NZ LYS A 142 10.300 16.931 -1.660 1.00 2.98 N ATOM 0 H LYS A 142 6.730 15.716 2.871 1.00 0.54 H new ATOM 0 HA LYS A 142 8.890 17.551 2.274 1.00 0.70 H new ATOM 0 HB2 LYS A 142 6.961 15.959 0.570 1.00 0.97 H new ATOM 0 HB3 LYS A 142 8.171 17.037 -0.098 1.00 0.97 H new ATOM 0 HG2 LYS A 142 8.939 14.851 1.855 1.00 1.48 H new ATOM 0 HG3 LYS A 142 8.731 14.501 0.150 1.00 1.48 H new ATOM 0 HD2 LYS A 142 10.547 16.765 0.987 1.00 1.11 H new ATOM 0 HD3 LYS A 142 11.113 15.112 1.127 1.00 1.11 H new ATOM 0 HE2 LYS A 142 11.886 15.728 -0.991 1.00 2.07 H new ATOM 0 HE3 LYS A 142 10.414 14.855 -1.368 1.00 2.07 H new ATOM 0 HZ1 LYS A 142 10.866 17.054 -2.524 1.00 2.98 H new ATOM 0 HZ2 LYS A 142 9.304 16.778 -1.918 1.00 2.98 H new ATOM 0 HZ3 LYS A 142 10.378 17.784 -1.071 1.00 2.98 H new