USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 9 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3.6!) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= -0.0107 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= 0 F(o=-3.3,f=-1.4) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -1.43! F(o=-3.3,f=-1.4!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -145:sc= -0.789 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= -1.83! (180deg=-3.56!) USER MOD Single : A 21 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -148:sc= -3.68! (180deg=-7.67!) USER MOD Single : A 79 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 88 THR OG1 : rot 37:sc= -0.717 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.54) USER MOD Single : A 116 SER OG : rot 130:sc= -1.2! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.337 7.901 -9.463 1.00 1.14 N ATOM 15 CA ILE A 3 0.123 7.562 -8.122 1.00 0.94 C ATOM 16 C ILE A 3 0.929 6.264 -8.133 1.00 0.83 C ATOM 17 O ILE A 3 1.331 5.786 -9.195 1.00 0.91 O ATOM 18 CB ILE A 3 -1.060 7.438 -7.137 1.00 0.91 C ATOM 19 CG1 ILE A 3 -1.834 6.137 -7.367 1.00 1.01 C ATOM 20 CG2 ILE A 3 -1.988 8.636 -7.277 1.00 1.16 C ATOM 21 CD1 ILE A 3 -2.402 6.008 -8.763 1.00 1.12 C ATOM 0 HA ILE A 3 0.768 8.374 -7.785 1.00 0.94 H new ATOM 0 HB ILE A 3 -0.658 7.417 -6.124 1.00 0.91 H new ATOM 0 HG12 ILE A 3 -1.173 5.292 -7.173 1.00 1.01 H new ATOM 0 HG13 ILE A 3 -2.649 6.076 -6.645 1.00 1.01 H new ATOM 0 HG21 ILE A 3 -2.818 8.537 -6.577 1.00 1.16 H new ATOM 0 HG22 ILE A 3 -1.437 9.551 -7.059 1.00 1.16 H new ATOM 0 HG23 ILE A 3 -2.375 8.680 -8.295 1.00 1.16 H new ATOM 0 HD11 ILE A 3 -2.937 5.062 -8.852 1.00 1.12 H new ATOM 0 HD12 ILE A 3 -3.089 6.833 -8.954 1.00 1.12 H new ATOM 0 HD13 ILE A 3 -1.590 6.036 -9.490 1.00 1.12 H new ATOM 33 N GLU A 4 1.168 5.698 -6.953 1.00 0.72 N ATOM 34 CA GLU A 4 1.933 4.459 -6.850 1.00 0.68 C ATOM 35 C GLU A 4 1.600 3.700 -5.566 1.00 0.61 C ATOM 36 O GLU A 4 1.159 4.287 -4.576 1.00 0.61 O ATOM 37 CB GLU A 4 3.433 4.760 -6.904 1.00 0.77 C ATOM 38 CG GLU A 4 4.051 4.523 -8.273 1.00 1.24 C ATOM 39 CD GLU A 4 5.411 5.175 -8.418 1.00 1.43 C ATOM 40 OE1 GLU A 4 6.068 5.417 -7.383 1.00 1.98 O ATOM 41 OE2 GLU A 4 5.821 5.444 -9.567 1.00 2.07 O ATOM 0 H GLU A 4 0.846 6.074 -6.061 1.00 0.72 H new ATOM 0 HA GLU A 4 1.659 3.827 -7.695 1.00 0.68 H new ATOM 0 HB2 GLU A 4 3.598 5.798 -6.615 1.00 0.77 H new ATOM 0 HB3 GLU A 4 3.947 4.139 -6.170 1.00 0.77 H new ATOM 0 HG2 GLU A 4 4.146 3.451 -8.444 1.00 1.24 H new ATOM 0 HG3 GLU A 4 3.382 4.911 -9.042 1.00 1.24 H new ATOM 48 N TRP A 5 1.826 2.389 -5.596 1.00 0.59 N ATOM 49 CA TRP A 5 1.563 1.535 -4.443 1.00 0.58 C ATOM 50 C TRP A 5 2.836 1.313 -3.636 1.00 0.55 C ATOM 51 O TRP A 5 3.645 0.443 -3.962 1.00 0.64 O ATOM 52 CB TRP A 5 1.002 0.185 -4.897 1.00 0.66 C ATOM 53 CG TRP A 5 -0.408 0.257 -5.395 1.00 0.71 C ATOM 54 CD1 TRP A 5 -0.813 0.400 -6.691 1.00 0.77 C ATOM 55 CD2 TRP A 5 -1.600 0.183 -4.607 1.00 0.75 C ATOM 56 NE1 TRP A 5 -2.185 0.419 -6.756 1.00 0.85 N ATOM 57 CE2 TRP A 5 -2.692 0.289 -5.490 1.00 0.84 C ATOM 58 CE3 TRP A 5 -1.852 0.038 -3.240 1.00 0.77 C ATOM 59 CZ2 TRP A 5 -4.013 0.254 -5.050 1.00 0.94 C ATOM 60 CZ3 TRP A 5 -3.162 0.004 -2.804 1.00 0.87 C ATOM 61 CH2 TRP A 5 -4.228 0.111 -3.706 1.00 0.95 C ATOM 0 H TRP A 5 2.192 1.895 -6.410 1.00 0.59 H new ATOM 0 HA TRP A 5 0.828 2.035 -3.812 1.00 0.58 H new ATOM 0 HB2 TRP A 5 1.637 -0.215 -5.687 1.00 0.66 H new ATOM 0 HB3 TRP A 5 1.049 -0.517 -4.064 1.00 0.66 H new ATOM 0 HD1 TRP A 5 -0.152 0.486 -7.541 1.00 0.77 H new ATOM 0 HE1 TRP A 5 -2.737 0.514 -7.609 1.00 0.85 H new ATOM 0 HE3 TRP A 5 -1.037 -0.046 -2.537 1.00 0.77 H new ATOM 0 HZ2 TRP A 5 -4.837 0.337 -5.743 1.00 0.94 H new ATOM 0 HZ3 TRP A 5 -3.368 -0.107 -1.750 1.00 0.87 H new ATOM 0 HH2 TRP A 5 -5.241 0.080 -3.333 1.00 0.95 H new ATOM 72 N TYR A 6 3.013 2.103 -2.584 1.00 0.55 N ATOM 73 CA TYR A 6 4.193 1.987 -1.736 1.00 0.55 C ATOM 74 C TYR A 6 3.987 0.934 -0.653 1.00 0.57 C ATOM 75 O TYR A 6 3.106 1.065 0.197 1.00 0.62 O ATOM 76 CB TYR A 6 4.522 3.339 -1.101 1.00 0.58 C ATOM 77 CG TYR A 6 5.305 4.255 -2.013 1.00 0.61 C ATOM 78 CD1 TYR A 6 4.974 4.374 -3.357 1.00 1.32 C ATOM 79 CD2 TYR A 6 6.375 4.999 -1.532 1.00 1.37 C ATOM 80 CE1 TYR A 6 5.688 5.208 -4.197 1.00 1.36 C ATOM 81 CE2 TYR A 6 7.093 5.835 -2.365 1.00 1.43 C ATOM 82 CZ TYR A 6 6.746 5.936 -3.696 1.00 0.78 C ATOM 83 OH TYR A 6 7.460 6.767 -4.528 1.00 0.90 O ATOM 0 H TYR A 6 2.356 2.829 -2.298 1.00 0.55 H new ATOM 0 HA TYR A 6 5.030 1.674 -2.360 1.00 0.55 H new ATOM 0 HB2 TYR A 6 3.594 3.832 -0.813 1.00 0.58 H new ATOM 0 HB3 TYR A 6 5.093 3.174 -0.187 1.00 0.58 H new ATOM 0 HD1 TYR A 6 4.145 3.805 -3.752 1.00 1.32 H new ATOM 0 HD2 TYR A 6 6.650 4.923 -0.490 1.00 1.37 H new ATOM 0 HE1 TYR A 6 5.419 5.289 -5.240 1.00 1.36 H new ATOM 0 HE2 TYR A 6 7.922 6.407 -1.976 1.00 1.43 H new ATOM 0 HH TYR A 6 8.171 7.208 -4.018 1.00 0.90 H new ATOM 93 N ALA A 7 4.805 -0.113 -0.694 1.00 0.59 N ATOM 94 CA ALA A 7 4.712 -1.193 0.281 1.00 0.63 C ATOM 95 C ALA A 7 5.649 -0.952 1.460 1.00 0.63 C ATOM 96 O ALA A 7 6.721 -0.369 1.307 1.00 0.71 O ATOM 97 CB ALA A 7 5.027 -2.526 -0.380 1.00 0.72 C ATOM 0 H ALA A 7 5.539 -0.236 -1.391 1.00 0.59 H new ATOM 0 HA ALA A 7 3.691 -1.219 0.662 1.00 0.63 H new ATOM 0 HB1 ALA A 7 4.954 -3.324 0.358 1.00 0.72 H new ATOM 0 HB2 ALA A 7 4.315 -2.710 -1.185 1.00 0.72 H new ATOM 0 HB3 ALA A 7 6.037 -2.500 -0.788 1.00 0.72 H new ATOM 103 N VAL A 8 5.234 -1.409 2.638 1.00 0.64 N ATOM 104 CA VAL A 8 6.035 -1.246 3.846 1.00 0.66 C ATOM 105 C VAL A 8 6.091 -2.543 4.644 1.00 0.70 C ATOM 106 O VAL A 8 5.248 -3.425 4.474 1.00 0.80 O ATOM 107 CB VAL A 8 5.477 -0.126 4.746 1.00 0.70 C ATOM 108 CG1 VAL A 8 6.458 0.203 5.860 1.00 1.59 C ATOM 109 CG2 VAL A 8 5.158 1.112 3.924 1.00 1.69 C ATOM 0 H VAL A 8 4.349 -1.895 2.781 1.00 0.64 H new ATOM 0 HA VAL A 8 7.041 -0.974 3.525 1.00 0.66 H new ATOM 0 HB VAL A 8 4.552 -0.479 5.201 1.00 0.70 H new ATOM 0 HG11 VAL A 8 6.047 0.996 6.485 1.00 1.59 H new ATOM 0 HG12 VAL A 8 6.630 -0.685 6.468 1.00 1.59 H new ATOM 0 HG13 VAL A 8 7.402 0.535 5.427 1.00 1.59 H new ATOM 0 HG21 VAL A 8 4.765 1.891 4.577 1.00 1.69 H new ATOM 0 HG22 VAL A 8 6.066 1.470 3.438 1.00 1.69 H new ATOM 0 HG23 VAL A 8 4.414 0.864 3.167 1.00 1.69 H new ATOM 119 N HIS A 9 7.089 -2.657 5.514 1.00 0.72 N ATOM 120 CA HIS A 9 7.253 -3.849 6.337 1.00 0.81 C ATOM 121 C HIS A 9 6.759 -3.604 7.759 1.00 0.78 C ATOM 122 O HIS A 9 6.819 -2.483 8.264 1.00 0.91 O ATOM 123 CB HIS A 9 8.722 -4.277 6.360 1.00 1.04 C ATOM 124 CG HIS A 9 9.144 -5.033 5.139 1.00 0.99 C ATOM 125 ND1 HIS A 9 9.685 -6.300 5.186 1.00 1.27 N ATOM 126 CD2 HIS A 9 9.099 -4.693 3.828 1.00 0.91 C ATOM 127 CE1 HIS A 9 9.956 -6.706 3.958 1.00 1.36 C ATOM 128 NE2 HIS A 9 9.610 -5.751 3.117 1.00 1.14 N ATOM 0 H HIS A 9 7.796 -1.938 5.667 1.00 0.72 H new ATOM 0 HA HIS A 9 6.654 -4.648 5.899 1.00 0.81 H new ATOM 0 HB2 HIS A 9 9.349 -3.391 6.463 1.00 1.04 H new ATOM 0 HB3 HIS A 9 8.898 -4.896 7.240 1.00 1.04 H new ATOM 0 HD2 HIS A 9 8.730 -3.764 3.419 1.00 0.91 H new ATOM 0 HE1 HIS A 9 10.388 -7.659 3.689 1.00 1.36 H new ATOM 0 HE2 HIS A 9 9.706 -5.792 2.102 1.00 1.14 H new ATOM 137 N THR A 10 6.271 -4.662 8.398 1.00 0.83 N ATOM 138 CA THR A 10 5.765 -4.565 9.763 1.00 0.89 C ATOM 139 C THR A 10 5.929 -5.892 10.499 1.00 1.02 C ATOM 140 O THR A 10 6.472 -6.853 9.953 1.00 1.11 O ATOM 141 CB THR A 10 4.293 -4.152 9.755 1.00 0.91 C ATOM 142 OG1 THR A 10 3.488 -5.173 9.194 1.00 0.98 O ATOM 143 CG2 THR A 10 4.033 -2.881 8.976 1.00 0.95 C ATOM 0 H THR A 10 6.215 -5.596 7.993 1.00 0.83 H new ATOM 0 HA THR A 10 6.345 -3.805 10.286 1.00 0.89 H new ATOM 0 HB THR A 10 4.036 -3.978 10.800 1.00 0.91 H new ATOM 0 HG1 THR A 10 2.748 -4.769 8.695 1.00 0.98 H new ATOM 0 HG21 THR A 10 2.970 -2.644 9.010 1.00 0.95 H new ATOM 0 HG22 THR A 10 4.601 -2.062 9.416 1.00 0.95 H new ATOM 0 HG23 THR A 10 4.341 -3.020 7.940 1.00 0.95 H new ATOM 151 N LEU A 11 5.456 -5.937 11.740 1.00 1.10 N ATOM 152 CA LEU A 11 5.550 -7.146 12.550 1.00 1.24 C ATOM 153 C LEU A 11 4.321 -8.029 12.355 1.00 1.22 C ATOM 154 O LEU A 11 3.196 -7.536 12.276 1.00 1.18 O ATOM 155 CB LEU A 11 5.705 -6.782 14.029 1.00 1.40 C ATOM 156 CG LEU A 11 7.134 -6.857 14.568 1.00 1.74 C ATOM 157 CD1 LEU A 11 7.299 -5.947 15.775 1.00 2.20 C ATOM 158 CD2 LEU A 11 7.493 -8.292 14.926 1.00 2.18 C ATOM 0 H LEU A 11 5.004 -5.151 12.207 1.00 1.10 H new ATOM 0 HA LEU A 11 6.429 -7.704 12.227 1.00 1.24 H new ATOM 0 HB2 LEU A 11 5.329 -5.770 14.180 1.00 1.40 H new ATOM 0 HB3 LEU A 11 5.075 -7.448 14.619 1.00 1.40 H new ATOM 0 HG LEU A 11 7.815 -6.516 13.788 1.00 1.74 H new ATOM 0 HD11 LEU A 11 8.322 -6.014 16.144 1.00 2.20 H new ATOM 0 HD12 LEU A 11 7.084 -4.918 15.487 1.00 2.20 H new ATOM 0 HD13 LEU A 11 6.609 -6.256 16.560 1.00 2.20 H new ATOM 0 HD21 LEU A 11 8.513 -8.327 15.308 1.00 2.18 H new ATOM 0 HD22 LEU A 11 6.807 -8.659 15.689 1.00 2.18 H new ATOM 0 HD23 LEU A 11 7.416 -8.919 14.038 1.00 2.18 H new ATOM 170 N VAL A 12 4.546 -9.337 12.277 1.00 1.35 N ATOM 171 CA VAL A 12 3.458 -10.289 12.092 1.00 1.45 C ATOM 172 C VAL A 12 2.488 -10.254 13.269 1.00 1.51 C ATOM 173 O VAL A 12 2.880 -10.477 14.415 1.00 1.57 O ATOM 174 CB VAL A 12 3.989 -11.725 11.924 1.00 1.66 C ATOM 175 CG1 VAL A 12 4.808 -11.846 10.647 1.00 2.17 C ATOM 176 CG2 VAL A 12 4.813 -12.136 13.135 1.00 2.26 C ATOM 0 H VAL A 12 5.472 -9.761 12.339 1.00 1.35 H new ATOM 0 HA VAL A 12 2.934 -9.994 11.183 1.00 1.45 H new ATOM 0 HB VAL A 12 3.137 -12.400 11.847 1.00 1.66 H new ATOM 0 HG11 VAL A 12 5.175 -12.867 10.545 1.00 2.17 H new ATOM 0 HG12 VAL A 12 4.183 -11.598 9.789 1.00 2.17 H new ATOM 0 HG13 VAL A 12 5.654 -11.160 10.691 1.00 2.17 H new ATOM 0 HG21 VAL A 12 5.179 -13.153 12.998 1.00 2.26 H new ATOM 0 HG22 VAL A 12 5.659 -11.458 13.247 1.00 2.26 H new ATOM 0 HG23 VAL A 12 4.192 -12.092 14.030 1.00 2.26 H new ATOM 186 N GLY A 13 1.223 -9.971 12.979 1.00 1.56 N ATOM 187 CA GLY A 13 0.217 -9.912 14.023 1.00 1.70 C ATOM 188 C GLY A 13 -0.031 -8.497 14.507 1.00 1.61 C ATOM 189 O GLY A 13 -1.130 -8.170 14.958 1.00 1.76 O ATOM 0 H GLY A 13 0.876 -9.781 12.039 1.00 1.56 H new ATOM 0 HA2 GLY A 13 -0.716 -10.334 13.649 1.00 1.70 H new ATOM 0 HA3 GLY A 13 0.533 -10.530 14.863 1.00 1.70 H new ATOM 193 N GLN A 14 0.992 -7.653 14.415 1.00 1.43 N ATOM 194 CA GLN A 14 0.882 -6.265 14.846 1.00 1.40 C ATOM 195 C GLN A 14 0.408 -5.370 13.703 1.00 1.32 C ATOM 196 O GLN A 14 -0.114 -4.280 13.933 1.00 1.33 O ATOM 197 CB GLN A 14 2.227 -5.766 15.376 1.00 1.36 C ATOM 198 CG GLN A 14 2.106 -4.888 16.611 1.00 1.60 C ATOM 199 CD GLN A 14 3.455 -4.477 17.168 1.00 1.90 C ATOM 200 OE1 GLN A 14 4.428 -4.334 16.429 1.00 2.37 O ATOM 201 NE2 GLN A 14 3.518 -4.284 18.481 1.00 2.52 N ATOM 0 H GLN A 14 1.908 -7.907 14.045 1.00 1.43 H new ATOM 0 HA GLN A 14 0.143 -6.219 15.646 1.00 1.40 H new ATOM 0 HB2 GLN A 14 2.857 -6.624 15.611 1.00 1.36 H new ATOM 0 HB3 GLN A 14 2.733 -5.205 14.590 1.00 1.36 H new ATOM 0 HG2 GLN A 14 1.532 -3.995 16.363 1.00 1.60 H new ATOM 0 HG3 GLN A 14 1.547 -5.423 17.379 1.00 1.60 H new ATOM 0 HE21 GLN A 14 2.686 -4.414 19.056 1.00 2.52 H new ATOM 0 HE22 GLN A 14 4.399 -4.006 18.914 1.00 2.52 H new ATOM 210 N GLU A 15 0.594 -5.835 12.470 1.00 1.27 N ATOM 211 CA GLU A 15 0.185 -5.074 11.292 1.00 1.21 C ATOM 212 C GLU A 15 -1.282 -4.667 11.385 1.00 1.31 C ATOM 213 O GLU A 15 -1.662 -3.578 10.955 1.00 1.27 O ATOM 214 CB GLU A 15 0.419 -5.895 10.023 1.00 1.22 C ATOM 215 CG GLU A 15 -0.231 -7.269 10.060 1.00 1.74 C ATOM 216 CD GLU A 15 -0.372 -7.883 8.681 1.00 1.97 C ATOM 217 OE1 GLU A 15 -1.178 -7.366 7.879 1.00 2.53 O ATOM 218 OE2 GLU A 15 0.323 -8.883 8.402 1.00 2.29 O ATOM 0 H GLU A 15 1.025 -6.735 12.261 1.00 1.27 H new ATOM 0 HA GLU A 15 0.790 -4.169 11.249 1.00 1.21 H new ATOM 0 HB2 GLU A 15 0.033 -5.342 9.166 1.00 1.22 H new ATOM 0 HB3 GLU A 15 1.492 -6.013 9.869 1.00 1.22 H new ATOM 0 HG2 GLU A 15 0.363 -7.931 10.690 1.00 1.74 H new ATOM 0 HG3 GLU A 15 -1.216 -7.189 10.521 1.00 1.74 H new ATOM 225 N GLU A 16 -2.102 -5.547 11.951 1.00 1.45 N ATOM 226 CA GLU A 16 -3.528 -5.277 12.100 1.00 1.59 C ATOM 227 C GLU A 16 -3.759 -4.011 12.920 1.00 1.58 C ATOM 228 O GLU A 16 -4.742 -3.298 12.718 1.00 1.64 O ATOM 229 CB GLU A 16 -4.227 -6.465 12.765 1.00 1.75 C ATOM 230 CG GLU A 16 -4.806 -7.461 11.775 1.00 2.16 C ATOM 231 CD GLU A 16 -5.482 -8.635 12.456 1.00 2.66 C ATOM 232 OE1 GLU A 16 -6.658 -8.494 12.855 1.00 3.08 O ATOM 233 OE2 GLU A 16 -4.836 -9.695 12.592 1.00 3.25 O ATOM 0 H GLU A 16 -1.804 -6.452 12.314 1.00 1.45 H new ATOM 0 HA GLU A 16 -3.950 -5.127 11.106 1.00 1.59 H new ATOM 0 HB2 GLU A 16 -3.516 -6.979 13.411 1.00 1.75 H new ATOM 0 HB3 GLU A 16 -5.028 -6.093 13.404 1.00 1.75 H new ATOM 0 HG2 GLU A 16 -5.527 -6.953 11.134 1.00 2.16 H new ATOM 0 HG3 GLU A 16 -4.010 -7.830 11.129 1.00 2.16 H new ATOM 240 N LYS A 17 -2.845 -3.738 13.847 1.00 1.56 N ATOM 241 CA LYS A 17 -2.947 -2.558 14.696 1.00 1.60 C ATOM 242 C LYS A 17 -2.267 -1.358 14.045 1.00 1.46 C ATOM 243 O LYS A 17 -2.671 -0.214 14.255 1.00 1.51 O ATOM 244 CB LYS A 17 -2.320 -2.834 16.064 1.00 1.68 C ATOM 245 CG LYS A 17 -3.054 -2.167 17.216 1.00 1.89 C ATOM 246 CD LYS A 17 -2.986 -3.005 18.482 1.00 2.17 C ATOM 247 CE LYS A 17 -4.033 -2.572 19.494 1.00 2.45 C ATOM 248 NZ LYS A 17 -3.777 -3.152 20.841 1.00 2.99 N ATOM 0 H LYS A 17 -2.026 -4.319 14.028 1.00 1.56 H new ATOM 0 HA LYS A 17 -4.004 -2.326 14.828 1.00 1.60 H new ATOM 0 HB2 LYS A 17 -2.297 -3.911 16.233 1.00 1.68 H new ATOM 0 HB3 LYS A 17 -1.285 -2.491 16.056 1.00 1.68 H new ATOM 0 HG2 LYS A 17 -2.620 -1.185 17.405 1.00 1.89 H new ATOM 0 HG3 LYS A 17 -4.096 -2.007 16.940 1.00 1.89 H new ATOM 0 HD2 LYS A 17 -3.133 -4.056 18.232 1.00 2.17 H new ATOM 0 HD3 LYS A 17 -1.993 -2.918 18.924 1.00 2.17 H new ATOM 0 HE2 LYS A 17 -4.043 -1.484 19.563 1.00 2.45 H new ATOM 0 HE3 LYS A 17 -5.020 -2.878 19.149 1.00 2.45 H new ATOM 0 HZ1 LYS A 17 -4.513 -2.832 21.502 1.00 2.99 H new ATOM 0 HZ2 LYS A 17 -3.793 -4.190 20.781 1.00 2.99 H new ATOM 0 HZ3 LYS A 17 -2.846 -2.839 21.182 1.00 2.99 H new ATOM 262 N ALA A 18 -1.232 -1.627 13.255 1.00 1.33 N ATOM 263 CA ALA A 18 -0.496 -0.570 12.574 1.00 1.23 C ATOM 264 C ALA A 18 -1.375 0.137 11.548 1.00 1.24 C ATOM 265 O ALA A 18 -1.289 1.352 11.373 1.00 1.25 O ATOM 266 CB ALA A 18 0.746 -1.139 11.906 1.00 1.13 C ATOM 0 H ALA A 18 -0.885 -2.568 13.071 1.00 1.33 H new ATOM 0 HA ALA A 18 -0.190 0.165 13.319 1.00 1.23 H new ATOM 0 HB1 ALA A 18 1.287 -0.339 11.401 1.00 1.13 H new ATOM 0 HB2 ALA A 18 1.390 -1.592 12.660 1.00 1.13 H new ATOM 0 HB3 ALA A 18 0.453 -1.895 11.177 1.00 1.13 H new ATOM 272 N LYS A 19 -2.221 -0.633 10.871 1.00 1.30 N ATOM 273 CA LYS A 19 -3.117 -0.079 9.861 1.00 1.36 C ATOM 274 C LYS A 19 -4.054 0.955 10.476 1.00 1.40 C ATOM 275 O LYS A 19 -4.202 2.060 9.953 1.00 1.41 O ATOM 276 CB LYS A 19 -3.931 -1.197 9.205 1.00 1.47 C ATOM 277 CG LYS A 19 -4.142 -0.998 7.713 1.00 1.80 C ATOM 278 CD LYS A 19 -5.166 -1.976 7.161 1.00 2.18 C ATOM 279 CE LYS A 19 -6.536 -1.331 7.025 1.00 2.80 C ATOM 280 NZ LYS A 19 -7.635 -2.330 7.141 1.00 3.36 N ATOM 0 H LYS A 19 -2.305 -1.641 11.003 1.00 1.30 H new ATOM 0 HA LYS A 19 -2.510 0.413 9.101 1.00 1.36 H new ATOM 0 HB2 LYS A 19 -3.425 -2.148 9.369 1.00 1.47 H new ATOM 0 HB3 LYS A 19 -4.902 -1.264 9.695 1.00 1.47 H new ATOM 0 HG2 LYS A 19 -4.474 0.023 7.524 1.00 1.80 H new ATOM 0 HG3 LYS A 19 -3.195 -1.127 7.190 1.00 1.80 H new ATOM 0 HD2 LYS A 19 -4.836 -2.340 6.188 1.00 2.18 H new ATOM 0 HD3 LYS A 19 -5.234 -2.843 7.819 1.00 2.18 H new ATOM 0 HE2 LYS A 19 -6.656 -0.568 7.794 1.00 2.80 H new ATOM 0 HE3 LYS A 19 -6.605 -0.826 6.062 1.00 2.80 H new ATOM 0 HZ1 LYS A 19 -8.443 -1.902 7.636 1.00 3.36 H new ATOM 0 HZ2 LYS A 19 -7.932 -2.631 6.191 1.00 3.36 H new ATOM 0 HZ3 LYS A 19 -7.299 -3.155 7.677 1.00 3.36 H new ATOM 294 N ALA A 20 -4.684 0.590 11.587 1.00 1.48 N ATOM 295 CA ALA A 20 -5.607 1.488 12.272 1.00 1.56 C ATOM 296 C ALA A 20 -4.867 2.674 12.880 1.00 1.49 C ATOM 297 O ALA A 20 -5.292 3.821 12.739 1.00 1.51 O ATOM 298 CB ALA A 20 -6.374 0.734 13.348 1.00 1.70 C ATOM 0 H ALA A 20 -4.573 -0.321 12.032 1.00 1.48 H new ATOM 0 HA ALA A 20 -6.315 1.872 11.538 1.00 1.56 H new ATOM 0 HB1 ALA A 20 -7.059 1.416 13.852 1.00 1.70 H new ATOM 0 HB2 ALA A 20 -6.940 -0.077 12.890 1.00 1.70 H new ATOM 0 HB3 ALA A 20 -5.673 0.323 14.074 1.00 1.70 H new ATOM 304 N ASN A 21 -3.756 2.392 13.553 1.00 1.44 N ATOM 305 CA ASN A 21 -2.958 3.438 14.181 1.00 1.39 C ATOM 306 C ASN A 21 -2.457 4.435 13.142 1.00 1.31 C ATOM 307 O ASN A 21 -2.284 5.618 13.434 1.00 1.35 O ATOM 308 CB ASN A 21 -1.772 2.824 14.928 1.00 1.38 C ATOM 309 CG ASN A 21 -2.087 2.552 16.387 1.00 1.45 C ATOM 310 OD1 ASN A 21 -3.164 2.892 16.876 1.00 1.90 O ATOM 311 ND2 ASN A 21 -1.144 1.934 17.090 1.00 1.81 N ATOM 0 H ASN A 21 -3.388 1.449 13.677 1.00 1.44 H new ATOM 0 HA ASN A 21 -3.592 3.968 14.892 1.00 1.39 H new ATOM 0 HB2 ASN A 21 -1.482 1.893 14.442 1.00 1.38 H new ATOM 0 HB3 ASN A 21 -0.917 3.497 14.863 1.00 1.38 H new ATOM 0 HD21 ASN A 21 -1.298 1.723 18.076 1.00 1.81 H new ATOM 0 HD22 ASN A 21 -0.266 1.670 16.644 1.00 1.81 H new ATOM 318 N LEU A 22 -2.227 3.948 11.926 1.00 1.23 N ATOM 319 CA LEU A 22 -1.747 4.797 10.841 1.00 1.17 C ATOM 320 C LEU A 22 -2.899 5.564 10.202 1.00 1.23 C ATOM 321 O LEU A 22 -2.875 6.792 10.129 1.00 1.26 O ATOM 322 CB LEU A 22 -1.032 3.954 9.784 1.00 1.12 C ATOM 323 CG LEU A 22 -0.533 4.730 8.566 1.00 1.30 C ATOM 324 CD1 LEU A 22 0.596 5.670 8.958 1.00 1.61 C ATOM 325 CD2 LEU A 22 -0.078 3.773 7.474 1.00 1.62 C ATOM 0 H LEU A 22 -2.365 2.971 11.668 1.00 1.23 H new ATOM 0 HA LEU A 22 -1.043 5.516 11.259 1.00 1.17 H new ATOM 0 HB2 LEU A 22 -0.182 3.457 10.252 1.00 1.12 H new ATOM 0 HB3 LEU A 22 -1.711 3.172 9.444 1.00 1.12 H new ATOM 0 HG LEU A 22 -1.357 5.328 8.177 1.00 1.30 H new ATOM 0 HD11 LEU A 22 0.939 6.214 8.078 1.00 1.61 H new ATOM 0 HD12 LEU A 22 0.237 6.378 9.705 1.00 1.61 H new ATOM 0 HD13 LEU A 22 1.423 5.093 9.372 1.00 1.61 H new ATOM 0 HD21 LEU A 22 0.274 4.343 6.614 1.00 1.62 H new ATOM 0 HD22 LEU A 22 0.732 3.149 7.852 1.00 1.62 H new ATOM 0 HD23 LEU A 22 -0.913 3.141 7.173 1.00 1.62 H new ATOM 337 N GLU A 23 -3.910 4.831 9.741 1.00 1.29 N ATOM 338 CA GLU A 23 -5.075 5.440 9.106 1.00 1.38 C ATOM 339 C GLU A 23 -5.614 6.601 9.939 1.00 1.46 C ATOM 340 O GLU A 23 -6.128 7.579 9.399 1.00 1.51 O ATOM 341 CB GLU A 23 -6.173 4.392 8.898 1.00 1.48 C ATOM 342 CG GLU A 23 -6.799 4.434 7.515 1.00 1.61 C ATOM 343 CD GLU A 23 -8.264 4.043 7.527 1.00 1.92 C ATOM 344 OE1 GLU A 23 -8.939 4.299 8.545 1.00 2.45 O ATOM 345 OE2 GLU A 23 -8.736 3.478 6.517 1.00 2.39 O ATOM 0 H GLU A 23 -3.945 3.813 9.796 1.00 1.29 H new ATOM 0 HA GLU A 23 -4.764 5.831 8.137 1.00 1.38 H new ATOM 0 HB2 GLU A 23 -5.754 3.400 9.068 1.00 1.48 H new ATOM 0 HB3 GLU A 23 -6.952 4.541 9.645 1.00 1.48 H new ATOM 0 HG2 GLU A 23 -6.698 5.439 7.105 1.00 1.61 H new ATOM 0 HG3 GLU A 23 -6.253 3.763 6.852 1.00 1.61 H new ATOM 352 N LYS A 24 -5.489 6.485 11.258 1.00 1.50 N ATOM 353 CA LYS A 24 -5.959 7.525 12.163 1.00 1.59 C ATOM 354 C LYS A 24 -5.070 8.760 12.074 1.00 1.53 C ATOM 355 O LYS A 24 -5.558 9.891 12.079 1.00 1.61 O ATOM 356 CB LYS A 24 -5.990 7.005 13.601 1.00 1.67 C ATOM 357 CG LYS A 24 -7.337 6.430 14.011 1.00 1.98 C ATOM 358 CD LYS A 24 -7.443 6.283 15.520 1.00 2.22 C ATOM 359 CE LYS A 24 -8.869 5.972 15.950 1.00 2.82 C ATOM 360 NZ LYS A 24 -9.241 6.693 17.199 1.00 3.51 N ATOM 0 H LYS A 24 -5.066 5.681 11.722 1.00 1.50 H new ATOM 0 HA LYS A 24 -6.970 7.803 11.866 1.00 1.59 H new ATOM 0 HB2 LYS A 24 -5.226 6.237 13.717 1.00 1.67 H new ATOM 0 HB3 LYS A 24 -5.730 7.818 14.278 1.00 1.67 H new ATOM 0 HG2 LYS A 24 -8.136 7.078 13.650 1.00 1.98 H new ATOM 0 HG3 LYS A 24 -7.478 5.458 13.539 1.00 1.98 H new ATOM 0 HD2 LYS A 24 -6.778 5.487 15.857 1.00 2.22 H new ATOM 0 HD3 LYS A 24 -7.109 7.202 16.001 1.00 2.22 H new ATOM 0 HE2 LYS A 24 -9.558 6.249 15.152 1.00 2.82 H new ATOM 0 HE3 LYS A 24 -8.976 4.898 16.105 1.00 2.82 H new ATOM 0 HZ1 LYS A 24 -10.219 6.455 17.459 1.00 3.51 H new ATOM 0 HZ2 LYS A 24 -8.600 6.410 17.967 1.00 3.51 H new ATOM 0 HZ3 LYS A 24 -9.164 7.718 17.044 1.00 3.51 H new ATOM 374 N ARG A 25 -3.763 8.537 11.988 1.00 1.43 N ATOM 375 CA ARG A 25 -2.806 9.631 11.894 1.00 1.39 C ATOM 376 C ARG A 25 -2.931 10.342 10.550 1.00 1.36 C ATOM 377 O ARG A 25 -2.817 11.564 10.469 1.00 1.43 O ATOM 378 CB ARG A 25 -1.380 9.108 12.079 1.00 1.33 C ATOM 379 CG ARG A 25 -1.116 8.543 13.464 1.00 1.47 C ATOM 380 CD ARG A 25 -0.498 9.586 14.382 1.00 1.68 C ATOM 381 NE ARG A 25 -0.672 9.247 15.793 1.00 2.18 N ATOM 382 CZ ARG A 25 -0.027 9.854 16.786 1.00 2.59 C ATOM 383 NH1 ARG A 25 0.834 10.830 16.530 1.00 2.79 N ATOM 384 NH2 ARG A 25 -0.245 9.483 18.041 1.00 3.38 N ATOM 0 H ARG A 25 -3.343 7.608 11.982 1.00 1.43 H new ATOM 0 HA ARG A 25 -3.026 10.346 12.687 1.00 1.39 H new ATOM 0 HB2 ARG A 25 -1.186 8.334 11.337 1.00 1.33 H new ATOM 0 HB3 ARG A 25 -0.677 9.918 11.886 1.00 1.33 H new ATOM 0 HG2 ARG A 25 -2.050 8.184 13.896 1.00 1.47 H new ATOM 0 HG3 ARG A 25 -0.450 7.684 13.387 1.00 1.47 H new ATOM 0 HD2 ARG A 25 0.565 9.680 14.160 1.00 1.68 H new ATOM 0 HD3 ARG A 25 -0.952 10.557 14.184 1.00 1.68 H new ATOM 0 HE ARG A 25 -1.326 8.501 16.030 1.00 2.18 H new ATOM 0 HH11 ARG A 25 1.005 11.120 15.567 1.00 2.79 H new ATOM 0 HH12 ARG A 25 1.325 11.291 17.296 1.00 2.79 H new ATOM 0 HH21 ARG A 25 -0.906 8.733 18.244 1.00 3.38 H new ATOM 0 HH22 ARG A 25 0.249 9.947 18.803 1.00 3.38 H new ATOM 398 N ILE A 26 -3.170 9.565 9.497 1.00 1.30 N ATOM 399 CA ILE A 26 -3.317 10.119 8.157 1.00 1.28 C ATOM 400 C ILE A 26 -4.576 10.974 8.057 1.00 1.44 C ATOM 401 O ILE A 26 -4.618 11.952 7.311 1.00 1.49 O ATOM 402 CB ILE A 26 -3.374 9.005 7.092 1.00 1.21 C ATOM 403 CG1 ILE A 26 -2.169 8.073 7.233 1.00 1.40 C ATOM 404 CG2 ILE A 26 -3.425 9.602 5.693 1.00 1.47 C ATOM 405 CD1 ILE A 26 -0.844 8.752 6.964 1.00 1.32 C ATOM 0 H ILE A 26 -3.266 8.551 9.547 1.00 1.30 H new ATOM 0 HA ILE A 26 -2.442 10.741 7.969 1.00 1.28 H new ATOM 0 HB ILE A 26 -4.283 8.424 7.249 1.00 1.21 H new ATOM 0 HG12 ILE A 26 -2.157 7.658 8.241 1.00 1.40 H new ATOM 0 HG13 ILE A 26 -2.285 7.236 6.545 1.00 1.40 H new ATOM 0 HG21 ILE A 26 -3.465 8.800 4.956 1.00 1.47 H new ATOM 0 HG22 ILE A 26 -4.312 10.228 5.596 1.00 1.47 H new ATOM 0 HG23 ILE A 26 -2.534 10.207 5.523 1.00 1.47 H new ATOM 0 HD11 ILE A 26 -0.035 8.031 7.082 1.00 1.32 H new ATOM 0 HD12 ILE A 26 -0.836 9.143 5.947 1.00 1.32 H new ATOM 0 HD13 ILE A 26 -0.705 9.572 7.669 1.00 1.32 H new ATOM 417 N LYS A 27 -5.600 10.600 8.818 1.00 1.54 N ATOM 418 CA LYS A 27 -6.861 11.333 8.816 1.00 1.73 C ATOM 419 C LYS A 27 -6.861 12.417 9.890 1.00 1.82 C ATOM 420 O LYS A 27 -7.511 13.451 9.741 1.00 1.96 O ATOM 421 CB LYS A 27 -8.031 10.374 9.043 1.00 1.84 C ATOM 422 CG LYS A 27 -9.383 10.970 8.687 1.00 2.17 C ATOM 423 CD LYS A 27 -10.525 10.089 9.170 1.00 2.52 C ATOM 424 CE LYS A 27 -11.777 10.291 8.334 1.00 2.98 C ATOM 425 NZ LYS A 27 -12.934 9.525 8.872 1.00 3.61 N ATOM 0 H LYS A 27 -5.581 9.794 9.443 1.00 1.54 H new ATOM 0 HA LYS A 27 -6.975 11.811 7.843 1.00 1.73 H new ATOM 0 HB2 LYS A 27 -7.872 9.474 8.450 1.00 1.84 H new ATOM 0 HB3 LYS A 27 -8.042 10.068 10.089 1.00 1.84 H new ATOM 0 HG2 LYS A 27 -9.473 11.961 9.132 1.00 2.17 H new ATOM 0 HG3 LYS A 27 -9.452 11.098 7.607 1.00 2.17 H new ATOM 0 HD2 LYS A 27 -10.222 9.043 9.126 1.00 2.52 H new ATOM 0 HD3 LYS A 27 -10.743 10.314 10.214 1.00 2.52 H new ATOM 0 HE2 LYS A 27 -12.026 11.352 8.304 1.00 2.98 H new ATOM 0 HE3 LYS A 27 -11.582 9.981 7.308 1.00 2.98 H new ATOM 0 HZ1 LYS A 27 -13.768 9.690 8.273 1.00 3.61 H new ATOM 0 HZ2 LYS A 27 -12.706 8.510 8.877 1.00 3.61 H new ATOM 0 HZ3 LYS A 27 -13.137 9.839 9.843 1.00 3.61 H new ATOM 439 N ALA A 28 -6.129 12.172 10.972 1.00 1.78 N ATOM 440 CA ALA A 28 -6.046 13.127 12.070 1.00 1.90 C ATOM 441 C ALA A 28 -5.285 14.381 11.653 1.00 1.90 C ATOM 442 O ALA A 28 -5.728 15.501 11.908 1.00 2.06 O ATOM 443 CB ALA A 28 -5.382 12.484 13.278 1.00 1.87 C ATOM 0 H ALA A 28 -5.585 11.320 11.111 1.00 1.78 H new ATOM 0 HA ALA A 28 -7.060 13.422 12.338 1.00 1.90 H new ATOM 0 HB1 ALA A 28 -5.326 13.208 14.091 1.00 1.87 H new ATOM 0 HB2 ALA A 28 -5.967 11.622 13.599 1.00 1.87 H new ATOM 0 HB3 ALA A 28 -4.376 12.160 13.011 1.00 1.87 H new ATOM 449 N PHE A 29 -4.140 14.184 11.008 1.00 1.76 N ATOM 450 CA PHE A 29 -3.318 15.301 10.554 1.00 1.81 C ATOM 451 C PHE A 29 -3.861 15.887 9.255 1.00 1.85 C ATOM 452 O PHE A 29 -3.684 17.073 8.977 1.00 1.98 O ATOM 453 CB PHE A 29 -1.870 14.846 10.355 1.00 1.69 C ATOM 454 CG PHE A 29 -1.095 14.730 11.638 1.00 1.78 C ATOM 455 CD1 PHE A 29 -0.540 15.852 12.231 1.00 2.17 C ATOM 456 CD2 PHE A 29 -0.921 13.498 12.248 1.00 2.17 C ATOM 457 CE1 PHE A 29 0.173 15.748 13.410 1.00 2.29 C ATOM 458 CE2 PHE A 29 -0.208 13.387 13.427 1.00 2.28 C ATOM 459 CZ PHE A 29 0.340 14.515 14.008 1.00 2.03 C ATOM 0 H PHE A 29 -3.760 13.263 10.788 1.00 1.76 H new ATOM 0 HA PHE A 29 -3.348 16.076 11.320 1.00 1.81 H new ATOM 0 HB2 PHE A 29 -1.867 13.880 9.850 1.00 1.69 H new ATOM 0 HB3 PHE A 29 -1.363 15.551 9.696 1.00 1.69 H new ATOM 0 HD1 PHE A 29 -0.666 16.819 11.767 1.00 2.17 H new ATOM 0 HD2 PHE A 29 -1.347 12.614 11.797 1.00 2.17 H new ATOM 0 HE1 PHE A 29 0.599 16.631 13.863 1.00 2.29 H new ATOM 0 HE2 PHE A 29 -0.079 12.421 13.893 1.00 2.28 H new ATOM 0 HZ PHE A 29 0.898 14.432 14.929 1.00 2.03 H new ATOM 469 N GLY A 30 -4.522 15.049 8.463 1.00 1.78 N ATOM 470 CA GLY A 30 -5.078 15.505 7.202 1.00 1.84 C ATOM 471 C GLY A 30 -4.154 15.237 6.032 1.00 1.70 C ATOM 472 O GLY A 30 -3.642 16.168 5.410 1.00 1.84 O ATOM 0 H GLY A 30 -4.683 14.063 8.671 1.00 1.78 H new ATOM 0 HA2 GLY A 30 -6.033 15.008 7.028 1.00 1.84 H new ATOM 0 HA3 GLY A 30 -5.281 16.574 7.263 1.00 1.84 H new ATOM 476 N LEU A 31 -3.938 13.960 5.731 1.00 1.50 N ATOM 477 CA LEU A 31 -3.067 13.571 4.628 1.00 1.38 C ATOM 478 C LEU A 31 -3.821 12.714 3.616 1.00 1.29 C ATOM 479 O LEU A 31 -3.247 11.817 2.998 1.00 1.16 O ATOM 480 CB LEU A 31 -1.850 12.806 5.156 1.00 1.36 C ATOM 481 CG LEU A 31 -1.283 13.317 6.481 1.00 1.35 C ATOM 482 CD1 LEU A 31 -0.568 12.199 7.224 1.00 1.86 C ATOM 483 CD2 LEU A 31 -0.341 14.487 6.239 1.00 1.58 C ATOM 0 H LEU A 31 -4.354 13.177 6.236 1.00 1.50 H new ATOM 0 HA LEU A 31 -2.728 14.478 4.128 1.00 1.38 H new ATOM 0 HB2 LEU A 31 -2.124 11.758 5.277 1.00 1.36 H new ATOM 0 HB3 LEU A 31 -1.062 12.845 4.403 1.00 1.36 H new ATOM 0 HG LEU A 31 -2.111 13.663 7.100 1.00 1.35 H new ATOM 0 HD11 LEU A 31 -0.172 12.582 8.164 1.00 1.86 H new ATOM 0 HD12 LEU A 31 -1.270 11.391 7.429 1.00 1.86 H new ATOM 0 HD13 LEU A 31 0.251 11.821 6.612 1.00 1.86 H new ATOM 0 HD21 LEU A 31 0.054 14.839 7.192 1.00 1.58 H new ATOM 0 HD22 LEU A 31 0.482 14.165 5.601 1.00 1.58 H new ATOM 0 HD23 LEU A 31 -0.884 15.296 5.750 1.00 1.58 H new ATOM 495 N GLN A 32 -5.109 12.996 3.452 1.00 1.40 N ATOM 496 CA GLN A 32 -5.941 12.250 2.515 1.00 1.42 C ATOM 497 C GLN A 32 -5.605 12.606 1.066 1.00 1.39 C ATOM 498 O GLN A 32 -6.080 11.956 0.135 1.00 1.47 O ATOM 499 CB GLN A 32 -7.422 12.525 2.787 1.00 1.63 C ATOM 500 CG GLN A 32 -8.061 11.525 3.738 1.00 1.72 C ATOM 501 CD GLN A 32 -9.541 11.780 3.942 1.00 2.10 C ATOM 502 OE1 GLN A 32 -10.117 12.685 3.337 1.00 2.67 O ATOM 503 NE2 GLN A 32 -10.167 10.980 4.798 1.00 2.48 N ATOM 0 H GLN A 32 -5.599 13.735 3.955 1.00 1.40 H new ATOM 0 HA GLN A 32 -5.737 11.189 2.661 1.00 1.42 H new ATOM 0 HB2 GLN A 32 -7.527 13.527 3.202 1.00 1.63 H new ATOM 0 HB3 GLN A 32 -7.965 12.513 1.842 1.00 1.63 H new ATOM 0 HG2 GLN A 32 -7.920 10.517 3.348 1.00 1.72 H new ATOM 0 HG3 GLN A 32 -7.552 11.568 4.701 1.00 1.72 H new ATOM 0 HE21 GLN A 32 -9.651 10.243 5.278 1.00 2.48 H new ATOM 0 HE22 GLN A 32 -11.164 11.103 4.976 1.00 2.48 H new ATOM 512 N ASP A 33 -4.786 13.638 0.879 1.00 1.39 N ATOM 513 CA ASP A 33 -4.397 14.069 -0.460 1.00 1.43 C ATOM 514 C ASP A 33 -3.289 13.179 -1.018 1.00 1.33 C ATOM 515 O ASP A 33 -3.193 12.979 -2.229 1.00 1.46 O ATOM 516 CB ASP A 33 -3.932 15.525 -0.435 1.00 1.57 C ATOM 517 CG ASP A 33 -5.078 16.500 -0.618 1.00 2.08 C ATOM 518 OD1 ASP A 33 -6.184 16.219 -0.110 1.00 2.49 O ATOM 519 OD2 ASP A 33 -4.870 17.545 -1.270 1.00 2.74 O ATOM 0 H ASP A 33 -4.380 14.189 1.635 1.00 1.39 H new ATOM 0 HA ASP A 33 -5.269 13.984 -1.109 1.00 1.43 H new ATOM 0 HB2 ASP A 33 -3.433 15.728 0.513 1.00 1.57 H new ATOM 0 HB3 ASP A 33 -3.195 15.682 -1.223 1.00 1.57 H new ATOM 524 N LYS A 34 -2.457 12.648 -0.130 1.00 1.14 N ATOM 525 CA LYS A 34 -1.358 11.780 -0.536 1.00 1.07 C ATOM 526 C LYS A 34 -1.812 10.326 -0.599 1.00 0.97 C ATOM 527 O LYS A 34 -1.756 9.692 -1.652 1.00 0.95 O ATOM 528 CB LYS A 34 -0.183 11.920 0.433 1.00 1.05 C ATOM 529 CG LYS A 34 0.806 13.007 0.038 1.00 1.30 C ATOM 530 CD LYS A 34 0.669 14.235 0.923 1.00 1.61 C ATOM 531 CE LYS A 34 1.323 15.453 0.291 1.00 2.13 C ATOM 532 NZ LYS A 34 0.324 16.348 -0.356 1.00 2.77 N ATOM 0 H LYS A 34 -2.522 12.803 0.876 1.00 1.14 H new ATOM 0 HA LYS A 34 -1.034 12.085 -1.531 1.00 1.07 H new ATOM 0 HB2 LYS A 34 -0.568 12.136 1.430 1.00 1.05 H new ATOM 0 HB3 LYS A 34 0.342 10.967 0.494 1.00 1.05 H new ATOM 0 HG2 LYS A 34 1.822 12.619 0.108 1.00 1.30 H new ATOM 0 HG3 LYS A 34 0.643 13.287 -1.003 1.00 1.30 H new ATOM 0 HD2 LYS A 34 -0.386 14.440 1.102 1.00 1.61 H new ATOM 0 HD3 LYS A 34 1.125 14.038 1.893 1.00 1.61 H new ATOM 0 HE2 LYS A 34 1.868 16.009 1.054 1.00 2.13 H new ATOM 0 HE3 LYS A 34 2.054 15.129 -0.450 1.00 2.13 H new ATOM 0 HZ1 LYS A 34 0.811 17.166 -0.775 1.00 2.77 H new ATOM 0 HZ2 LYS A 34 -0.179 15.825 -1.101 1.00 2.77 H new ATOM 0 HZ3 LYS A 34 -0.359 16.678 0.356 1.00 2.77 H new ATOM 546 N ILE A 35 -2.262 9.803 0.536 1.00 0.93 N ATOM 547 CA ILE A 35 -2.728 8.424 0.613 1.00 0.89 C ATOM 548 C ILE A 35 -4.170 8.304 0.130 1.00 0.98 C ATOM 549 O ILE A 35 -5.048 9.039 0.583 1.00 1.21 O ATOM 550 CB ILE A 35 -2.633 7.878 2.051 1.00 0.87 C ATOM 551 CG1 ILE A 35 -1.240 8.142 2.627 1.00 1.46 C ATOM 552 CG2 ILE A 35 -2.951 6.390 2.078 1.00 1.42 C ATOM 553 CD1 ILE A 35 -1.067 7.640 4.044 1.00 2.11 C ATOM 0 H ILE A 35 -2.314 10.315 1.417 1.00 0.93 H new ATOM 0 HA ILE A 35 -2.080 7.834 -0.035 1.00 0.89 H new ATOM 0 HB ILE A 35 -3.367 8.395 2.669 1.00 0.87 H new ATOM 0 HG12 ILE A 35 -0.496 7.667 1.988 1.00 1.46 H new ATOM 0 HG13 ILE A 35 -1.043 9.214 2.603 1.00 1.46 H new ATOM 0 HG21 ILE A 35 -2.879 6.021 3.101 1.00 1.42 H new ATOM 0 HG22 ILE A 35 -3.962 6.227 1.704 1.00 1.42 H new ATOM 0 HG23 ILE A 35 -2.240 5.855 1.449 1.00 1.42 H new ATOM 0 HD11 ILE A 35 -0.056 7.861 4.387 1.00 2.11 H new ATOM 0 HD12 ILE A 35 -1.788 8.134 4.696 1.00 2.11 H new ATOM 0 HD13 ILE A 35 -1.232 6.563 4.071 1.00 2.11 H new ATOM 565 N PHE A 36 -4.407 7.375 -0.790 1.00 0.94 N ATOM 566 CA PHE A 36 -5.746 7.163 -1.331 1.00 1.03 C ATOM 567 C PHE A 36 -6.245 5.757 -1.018 1.00 1.03 C ATOM 568 O PHE A 36 -7.325 5.584 -0.452 1.00 1.13 O ATOM 569 CB PHE A 36 -5.758 7.387 -2.846 1.00 1.08 C ATOM 570 CG PHE A 36 -4.912 8.545 -3.293 1.00 1.08 C ATOM 571 CD1 PHE A 36 -5.316 9.849 -3.055 1.00 1.68 C ATOM 572 CD2 PHE A 36 -3.714 8.327 -3.952 1.00 1.53 C ATOM 573 CE1 PHE A 36 -4.539 10.914 -3.467 1.00 1.69 C ATOM 574 CE2 PHE A 36 -2.934 9.388 -4.366 1.00 1.57 C ATOM 575 CZ PHE A 36 -3.346 10.683 -4.124 1.00 1.13 C ATOM 0 H PHE A 36 -3.692 6.758 -1.176 1.00 0.94 H new ATOM 0 HA PHE A 36 -6.412 7.885 -0.858 1.00 1.03 H new ATOM 0 HB2 PHE A 36 -5.408 6.481 -3.341 1.00 1.08 H new ATOM 0 HB3 PHE A 36 -6.785 7.552 -3.172 1.00 1.08 H new ATOM 0 HD1 PHE A 36 -6.248 10.034 -2.542 1.00 1.68 H new ATOM 0 HD2 PHE A 36 -3.386 7.316 -4.144 1.00 1.53 H new ATOM 0 HE1 PHE A 36 -4.864 11.926 -3.276 1.00 1.69 H new ATOM 0 HE2 PHE A 36 -2.002 9.205 -4.879 1.00 1.57 H new ATOM 0 HZ PHE A 36 -2.737 11.514 -4.448 1.00 1.13 H new ATOM 585 N GLN A 37 -5.457 4.755 -1.394 1.00 0.97 N ATOM 586 CA GLN A 37 -5.829 3.364 -1.154 1.00 0.99 C ATOM 587 C GLN A 37 -4.928 2.724 -0.105 1.00 0.92 C ATOM 588 O GLN A 37 -3.777 3.123 0.070 1.00 0.92 O ATOM 589 CB GLN A 37 -5.763 2.562 -2.455 1.00 1.02 C ATOM 590 CG GLN A 37 -6.377 3.282 -3.646 1.00 1.26 C ATOM 591 CD GLN A 37 -7.327 2.401 -4.433 1.00 1.17 C ATOM 592 OE1 GLN A 37 -6.881 1.939 -5.595 1.00 1.62 O flip ATOM 593 NE2 GLN A 37 -8.450 2.138 -4.000 1.00 1.19 N flip ATOM 0 H GLN A 37 -4.560 4.879 -1.864 1.00 0.97 H new ATOM 0 HA GLN A 37 -6.852 3.354 -0.778 1.00 0.99 H new ATOM 0 HB2 GLN A 37 -4.721 2.332 -2.678 1.00 1.02 H new ATOM 0 HB3 GLN A 37 -6.276 1.611 -2.312 1.00 1.02 H new ATOM 0 HG2 GLN A 37 -6.912 4.165 -3.296 1.00 1.26 H new ATOM 0 HG3 GLN A 37 -5.582 3.631 -4.304 1.00 1.26 H new ATOM 0 HE21 GLN A 37 -8.751 2.515 -3.101 1.00 1.19 H new ATOM 0 HE22 GLN A 37 -9.078 1.543 -4.540 1.00 1.19 H new ATOM 602 N VAL A 38 -5.463 1.723 0.586 1.00 0.93 N ATOM 603 CA VAL A 38 -4.715 1.016 1.618 1.00 0.89 C ATOM 604 C VAL A 38 -5.101 -0.459 1.650 1.00 0.98 C ATOM 605 O VAL A 38 -5.746 -0.925 2.588 1.00 1.22 O ATOM 606 CB VAL A 38 -4.955 1.634 3.009 1.00 0.93 C ATOM 607 CG1 VAL A 38 -4.021 1.015 4.037 1.00 1.59 C ATOM 608 CG2 VAL A 38 -4.781 3.144 2.961 1.00 1.74 C ATOM 0 H VAL A 38 -6.415 1.383 0.449 1.00 0.93 H new ATOM 0 HA VAL A 38 -3.658 1.109 1.371 1.00 0.89 H new ATOM 0 HB VAL A 38 -5.981 1.420 3.309 1.00 0.93 H new ATOM 0 HG11 VAL A 38 -4.205 1.464 5.013 1.00 1.59 H new ATOM 0 HG12 VAL A 38 -4.201 -0.059 4.092 1.00 1.59 H new ATOM 0 HG13 VAL A 38 -2.987 1.195 3.744 1.00 1.59 H new ATOM 0 HG21 VAL A 38 -4.955 3.562 3.953 1.00 1.74 H new ATOM 0 HG22 VAL A 38 -3.768 3.383 2.639 1.00 1.74 H new ATOM 0 HG23 VAL A 38 -5.496 3.570 2.257 1.00 1.74 H new ATOM 618 N LEU A 39 -4.703 -1.188 0.612 1.00 0.92 N ATOM 619 CA LEU A 39 -5.008 -2.610 0.512 1.00 1.03 C ATOM 620 C LEU A 39 -4.050 -3.436 1.362 1.00 0.94 C ATOM 621 O LEU A 39 -2.898 -3.053 1.568 1.00 0.90 O ATOM 622 CB LEU A 39 -4.934 -3.066 -0.947 1.00 1.12 C ATOM 623 CG LEU A 39 -6.226 -2.888 -1.749 1.00 1.65 C ATOM 624 CD1 LEU A 39 -7.359 -3.680 -1.114 1.00 2.62 C ATOM 625 CD2 LEU A 39 -6.592 -1.413 -1.850 1.00 2.53 C ATOM 0 H LEU A 39 -4.168 -0.816 -0.173 1.00 0.92 H new ATOM 0 HA LEU A 39 -6.020 -2.765 0.886 1.00 1.03 H new ATOM 0 HB2 LEU A 39 -4.137 -2.513 -1.444 1.00 1.12 H new ATOM 0 HB3 LEU A 39 -4.653 -4.119 -0.969 1.00 1.12 H new ATOM 0 HG LEU A 39 -6.063 -3.270 -2.757 1.00 1.65 H new ATOM 0 HD11 LEU A 39 -8.270 -3.542 -1.696 1.00 2.62 H new ATOM 0 HD12 LEU A 39 -7.097 -4.738 -1.094 1.00 2.62 H new ATOM 0 HD13 LEU A 39 -7.523 -3.328 -0.096 1.00 2.62 H new ATOM 0 HD21 LEU A 39 -7.513 -1.305 -2.423 1.00 2.53 H new ATOM 0 HD22 LEU A 39 -6.737 -1.005 -0.850 1.00 2.53 H new ATOM 0 HD23 LEU A 39 -5.788 -0.872 -2.349 1.00 2.53 H new ATOM 637 N ILE A 40 -4.533 -4.574 1.849 1.00 1.03 N ATOM 638 CA ILE A 40 -3.719 -5.459 2.673 1.00 1.06 C ATOM 639 C ILE A 40 -3.377 -6.742 1.916 1.00 1.11 C ATOM 640 O ILE A 40 -4.261 -7.396 1.365 1.00 1.21 O ATOM 641 CB ILE A 40 -4.440 -5.828 3.985 1.00 1.27 C ATOM 642 CG1 ILE A 40 -5.049 -4.581 4.630 1.00 2.01 C ATOM 643 CG2 ILE A 40 -3.476 -6.509 4.944 1.00 1.66 C ATOM 644 CD1 ILE A 40 -6.013 -4.891 5.754 1.00 2.62 C ATOM 0 H ILE A 40 -5.484 -4.905 1.687 1.00 1.03 H new ATOM 0 HA ILE A 40 -2.802 -4.920 2.913 1.00 1.06 H new ATOM 0 HB ILE A 40 -5.247 -6.523 3.754 1.00 1.27 H new ATOM 0 HG12 ILE A 40 -4.246 -3.952 5.014 1.00 2.01 H new ATOM 0 HG13 ILE A 40 -5.569 -4.003 3.865 1.00 2.01 H new ATOM 0 HG21 ILE A 40 -3.999 -6.764 5.866 1.00 1.66 H new ATOM 0 HG22 ILE A 40 -3.087 -7.418 4.485 1.00 1.66 H new ATOM 0 HG23 ILE A 40 -2.650 -5.834 5.170 1.00 1.66 H new ATOM 0 HD11 ILE A 40 -6.405 -3.960 6.164 1.00 2.62 H new ATOM 0 HD12 ILE A 40 -6.836 -5.495 5.371 1.00 2.62 H new ATOM 0 HD13 ILE A 40 -5.493 -5.442 6.538 1.00 2.62 H new ATOM 656 N PRO A 41 -2.086 -7.119 1.876 1.00 1.36 N ATOM 657 CA PRO A 41 -1.640 -8.331 1.179 1.00 1.57 C ATOM 658 C PRO A 41 -2.217 -9.601 1.795 1.00 1.42 C ATOM 659 O PRO A 41 -1.512 -10.353 2.471 1.00 1.46 O ATOM 660 CB PRO A 41 -0.116 -8.304 1.337 1.00 1.98 C ATOM 661 CG PRO A 41 0.133 -7.428 2.516 1.00 2.22 C ATOM 662 CD PRO A 41 -0.962 -6.401 2.501 1.00 1.72 C ATOM 0 HA PRO A 41 -1.970 -8.342 0.140 1.00 1.57 H new ATOM 0 HB2 PRO A 41 0.282 -9.306 1.498 1.00 1.98 H new ATOM 0 HB3 PRO A 41 0.367 -7.909 0.443 1.00 1.98 H new ATOM 0 HG2 PRO A 41 0.116 -8.004 3.441 1.00 2.22 H new ATOM 0 HG3 PRO A 41 1.113 -6.956 2.452 1.00 2.22 H new ATOM 0 HD2 PRO A 41 -1.210 -6.062 3.507 1.00 1.72 H new ATOM 0 HD3 PRO A 41 -0.679 -5.518 1.928 1.00 1.72 H new ATOM 670 N THR A 42 -3.502 -9.836 1.556 1.00 1.42 N ATOM 671 CA THR A 42 -4.178 -11.015 2.086 1.00 1.35 C ATOM 672 C THR A 42 -5.244 -11.510 1.114 1.00 1.36 C ATOM 673 O THR A 42 -6.019 -10.721 0.573 1.00 1.56 O ATOM 674 CB THR A 42 -4.814 -10.699 3.441 1.00 1.51 C ATOM 675 OG1 THR A 42 -5.883 -9.782 3.291 1.00 1.75 O ATOM 676 CG2 THR A 42 -3.838 -10.109 4.437 1.00 1.72 C ATOM 0 H THR A 42 -4.098 -9.225 0.998 1.00 1.42 H new ATOM 0 HA THR A 42 -3.435 -11.802 2.217 1.00 1.35 H new ATOM 0 HB THR A 42 -5.166 -11.656 3.826 1.00 1.51 H new ATOM 0 HG1 THR A 42 -6.278 -9.594 4.168 1.00 1.75 H new ATOM 0 HG21 THR A 42 -4.353 -9.908 5.376 1.00 1.72 H new ATOM 0 HG22 THR A 42 -3.026 -10.815 4.612 1.00 1.72 H new ATOM 0 HG23 THR A 42 -3.431 -9.179 4.040 1.00 1.72 H new ATOM 948 N LYS A 59 -6.309 -15.380 3.778 1.00 1.38 N ATOM 949 CA LYS A 59 -4.923 -15.831 3.825 1.00 1.42 C ATOM 950 C LYS A 59 -3.967 -14.656 3.644 1.00 1.38 C ATOM 951 O LYS A 59 -4.367 -13.579 3.204 1.00 1.68 O ATOM 952 CB LYS A 59 -4.668 -16.882 2.743 1.00 1.52 C ATOM 953 CG LYS A 59 -5.737 -17.961 2.682 1.00 1.77 C ATOM 954 CD LYS A 59 -5.272 -19.160 1.870 1.00 2.20 C ATOM 955 CE LYS A 59 -4.450 -20.118 2.715 1.00 2.80 C ATOM 956 NZ LYS A 59 -4.317 -21.454 2.069 1.00 3.15 N ATOM 0 HA LYS A 59 -4.744 -16.278 4.803 1.00 1.42 H new ATOM 0 HB2 LYS A 59 -4.607 -16.387 1.774 1.00 1.52 H new ATOM 0 HB3 LYS A 59 -3.700 -17.350 2.923 1.00 1.52 H new ATOM 0 HG2 LYS A 59 -5.991 -18.281 3.693 1.00 1.77 H new ATOM 0 HG3 LYS A 59 -6.645 -17.551 2.240 1.00 1.77 H new ATOM 0 HD2 LYS A 59 -6.137 -19.683 1.463 1.00 2.20 H new ATOM 0 HD3 LYS A 59 -4.678 -18.819 1.022 1.00 2.20 H new ATOM 0 HE2 LYS A 59 -3.459 -19.696 2.883 1.00 2.80 H new ATOM 0 HE3 LYS A 59 -4.918 -20.232 3.693 1.00 2.80 H new ATOM 0 HZ1 LYS A 59 -3.749 -22.079 2.677 1.00 3.15 H new ATOM 0 HZ2 LYS A 59 -5.261 -21.869 1.932 1.00 3.15 H new ATOM 0 HZ3 LYS A 59 -3.848 -21.349 1.147 1.00 3.15 H new ATOM 970 N LYS A 60 -2.702 -14.870 3.989 1.00 1.41 N ATOM 971 CA LYS A 60 -1.690 -13.826 3.866 1.00 1.39 C ATOM 972 C LYS A 60 -0.747 -14.113 2.702 1.00 1.34 C ATOM 973 O LYS A 60 0.118 -14.986 2.793 1.00 1.40 O ATOM 974 CB LYS A 60 -0.893 -13.703 5.166 1.00 1.53 C ATOM 975 CG LYS A 60 -1.611 -12.913 6.247 1.00 2.00 C ATOM 976 CD LYS A 60 -0.869 -12.979 7.571 1.00 2.36 C ATOM 977 CE LYS A 60 -1.830 -13.079 8.745 1.00 2.74 C ATOM 978 NZ LYS A 60 -1.117 -13.040 10.052 1.00 3.50 N ATOM 0 H LYS A 60 -2.353 -15.755 4.356 1.00 1.41 H new ATOM 0 HA LYS A 60 -2.200 -12.883 3.670 1.00 1.39 H new ATOM 0 HB2 LYS A 60 -0.673 -14.702 5.543 1.00 1.53 H new ATOM 0 HB3 LYS A 60 0.063 -13.225 4.952 1.00 1.53 H new ATOM 0 HG2 LYS A 60 -1.709 -11.873 5.935 1.00 2.00 H new ATOM 0 HG3 LYS A 60 -2.621 -13.304 6.375 1.00 2.00 H new ATOM 0 HD2 LYS A 60 -0.201 -13.840 7.572 1.00 2.36 H new ATOM 0 HD3 LYS A 60 -0.246 -12.092 7.684 1.00 2.36 H new ATOM 0 HE2 LYS A 60 -2.547 -12.259 8.698 1.00 2.74 H new ATOM 0 HE3 LYS A 60 -2.400 -14.005 8.670 1.00 2.74 H new ATOM 0 HZ1 LYS A 60 -1.808 -13.111 10.826 1.00 3.50 H new ATOM 0 HZ2 LYS A 60 -0.451 -13.837 10.108 1.00 3.50 H new ATOM 0 HZ3 LYS A 60 -0.594 -12.145 10.135 1.00 3.50 H new ATOM 992 N LEU A 61 -0.918 -13.375 1.611 1.00 1.29 N ATOM 993 CA LEU A 61 -0.080 -13.550 0.430 1.00 1.27 C ATOM 994 C LEU A 61 1.321 -13.000 0.675 1.00 1.26 C ATOM 995 O LEU A 61 2.318 -13.659 0.379 1.00 1.34 O ATOM 996 CB LEU A 61 -0.711 -12.855 -0.779 1.00 1.25 C ATOM 997 CG LEU A 61 -1.959 -13.540 -1.339 1.00 1.17 C ATOM 998 CD1 LEU A 61 -2.642 -12.646 -2.363 1.00 1.26 C ATOM 999 CD2 LEU A 61 -1.599 -14.883 -1.956 1.00 1.32 C ATOM 0 H LEU A 61 -1.629 -12.650 1.520 1.00 1.29 H new ATOM 0 HA LEU A 61 -0.002 -14.618 0.224 1.00 1.27 H new ATOM 0 HB2 LEU A 61 -0.970 -11.834 -0.498 1.00 1.25 H new ATOM 0 HB3 LEU A 61 0.035 -12.788 -1.571 1.00 1.25 H new ATOM 0 HG LEU A 61 -2.654 -13.716 -0.518 1.00 1.17 H new ATOM 0 HD11 LEU A 61 -3.528 -13.148 -2.751 1.00 1.26 H new ATOM 0 HD12 LEU A 61 -2.935 -11.709 -1.890 1.00 1.26 H new ATOM 0 HD13 LEU A 61 -1.954 -12.439 -3.182 1.00 1.26 H new ATOM 0 HD21 LEU A 61 -2.499 -15.356 -2.349 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -0.885 -14.732 -2.766 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -1.154 -15.525 -1.196 1.00 1.32 H new ATOM 1011 N PHE A 62 1.389 -11.790 1.221 1.00 1.22 N ATOM 1012 CA PHE A 62 2.669 -11.152 1.510 1.00 1.23 C ATOM 1013 C PHE A 62 2.777 -10.807 2.994 1.00 1.25 C ATOM 1014 O PHE A 62 2.603 -9.653 3.388 1.00 1.24 O ATOM 1015 CB PHE A 62 2.837 -9.888 0.664 1.00 1.23 C ATOM 1016 CG PHE A 62 2.478 -10.078 -0.783 1.00 1.17 C ATOM 1017 CD1 PHE A 62 1.153 -10.085 -1.188 1.00 1.83 C ATOM 1018 CD2 PHE A 62 3.468 -10.249 -1.738 1.00 1.42 C ATOM 1019 CE1 PHE A 62 0.821 -10.258 -2.518 1.00 1.82 C ATOM 1020 CE2 PHE A 62 3.142 -10.423 -3.070 1.00 1.40 C ATOM 1021 CZ PHE A 62 1.817 -10.428 -3.461 1.00 1.12 C ATOM 0 H PHE A 62 0.573 -11.232 1.472 1.00 1.22 H new ATOM 0 HA PHE A 62 3.464 -11.854 1.258 1.00 1.23 H new ATOM 0 HB2 PHE A 62 2.216 -9.096 1.082 1.00 1.23 H new ATOM 0 HB3 PHE A 62 3.871 -9.551 0.731 1.00 1.23 H new ATOM 0 HD1 PHE A 62 0.370 -9.954 -0.455 1.00 1.83 H new ATOM 0 HD2 PHE A 62 4.506 -10.246 -1.438 1.00 1.42 H new ATOM 0 HE1 PHE A 62 -0.216 -10.260 -2.820 1.00 1.82 H new ATOM 0 HE2 PHE A 62 3.923 -10.555 -3.805 1.00 1.40 H new ATOM 0 HZ PHE A 62 1.560 -10.564 -4.501 1.00 1.12 H new ATOM 1031 N PRO A 63 3.064 -11.811 3.840 1.00 1.32 N ATOM 1032 CA PRO A 63 3.192 -11.613 5.288 1.00 1.36 C ATOM 1033 C PRO A 63 4.192 -10.519 5.643 1.00 1.26 C ATOM 1034 O PRO A 63 5.337 -10.539 5.190 1.00 1.29 O ATOM 1035 CB PRO A 63 3.687 -12.971 5.795 1.00 1.53 C ATOM 1036 CG PRO A 63 3.237 -13.948 4.766 1.00 1.55 C ATOM 1037 CD PRO A 63 3.283 -13.217 3.454 1.00 1.42 C ATOM 0 HA PRO A 63 2.251 -11.292 5.734 1.00 1.36 H new ATOM 0 HB2 PRO A 63 4.772 -12.982 5.903 1.00 1.53 H new ATOM 0 HB3 PRO A 63 3.267 -13.205 6.773 1.00 1.53 H new ATOM 0 HG2 PRO A 63 3.887 -14.823 4.748 1.00 1.55 H new ATOM 0 HG3 PRO A 63 2.229 -14.303 4.980 1.00 1.55 H new ATOM 0 HD2 PRO A 63 4.241 -13.352 2.952 1.00 1.42 H new ATOM 0 HD3 PRO A 63 2.512 -13.571 2.769 1.00 1.42 H new ATOM 1045 N GLY A 64 3.755 -9.566 6.461 1.00 1.23 N ATOM 1046 CA GLY A 64 4.625 -8.480 6.869 1.00 1.20 C ATOM 1047 C GLY A 64 4.713 -7.377 5.833 1.00 1.08 C ATOM 1048 O GLY A 64 5.706 -6.652 5.773 1.00 1.10 O ATOM 0 H GLY A 64 2.812 -9.528 6.848 1.00 1.23 H new ATOM 0 HA2 GLY A 64 4.261 -8.062 7.808 1.00 1.20 H new ATOM 0 HA3 GLY A 64 5.624 -8.873 7.061 1.00 1.20 H new ATOM 1052 N TYR A 65 3.675 -7.246 5.014 1.00 1.02 N ATOM 1053 CA TYR A 65 3.647 -6.220 3.978 1.00 0.93 C ATOM 1054 C TYR A 65 2.331 -5.449 4.007 1.00 0.90 C ATOM 1055 O TYR A 65 1.315 -5.951 4.489 1.00 1.06 O ATOM 1056 CB TYR A 65 3.852 -6.847 2.598 1.00 0.94 C ATOM 1057 CG TYR A 65 5.271 -7.306 2.345 1.00 1.03 C ATOM 1058 CD1 TYR A 65 5.690 -8.575 2.729 1.00 1.74 C ATOM 1059 CD2 TYR A 65 6.191 -6.472 1.722 1.00 1.50 C ATOM 1060 CE1 TYR A 65 6.985 -8.997 2.499 1.00 1.92 C ATOM 1061 CE2 TYR A 65 7.487 -6.888 1.489 1.00 1.61 C ATOM 1062 CZ TYR A 65 7.879 -8.151 1.879 1.00 1.43 C ATOM 1063 OH TYR A 65 9.170 -8.569 1.648 1.00 1.69 O ATOM 0 H TYR A 65 2.844 -7.836 5.047 1.00 1.02 H new ATOM 0 HA TYR A 65 4.461 -5.522 4.176 1.00 0.93 H new ATOM 0 HB2 TYR A 65 3.179 -7.698 2.492 1.00 0.94 H new ATOM 0 HB3 TYR A 65 3.572 -6.122 1.834 1.00 0.94 H new ATOM 0 HD1 TYR A 65 4.992 -9.241 3.215 1.00 1.74 H new ATOM 0 HD2 TYR A 65 5.888 -5.482 1.415 1.00 1.50 H new ATOM 0 HE1 TYR A 65 7.296 -9.986 2.804 1.00 1.92 H new ATOM 0 HE2 TYR A 65 8.190 -6.227 1.004 1.00 1.61 H new ATOM 0 HH TYR A 65 9.671 -7.854 1.202 1.00 1.69 H new ATOM 1073 N LEU A 66 2.358 -4.228 3.483 1.00 0.85 N ATOM 1074 CA LEU A 66 1.169 -3.383 3.443 1.00 0.83 C ATOM 1075 C LEU A 66 1.172 -2.512 2.192 1.00 0.77 C ATOM 1076 O LEU A 66 2.027 -1.643 2.031 1.00 0.80 O ATOM 1077 CB LEU A 66 1.098 -2.505 4.693 1.00 0.84 C ATOM 1078 CG LEU A 66 0.335 -3.113 5.870 1.00 1.22 C ATOM 1079 CD1 LEU A 66 0.973 -2.704 7.189 1.00 1.75 C ATOM 1080 CD2 LEU A 66 -1.127 -2.694 5.831 1.00 1.77 C ATOM 0 H LEU A 66 3.192 -3.801 3.079 1.00 0.85 H new ATOM 0 HA LEU A 66 0.291 -4.029 3.415 1.00 0.83 H new ATOM 0 HB2 LEU A 66 2.114 -2.278 5.017 1.00 0.84 H new ATOM 0 HB3 LEU A 66 0.629 -1.558 4.427 1.00 0.84 H new ATOM 0 HG LEU A 66 0.384 -4.199 5.788 1.00 1.22 H new ATOM 0 HD11 LEU A 66 0.416 -3.146 8.015 1.00 1.75 H new ATOM 0 HD12 LEU A 66 2.005 -3.054 7.218 1.00 1.75 H new ATOM 0 HD13 LEU A 66 0.956 -1.618 7.280 1.00 1.75 H new ATOM 0 HD21 LEU A 66 -1.655 -3.136 6.676 1.00 1.77 H new ATOM 0 HD22 LEU A 66 -1.196 -1.608 5.888 1.00 1.77 H new ATOM 0 HD23 LEU A 66 -1.579 -3.038 4.901 1.00 1.77 H new ATOM 1092 N PHE A 67 0.212 -2.754 1.306 1.00 0.79 N ATOM 1093 CA PHE A 67 0.108 -1.994 0.066 1.00 0.75 C ATOM 1094 C PHE A 67 -0.650 -0.690 0.279 1.00 0.71 C ATOM 1095 O PHE A 67 -1.816 -0.694 0.678 1.00 0.79 O ATOM 1096 CB PHE A 67 -0.584 -2.832 -1.010 1.00 0.87 C ATOM 1097 CG PHE A 67 0.030 -4.191 -1.208 1.00 0.81 C ATOM 1098 CD1 PHE A 67 1.384 -4.398 -0.987 1.00 1.51 C ATOM 1099 CD2 PHE A 67 -0.749 -5.260 -1.618 1.00 1.33 C ATOM 1100 CE1 PHE A 67 1.947 -5.647 -1.173 1.00 1.55 C ATOM 1101 CE2 PHE A 67 -0.190 -6.511 -1.805 1.00 1.34 C ATOM 1102 CZ PHE A 67 1.158 -6.703 -1.582 1.00 0.89 C ATOM 0 H PHE A 67 -0.505 -3.470 1.423 1.00 0.79 H new ATOM 0 HA PHE A 67 1.118 -1.749 -0.263 1.00 0.75 H new ATOM 0 HB2 PHE A 67 -1.634 -2.953 -0.744 1.00 0.87 H new ATOM 0 HB3 PHE A 67 -0.555 -2.289 -1.955 1.00 0.87 H new ATOM 0 HD1 PHE A 67 2.005 -3.575 -0.666 1.00 1.51 H new ATOM 0 HD2 PHE A 67 -1.805 -5.115 -1.794 1.00 1.33 H new ATOM 0 HE1 PHE A 67 3.002 -5.796 -0.999 1.00 1.55 H new ATOM 0 HE2 PHE A 67 -0.808 -7.337 -2.125 1.00 1.34 H new ATOM 0 HZ PHE A 67 1.596 -7.680 -1.727 1.00 0.89 H new ATOM 1112 N ILE A 68 0.019 0.427 0.008 1.00 0.66 N ATOM 1113 CA ILE A 68 -0.590 1.743 0.168 1.00 0.66 C ATOM 1114 C ILE A 68 -0.432 2.573 -1.101 1.00 0.63 C ATOM 1115 O ILE A 68 0.677 2.969 -1.459 1.00 0.58 O ATOM 1116 CB ILE A 68 0.031 2.521 1.348 1.00 0.64 C ATOM 1117 CG1 ILE A 68 0.298 1.592 2.537 1.00 0.66 C ATOM 1118 CG2 ILE A 68 -0.881 3.666 1.759 1.00 0.74 C ATOM 1119 CD1 ILE A 68 1.767 1.455 2.873 1.00 0.74 C ATOM 0 H ILE A 68 0.983 0.447 -0.324 1.00 0.66 H new ATOM 0 HA ILE A 68 -1.648 1.575 0.372 1.00 0.66 H new ATOM 0 HB ILE A 68 0.986 2.933 1.023 1.00 0.64 H new ATOM 0 HG12 ILE A 68 -0.233 1.970 3.410 1.00 0.66 H new ATOM 0 HG13 ILE A 68 -0.111 0.606 2.317 1.00 0.66 H new ATOM 0 HG21 ILE A 68 -0.433 4.207 2.592 1.00 0.74 H new ATOM 0 HG22 ILE A 68 -1.016 4.344 0.916 1.00 0.74 H new ATOM 0 HG23 ILE A 68 -1.849 3.269 2.064 1.00 0.74 H new ATOM 0 HD11 ILE A 68 1.885 0.784 3.724 1.00 0.74 H new ATOM 0 HD12 ILE A 68 2.300 1.049 2.014 1.00 0.74 H new ATOM 0 HD13 ILE A 68 2.176 2.434 3.124 1.00 0.74 H new ATOM 1131 N GLN A 69 -1.546 2.839 -1.775 1.00 0.70 N ATOM 1132 CA GLN A 69 -1.522 3.628 -3.000 1.00 0.71 C ATOM 1133 C GLN A 69 -1.437 5.116 -2.676 1.00 0.71 C ATOM 1134 O GLN A 69 -2.428 5.842 -2.775 1.00 0.80 O ATOM 1135 CB GLN A 69 -2.767 3.346 -3.844 1.00 0.81 C ATOM 1136 CG GLN A 69 -2.569 3.619 -5.325 1.00 0.85 C ATOM 1137 CD GLN A 69 -3.865 3.562 -6.109 1.00 1.11 C ATOM 1138 OE1 GLN A 69 -4.593 4.673 -6.133 1.00 1.77 O flip ATOM 1139 NE2 GLN A 69 -4.211 2.530 -6.687 1.00 1.59 N flip ATOM 0 H GLN A 69 -2.474 2.521 -1.494 1.00 0.70 H new ATOM 0 HA GLN A 69 -0.639 3.343 -3.572 1.00 0.71 H new ATOM 0 HB2 GLN A 69 -3.059 2.304 -3.710 1.00 0.81 H new ATOM 0 HB3 GLN A 69 -3.591 3.957 -3.477 1.00 0.81 H new ATOM 0 HG2 GLN A 69 -2.116 4.602 -5.452 1.00 0.85 H new ATOM 0 HG3 GLN A 69 -1.869 2.890 -5.734 1.00 0.85 H new ATOM 0 HE21 GLN A 69 -3.622 1.699 -6.643 1.00 1.59 H new ATOM 0 HE22 GLN A 69 -5.087 2.507 -7.210 1.00 1.59 H new ATOM 1148 N MET A 70 -0.246 5.558 -2.281 1.00 0.64 N ATOM 1149 CA MET A 70 -0.021 6.957 -1.934 1.00 0.68 C ATOM 1150 C MET A 70 0.446 7.756 -3.147 1.00 0.71 C ATOM 1151 O MET A 70 0.479 7.243 -4.266 1.00 0.72 O ATOM 1152 CB MET A 70 1.011 7.064 -0.809 1.00 0.64 C ATOM 1153 CG MET A 70 2.398 6.584 -1.206 1.00 0.60 C ATOM 1154 SD MET A 70 3.465 6.292 0.217 1.00 0.88 S ATOM 1155 CE MET A 70 3.127 7.751 1.199 1.00 1.28 C ATOM 0 H MET A 70 0.580 4.965 -2.193 1.00 0.64 H new ATOM 0 HA MET A 70 -0.968 7.376 -1.593 1.00 0.68 H new ATOM 0 HB2 MET A 70 1.075 8.102 -0.484 1.00 0.64 H new ATOM 0 HB3 MET A 70 0.666 6.483 0.046 1.00 0.64 H new ATOM 0 HG2 MET A 70 2.308 5.664 -1.783 1.00 0.60 H new ATOM 0 HG3 MET A 70 2.862 7.325 -1.857 1.00 0.60 H new ATOM 0 HE1 MET A 70 4.021 8.030 1.756 1.00 1.28 H new ATOM 0 HE2 MET A 70 2.838 8.572 0.543 1.00 1.28 H new ATOM 0 HE3 MET A 70 2.316 7.541 1.896 1.00 1.28 H new ATOM 1165 N ASP A 71 0.810 9.014 -2.915 1.00 0.79 N ATOM 1166 CA ASP A 71 1.279 9.888 -3.986 1.00 0.87 C ATOM 1167 C ASP A 71 2.537 10.640 -3.564 1.00 0.91 C ATOM 1168 O ASP A 71 2.460 11.765 -3.069 1.00 1.06 O ATOM 1169 CB ASP A 71 0.186 10.884 -4.376 1.00 1.04 C ATOM 1170 CG ASP A 71 0.117 11.111 -5.874 1.00 1.43 C ATOM 1171 OD1 ASP A 71 1.099 10.781 -6.571 1.00 2.06 O ATOM 1172 OD2 ASP A 71 -0.921 11.618 -6.350 1.00 2.09 O ATOM 0 H ASP A 71 0.789 9.451 -1.994 1.00 0.79 H new ATOM 0 HA ASP A 71 1.520 9.266 -4.848 1.00 0.87 H new ATOM 0 HB2 ASP A 71 -0.778 10.518 -4.022 1.00 1.04 H new ATOM 0 HB3 ASP A 71 0.369 11.835 -3.875 1.00 1.04 H new ATOM 1177 N LEU A 72 3.694 10.018 -3.766 1.00 0.94 N ATOM 1178 CA LEU A 72 4.964 10.640 -3.409 1.00 1.08 C ATOM 1179 C LEU A 72 5.606 11.298 -4.626 1.00 1.34 C ATOM 1180 O LEU A 72 5.636 12.524 -4.738 1.00 1.69 O ATOM 1181 CB LEU A 72 5.919 9.603 -2.808 1.00 1.20 C ATOM 1182 CG LEU A 72 5.441 8.939 -1.511 1.00 1.01 C ATOM 1183 CD1 LEU A 72 6.610 8.298 -0.777 1.00 1.25 C ATOM 1184 CD2 LEU A 72 4.737 9.946 -0.611 1.00 1.29 C ATOM 0 H LEU A 72 3.779 9.087 -4.174 1.00 0.94 H new ATOM 0 HA LEU A 72 4.765 11.410 -2.663 1.00 1.08 H new ATOM 0 HB2 LEU A 72 6.096 8.825 -3.550 1.00 1.20 H new ATOM 0 HB3 LEU A 72 6.878 10.085 -2.617 1.00 1.20 H new ATOM 0 HG LEU A 72 4.726 8.160 -1.774 1.00 1.01 H new ATOM 0 HD11 LEU A 72 6.252 7.832 0.141 1.00 1.25 H new ATOM 0 HD12 LEU A 72 7.068 7.541 -1.414 1.00 1.25 H new ATOM 0 HD13 LEU A 72 7.348 9.061 -0.532 1.00 1.25 H new ATOM 0 HD21 LEU A 72 4.408 9.450 0.302 1.00 1.29 H new ATOM 0 HD22 LEU A 72 5.426 10.752 -0.358 1.00 1.29 H new ATOM 0 HD23 LEU A 72 3.873 10.358 -1.132 1.00 1.29 H new ATOM 1245 N GLU A 77 13.166 14.369 -1.462 1.00 1.82 N ATOM 1246 CA GLU A 77 12.529 13.896 -0.239 1.00 1.71 C ATOM 1247 C GLU A 77 11.013 13.824 -0.409 1.00 1.51 C ATOM 1248 O GLU A 77 10.422 14.639 -1.118 1.00 1.62 O ATOM 1249 CB GLU A 77 12.880 14.815 0.933 1.00 2.06 C ATOM 1250 CG GLU A 77 14.356 15.176 1.001 1.00 2.68 C ATOM 1251 CD GLU A 77 14.636 16.296 1.984 1.00 3.28 C ATOM 1252 OE1 GLU A 77 14.098 17.406 1.788 1.00 3.81 O ATOM 1253 OE2 GLU A 77 15.395 16.063 2.949 1.00 3.76 O ATOM 0 HA GLU A 77 12.902 12.894 -0.029 1.00 1.71 H new ATOM 0 HB2 GLU A 77 12.294 15.730 0.855 1.00 2.06 H new ATOM 0 HB3 GLU A 77 12.590 14.329 1.865 1.00 2.06 H new ATOM 0 HG2 GLU A 77 14.929 14.294 1.287 1.00 2.68 H new ATOM 0 HG3 GLU A 77 14.700 15.472 0.010 1.00 2.68 H new ATOM 1260 N PRO A 78 10.361 12.845 0.243 1.00 1.36 N ATOM 1261 CA PRO A 78 8.907 12.675 0.159 1.00 1.24 C ATOM 1262 C PRO A 78 8.152 13.791 0.871 1.00 1.34 C ATOM 1263 O PRO A 78 8.746 14.774 1.312 1.00 1.83 O ATOM 1264 CB PRO A 78 8.665 11.334 0.855 1.00 1.29 C ATOM 1265 CG PRO A 78 9.815 11.178 1.788 1.00 1.52 C ATOM 1266 CD PRO A 78 10.989 11.831 1.112 1.00 1.50 C ATOM 0 HA PRO A 78 8.552 12.705 -0.871 1.00 1.24 H new ATOM 0 HB2 PRO A 78 7.717 11.332 1.392 1.00 1.29 H new ATOM 0 HB3 PRO A 78 8.625 10.516 0.136 1.00 1.29 H new ATOM 0 HG2 PRO A 78 9.605 11.650 2.748 1.00 1.52 H new ATOM 0 HG3 PRO A 78 10.016 10.125 1.987 1.00 1.52 H new ATOM 0 HD2 PRO A 78 11.667 12.285 1.834 1.00 1.50 H new ATOM 0 HD3 PRO A 78 11.572 11.113 0.535 1.00 1.50 H new ATOM 1274 N ASN A 79 6.837 13.631 0.983 1.00 1.32 N ATOM 1275 CA ASN A 79 5.999 14.625 1.642 1.00 1.56 C ATOM 1276 C ASN A 79 5.872 14.327 3.133 1.00 1.31 C ATOM 1277 O ASN A 79 6.457 13.368 3.637 1.00 1.41 O ATOM 1278 CB ASN A 79 4.612 14.662 0.997 1.00 2.10 C ATOM 1279 CG ASN A 79 4.520 15.686 -0.118 1.00 2.81 C ATOM 1280 OD1 ASN A 79 4.534 15.336 -1.298 1.00 3.55 O ATOM 1281 ND2 ASN A 79 4.427 16.958 0.252 1.00 3.19 N ATOM 0 H ASN A 79 6.329 12.822 0.626 1.00 1.32 H new ATOM 0 HA ASN A 79 6.473 15.599 1.524 1.00 1.56 H new ATOM 0 HB2 ASN A 79 4.372 13.675 0.601 1.00 2.10 H new ATOM 0 HB3 ASN A 79 3.866 14.890 1.758 1.00 2.10 H new ATOM 0 HD21 ASN A 79 4.363 17.691 -0.454 1.00 3.19 H new ATOM 0 HD22 ASN A 79 4.419 17.202 1.242 1.00 3.19 H new ATOM 1288 N GLU A 80 5.105 15.155 3.832 1.00 1.37 N ATOM 1289 CA GLU A 80 4.898 14.981 5.266 1.00 1.41 C ATOM 1290 C GLU A 80 4.282 13.618 5.573 1.00 1.27 C ATOM 1291 O GLU A 80 4.381 13.122 6.695 1.00 1.28 O ATOM 1292 CB GLU A 80 4.002 16.094 5.811 1.00 1.68 C ATOM 1293 CG GLU A 80 2.635 16.153 5.148 1.00 1.86 C ATOM 1294 CD GLU A 80 1.968 17.505 5.308 1.00 2.43 C ATOM 1295 OE1 GLU A 80 2.631 18.529 5.040 1.00 2.93 O ATOM 1296 OE2 GLU A 80 0.783 17.539 5.702 1.00 2.98 O ATOM 0 H GLU A 80 4.615 15.954 3.430 1.00 1.37 H new ATOM 0 HA GLU A 80 5.871 15.033 5.754 1.00 1.41 H new ATOM 0 HB2 GLU A 80 3.871 15.951 6.884 1.00 1.68 H new ATOM 0 HB3 GLU A 80 4.504 17.052 5.676 1.00 1.68 H new ATOM 0 HG2 GLU A 80 2.740 15.927 4.087 1.00 1.86 H new ATOM 0 HG3 GLU A 80 1.994 15.383 5.576 1.00 1.86 H new ATOM 1303 N ALA A 81 3.643 13.018 4.571 1.00 1.18 N ATOM 1304 CA ALA A 81 3.009 11.714 4.739 1.00 1.10 C ATOM 1305 C ALA A 81 3.992 10.688 5.296 1.00 0.99 C ATOM 1306 O ALA A 81 3.602 9.775 6.024 1.00 0.99 O ATOM 1307 CB ALA A 81 2.439 11.233 3.413 1.00 1.11 C ATOM 0 H ALA A 81 3.551 13.414 3.636 1.00 1.18 H new ATOM 0 HA ALA A 81 2.196 11.824 5.457 1.00 1.10 H new ATOM 0 HB1 ALA A 81 1.969 10.259 3.551 1.00 1.11 H new ATOM 0 HB2 ALA A 81 1.697 11.947 3.055 1.00 1.11 H new ATOM 0 HB3 ALA A 81 3.242 11.147 2.681 1.00 1.11 H new ATOM 1313 N TRP A 82 5.265 10.844 4.950 1.00 0.96 N ATOM 1314 CA TRP A 82 6.300 9.929 5.418 1.00 0.91 C ATOM 1315 C TRP A 82 6.670 10.220 6.869 1.00 0.98 C ATOM 1316 O TRP A 82 6.930 9.304 7.649 1.00 0.98 O ATOM 1317 CB TRP A 82 7.542 10.033 4.532 1.00 0.95 C ATOM 1318 CG TRP A 82 8.488 8.884 4.701 1.00 0.94 C ATOM 1319 CD1 TRP A 82 9.829 8.955 4.949 1.00 1.03 C ATOM 1320 CD2 TRP A 82 8.164 7.490 4.635 1.00 0.89 C ATOM 1321 NE1 TRP A 82 10.358 7.690 5.041 1.00 1.05 N ATOM 1322 CE2 TRP A 82 9.356 6.775 4.853 1.00 0.97 C ATOM 1323 CE3 TRP A 82 6.981 6.780 4.414 1.00 0.84 C ATOM 1324 CZ2 TRP A 82 9.398 5.383 4.856 1.00 1.00 C ATOM 1325 CZ3 TRP A 82 7.025 5.398 4.417 1.00 0.88 C ATOM 1326 CH2 TRP A 82 8.226 4.712 4.637 1.00 0.95 C ATOM 0 H TRP A 82 5.605 11.594 4.348 1.00 0.96 H new ATOM 0 HA TRP A 82 5.905 8.915 5.360 1.00 0.91 H new ATOM 0 HB2 TRP A 82 7.232 10.089 3.489 1.00 0.95 H new ATOM 0 HB3 TRP A 82 8.065 10.962 4.759 1.00 0.95 H new ATOM 0 HD1 TRP A 82 10.391 9.871 5.057 1.00 1.03 H new ATOM 0 HE1 TRP A 82 11.337 7.468 5.220 1.00 1.05 H new ATOM 0 HE3 TRP A 82 6.050 7.301 4.244 1.00 0.84 H new ATOM 0 HZ2 TRP A 82 10.323 4.852 5.025 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 6.117 4.838 4.247 1.00 0.88 H new ATOM 0 HH2 TRP A 82 8.227 3.632 4.634 1.00 0.95 H new ATOM 1337 N GLU A 83 6.691 11.501 7.224 1.00 1.09 N ATOM 1338 CA GLU A 83 7.030 11.911 8.582 1.00 1.20 C ATOM 1339 C GLU A 83 6.060 11.304 9.592 1.00 1.16 C ATOM 1340 O GLU A 83 6.420 11.061 10.744 1.00 1.21 O ATOM 1341 CB GLU A 83 7.013 13.437 8.696 1.00 1.38 C ATOM 1342 CG GLU A 83 8.321 14.090 8.281 1.00 1.62 C ATOM 1343 CD GLU A 83 8.571 15.401 9.002 1.00 2.17 C ATOM 1344 OE1 GLU A 83 7.958 15.617 10.069 1.00 2.70 O ATOM 1345 OE2 GLU A 83 9.380 16.209 8.501 1.00 2.75 O ATOM 0 H GLU A 83 6.478 12.272 6.591 1.00 1.09 H new ATOM 0 HA GLU A 83 8.033 11.548 8.804 1.00 1.20 H new ATOM 0 HB2 GLU A 83 6.207 13.831 8.077 1.00 1.38 H new ATOM 0 HB3 GLU A 83 6.788 13.714 9.726 1.00 1.38 H new ATOM 0 HG2 GLU A 83 9.145 13.405 8.483 1.00 1.62 H new ATOM 0 HG3 GLU A 83 8.310 14.267 7.206 1.00 1.62 H new ATOM 1352 N VAL A 84 4.829 11.064 9.153 1.00 1.11 N ATOM 1353 CA VAL A 84 3.808 10.487 10.020 1.00 1.12 C ATOM 1354 C VAL A 84 3.868 8.963 10.000 1.00 1.01 C ATOM 1355 O VAL A 84 3.917 8.320 11.049 1.00 1.03 O ATOM 1356 CB VAL A 84 2.396 10.941 9.602 1.00 1.19 C ATOM 1357 CG1 VAL A 84 1.360 10.457 10.605 1.00 1.25 C ATOM 1358 CG2 VAL A 84 2.341 12.455 9.457 1.00 1.31 C ATOM 0 H VAL A 84 4.514 11.260 8.203 1.00 1.11 H new ATOM 0 HA VAL A 84 4.011 10.842 11.030 1.00 1.12 H new ATOM 0 HB VAL A 84 2.165 10.498 8.633 1.00 1.19 H new ATOM 0 HG11 VAL A 84 0.369 10.787 10.293 1.00 1.25 H new ATOM 0 HG12 VAL A 84 1.381 9.368 10.653 1.00 1.25 H new ATOM 0 HG13 VAL A 84 1.586 10.868 11.589 1.00 1.25 H new ATOM 0 HG21 VAL A 84 1.336 12.756 9.161 1.00 1.31 H new ATOM 0 HG22 VAL A 84 2.594 12.921 10.409 1.00 1.31 H new ATOM 0 HG23 VAL A 84 3.054 12.774 8.696 1.00 1.31 H new ATOM 1368 N VAL A 85 3.864 8.390 8.801 1.00 0.94 N ATOM 1369 CA VAL A 85 3.918 6.941 8.645 1.00 0.89 C ATOM 1370 C VAL A 85 5.174 6.368 9.292 1.00 0.89 C ATOM 1371 O VAL A 85 5.147 5.282 9.871 1.00 0.92 O ATOM 1372 CB VAL A 85 3.884 6.533 7.160 1.00 0.87 C ATOM 1373 CG1 VAL A 85 3.794 5.020 7.022 1.00 0.90 C ATOM 1374 CG2 VAL A 85 2.724 7.211 6.444 1.00 0.91 C ATOM 0 H VAL A 85 3.824 8.907 7.923 1.00 0.94 H new ATOM 0 HA VAL A 85 3.038 6.535 9.143 1.00 0.89 H new ATOM 0 HB VAL A 85 4.812 6.863 6.692 1.00 0.87 H new ATOM 0 HG11 VAL A 85 3.771 4.752 5.966 1.00 0.90 H new ATOM 0 HG12 VAL A 85 4.661 4.559 7.495 1.00 0.90 H new ATOM 0 HG13 VAL A 85 2.885 4.664 7.507 1.00 0.90 H new ATOM 0 HG21 VAL A 85 2.717 6.910 5.396 1.00 0.91 H new ATOM 0 HG22 VAL A 85 1.785 6.916 6.912 1.00 0.91 H new ATOM 0 HG23 VAL A 85 2.838 8.293 6.510 1.00 0.91 H new ATOM 1384 N ARG A 86 6.274 7.104 9.190 1.00 0.92 N ATOM 1385 CA ARG A 86 7.541 6.668 9.765 1.00 0.98 C ATOM 1386 C ARG A 86 7.535 6.816 11.285 1.00 1.04 C ATOM 1387 O ARG A 86 8.322 6.177 11.982 1.00 1.09 O ATOM 1388 CB ARG A 86 8.699 7.468 9.168 1.00 1.08 C ATOM 1389 CG ARG A 86 10.069 6.908 9.517 1.00 1.20 C ATOM 1390 CD ARG A 86 11.142 7.438 8.580 1.00 1.29 C ATOM 1391 NE ARG A 86 12.416 7.638 9.266 1.00 1.64 N ATOM 1392 CZ ARG A 86 13.586 7.743 8.640 1.00 2.24 C ATOM 1393 NH1 ARG A 86 13.648 7.672 7.315 1.00 2.76 N ATOM 1394 NH2 ARG A 86 14.699 7.923 9.340 1.00 2.92 N ATOM 0 H ARG A 86 6.315 8.006 8.715 1.00 0.92 H new ATOM 0 HA ARG A 86 7.673 5.613 9.524 1.00 0.98 H new ATOM 0 HB2 ARG A 86 8.591 7.493 8.084 1.00 1.08 H new ATOM 0 HB3 ARG A 86 8.637 8.498 9.518 1.00 1.08 H new ATOM 0 HG2 ARG A 86 10.320 7.171 10.545 1.00 1.20 H new ATOM 0 HG3 ARG A 86 10.043 5.820 9.464 1.00 1.20 H new ATOM 0 HD2 ARG A 86 11.280 6.739 7.755 1.00 1.29 H new ATOM 0 HD3 ARG A 86 10.811 8.382 8.147 1.00 1.29 H new ATOM 0 HE ARG A 86 12.409 7.701 10.284 1.00 1.64 H new ATOM 0 HH11 ARG A 86 12.796 7.536 6.771 1.00 2.76 H new ATOM 0 HH12 ARG A 86 14.548 7.753 6.841 1.00 2.76 H new ATOM 0 HH21 ARG A 86 14.658 7.981 10.358 1.00 2.92 H new ATOM 0 HH22 ARG A 86 15.596 8.003 8.860 1.00 2.92 H new ATOM 1408 N GLY A 87 6.646 7.666 11.794 1.00 1.07 N ATOM 1409 CA GLY A 87 6.564 7.881 13.227 1.00 1.17 C ATOM 1410 C GLY A 87 5.331 7.253 13.852 1.00 1.12 C ATOM 1411 O GLY A 87 5.037 7.492 15.023 1.00 1.27 O ATOM 0 H GLY A 87 5.983 8.208 11.240 1.00 1.07 H new ATOM 0 HA2 GLY A 87 7.455 7.470 13.702 1.00 1.17 H new ATOM 0 HA3 GLY A 87 6.561 8.952 13.428 1.00 1.17 H new ATOM 1415 N THR A 88 4.606 6.449 13.078 1.00 1.02 N ATOM 1416 CA THR A 88 3.403 5.794 13.579 1.00 1.04 C ATOM 1417 C THR A 88 3.750 4.477 14.270 1.00 1.11 C ATOM 1418 O THR A 88 4.622 3.739 13.813 1.00 1.07 O ATOM 1419 CB THR A 88 2.417 5.539 12.438 1.00 0.99 C ATOM 1420 OG1 THR A 88 3.106 5.240 11.238 1.00 0.97 O ATOM 1421 CG2 THR A 88 1.503 6.712 12.163 1.00 1.07 C ATOM 0 H THR A 88 4.830 6.237 12.106 1.00 1.02 H new ATOM 0 HA THR A 88 2.937 6.457 14.308 1.00 1.04 H new ATOM 0 HB THR A 88 1.809 4.695 12.765 1.00 0.99 H new ATOM 0 HG1 THR A 88 3.899 4.701 11.442 1.00 0.97 H new ATOM 0 HG21 THR A 88 0.830 6.464 11.343 1.00 1.07 H new ATOM 0 HG22 THR A 88 0.920 6.936 13.056 1.00 1.07 H new ATOM 0 HG23 THR A 88 2.100 7.583 11.892 1.00 1.07 H new ATOM 1429 N PRO A 89 3.066 4.160 15.385 1.00 1.33 N ATOM 1430 CA PRO A 89 3.308 2.922 16.134 1.00 1.51 C ATOM 1431 C PRO A 89 2.895 1.683 15.348 1.00 1.51 C ATOM 1432 O PRO A 89 1.770 1.201 15.477 1.00 2.01 O ATOM 1433 CB PRO A 89 2.438 3.079 17.383 1.00 1.81 C ATOM 1434 CG PRO A 89 1.370 4.038 16.985 1.00 1.85 C ATOM 1435 CD PRO A 89 2.006 4.979 16.001 1.00 1.52 C ATOM 0 HA PRO A 89 4.366 2.781 16.355 1.00 1.51 H new ATOM 0 HB2 PRO A 89 2.016 2.123 17.694 1.00 1.81 H new ATOM 0 HB3 PRO A 89 3.018 3.460 18.224 1.00 1.81 H new ATOM 0 HG2 PRO A 89 0.525 3.517 16.536 1.00 1.85 H new ATOM 0 HG3 PRO A 89 0.988 4.578 17.851 1.00 1.85 H new ATOM 0 HD2 PRO A 89 1.288 5.332 15.260 1.00 1.52 H new ATOM 0 HD3 PRO A 89 2.415 5.861 16.494 1.00 1.52 H new ATOM 1443 N GLY A 90 3.813 1.173 14.532 1.00 1.66 N ATOM 1444 CA GLY A 90 3.525 -0.006 13.736 1.00 1.79 C ATOM 1445 C GLY A 90 4.624 -0.316 12.741 1.00 1.45 C ATOM 1446 O GLY A 90 4.882 -1.479 12.434 1.00 1.55 O ATOM 0 H GLY A 90 4.751 1.555 14.408 1.00 1.66 H new ATOM 0 HA2 GLY A 90 3.386 -0.862 14.397 1.00 1.79 H new ATOM 0 HA3 GLY A 90 2.586 0.141 13.202 1.00 1.79 H new ATOM 1450 N ILE A 91 5.275 0.728 12.236 1.00 1.21 N ATOM 1451 CA ILE A 91 6.352 0.560 11.269 1.00 1.09 C ATOM 1452 C ILE A 91 7.656 0.180 11.965 1.00 1.18 C ATOM 1453 O ILE A 91 8.090 0.849 12.902 1.00 1.68 O ATOM 1454 CB ILE A 91 6.573 1.844 10.446 1.00 1.10 C ATOM 1455 CG1 ILE A 91 5.266 2.279 9.782 1.00 1.21 C ATOM 1456 CG2 ILE A 91 7.657 1.629 9.398 1.00 1.72 C ATOM 1457 CD1 ILE A 91 4.676 1.229 8.865 1.00 1.28 C ATOM 0 H ILE A 91 5.075 1.698 12.481 1.00 1.21 H new ATOM 0 HA ILE A 91 6.055 -0.244 10.596 1.00 1.09 H new ATOM 0 HB ILE A 91 6.901 2.635 11.120 1.00 1.10 H new ATOM 0 HG12 ILE A 91 4.539 2.524 10.556 1.00 1.21 H new ATOM 0 HG13 ILE A 91 5.444 3.190 9.211 1.00 1.21 H new ATOM 0 HG21 ILE A 91 7.798 2.547 8.827 1.00 1.72 H new ATOM 0 HG22 ILE A 91 8.591 1.361 9.891 1.00 1.72 H new ATOM 0 HG23 ILE A 91 7.358 0.826 8.725 1.00 1.72 H new ATOM 0 HD11 ILE A 91 3.751 1.605 8.429 1.00 1.28 H new ATOM 0 HD12 ILE A 91 5.385 1.000 8.070 1.00 1.28 H new ATOM 0 HD13 ILE A 91 4.466 0.324 9.435 1.00 1.28 H new ATOM 1567 N ARG A 100 14.410 3.392 1.459 1.00 1.38 N ATOM 1568 CA ARG A 100 13.093 4.006 1.334 1.00 1.77 C ATOM 1569 C ARG A 100 12.055 2.981 0.883 1.00 1.45 C ATOM 1570 O ARG A 100 12.391 1.836 0.578 1.00 1.71 O ATOM 1571 CB ARG A 100 13.144 5.173 0.345 1.00 2.76 C ATOM 1572 CG ARG A 100 12.981 6.534 1.003 1.00 3.39 C ATOM 1573 CD ARG A 100 14.307 7.060 1.531 1.00 4.18 C ATOM 1574 NE ARG A 100 15.335 7.093 0.493 1.00 4.88 N ATOM 1575 CZ ARG A 100 16.623 7.325 0.734 1.00 5.34 C ATOM 1576 NH1 ARG A 100 17.046 7.544 1.973 1.00 5.23 N ATOM 1577 NH2 ARG A 100 17.493 7.337 -0.268 1.00 6.21 N ATOM 0 HA ARG A 100 12.799 4.383 2.313 1.00 1.77 H new ATOM 0 HB2 ARG A 100 14.095 5.147 -0.187 1.00 2.76 H new ATOM 0 HB3 ARG A 100 12.359 5.042 -0.400 1.00 2.76 H new ATOM 0 HG2 ARG A 100 12.569 7.241 0.283 1.00 3.39 H new ATOM 0 HG3 ARG A 100 12.266 6.460 1.822 1.00 3.39 H new ATOM 0 HD2 ARG A 100 14.165 8.063 1.933 1.00 4.18 H new ATOM 0 HD3 ARG A 100 14.644 6.431 2.355 1.00 4.18 H new ATOM 0 HE ARG A 100 15.049 6.929 -0.472 1.00 4.88 H new ATOM 0 HH11 ARG A 100 16.382 7.535 2.748 1.00 5.23 H new ATOM 0 HH12 ARG A 100 18.035 7.721 2.151 1.00 5.23 H new ATOM 0 HH21 ARG A 100 17.174 7.168 -1.222 1.00 6.21 H new ATOM 0 HH22 ARG A 100 18.480 7.515 -0.084 1.00 6.21 H new ATOM 1591 N PRO A 101 10.772 3.380 0.835 1.00 1.03 N ATOM 1592 CA PRO A 101 9.681 2.492 0.417 1.00 0.81 C ATOM 1593 C PRO A 101 9.980 1.781 -0.898 1.00 0.84 C ATOM 1594 O PRO A 101 10.878 2.180 -1.640 1.00 1.11 O ATOM 1595 CB PRO A 101 8.495 3.444 0.255 1.00 0.80 C ATOM 1596 CG PRO A 101 8.788 4.571 1.183 1.00 1.09 C ATOM 1597 CD PRO A 101 10.284 4.729 1.182 1.00 1.04 C ATOM 0 HA PRO A 101 9.508 1.691 1.136 1.00 0.81 H new ATOM 0 HB2 PRO A 101 8.403 3.792 -0.774 1.00 0.80 H new ATOM 0 HB3 PRO A 101 7.556 2.954 0.511 1.00 0.80 H new ATOM 0 HG2 PRO A 101 8.298 5.487 0.852 1.00 1.09 H new ATOM 0 HG3 PRO A 101 8.419 4.357 2.186 1.00 1.09 H new ATOM 0 HD2 PRO A 101 10.609 5.473 0.454 1.00 1.04 H new ATOM 0 HD3 PRO A 101 10.654 5.052 2.155 1.00 1.04 H new ATOM 1605 N VAL A 102 9.225 0.724 -1.179 1.00 0.81 N ATOM 1606 CA VAL A 102 9.411 -0.045 -2.405 1.00 0.90 C ATOM 1607 C VAL A 102 8.110 -0.143 -3.198 1.00 0.73 C ATOM 1608 O VAL A 102 7.274 -1.006 -2.928 1.00 0.69 O ATOM 1609 CB VAL A 102 9.919 -1.466 -2.102 1.00 1.18 C ATOM 1610 CG1 VAL A 102 10.296 -2.185 -3.388 1.00 1.98 C ATOM 1611 CG2 VAL A 102 11.099 -1.419 -1.143 1.00 1.84 C ATOM 0 H VAL A 102 8.479 0.380 -0.575 1.00 0.81 H new ATOM 0 HA VAL A 102 10.157 0.483 -2.999 1.00 0.90 H new ATOM 0 HB VAL A 102 9.114 -2.025 -1.624 1.00 1.18 H new ATOM 0 HG11 VAL A 102 10.653 -3.188 -3.153 1.00 1.98 H new ATOM 0 HG12 VAL A 102 9.422 -2.253 -4.036 1.00 1.98 H new ATOM 0 HG13 VAL A 102 11.084 -1.630 -3.898 1.00 1.98 H new ATOM 0 HG21 VAL A 102 11.444 -2.433 -0.941 1.00 1.84 H new ATOM 0 HG22 VAL A 102 11.909 -0.843 -1.590 1.00 1.84 H new ATOM 0 HG23 VAL A 102 10.791 -0.948 -0.210 1.00 1.84 H new ATOM 1621 N PRO A 103 7.920 0.743 -4.193 1.00 0.74 N ATOM 1622 CA PRO A 103 6.712 0.746 -5.024 1.00 0.69 C ATOM 1623 C PRO A 103 6.655 -0.453 -5.966 1.00 0.71 C ATOM 1624 O PRO A 103 7.542 -0.643 -6.799 1.00 0.82 O ATOM 1625 CB PRO A 103 6.832 2.046 -5.820 1.00 0.81 C ATOM 1626 CG PRO A 103 8.294 2.320 -5.879 1.00 0.95 C ATOM 1627 CD PRO A 103 8.865 1.807 -4.586 1.00 0.90 C ATOM 0 HA PRO A 103 5.804 0.681 -4.424 1.00 0.69 H new ATOM 0 HB2 PRO A 103 6.409 1.939 -6.819 1.00 0.81 H new ATOM 0 HB3 PRO A 103 6.296 2.860 -5.332 1.00 0.81 H new ATOM 0 HG2 PRO A 103 8.751 1.819 -6.733 1.00 0.95 H new ATOM 0 HG3 PRO A 103 8.487 3.387 -5.995 1.00 0.95 H new ATOM 0 HD2 PRO A 103 9.875 1.419 -4.719 1.00 0.90 H new ATOM 0 HD3 PRO A 103 8.922 2.592 -3.832 1.00 0.90 H new ATOM 1635 N LEU A 104 5.607 -1.258 -5.829 1.00 0.71 N ATOM 1636 CA LEU A 104 5.435 -2.438 -6.668 1.00 0.78 C ATOM 1637 C LEU A 104 5.219 -2.044 -8.125 1.00 0.83 C ATOM 1638 O LEU A 104 4.961 -0.879 -8.431 1.00 0.88 O ATOM 1639 CB LEU A 104 4.253 -3.275 -6.174 1.00 0.80 C ATOM 1640 CG LEU A 104 4.268 -3.600 -4.679 1.00 0.79 C ATOM 1641 CD1 LEU A 104 3.421 -2.600 -3.906 1.00 1.21 C ATOM 1642 CD2 LEU A 104 3.774 -5.019 -4.437 1.00 1.36 C ATOM 0 H LEU A 104 4.864 -1.115 -5.145 1.00 0.71 H new ATOM 0 HA LEU A 104 6.346 -3.034 -6.602 1.00 0.78 H new ATOM 0 HB2 LEU A 104 3.330 -2.744 -6.405 1.00 0.80 H new ATOM 0 HB3 LEU A 104 4.231 -4.210 -6.733 1.00 0.80 H new ATOM 0 HG LEU A 104 5.295 -3.528 -4.322 1.00 0.79 H new ATOM 0 HD11 LEU A 104 3.444 -2.847 -2.845 1.00 1.21 H new ATOM 0 HD12 LEU A 104 3.819 -1.596 -4.053 1.00 1.21 H new ATOM 0 HD13 LEU A 104 2.393 -2.639 -4.266 1.00 1.21 H new ATOM 0 HD21 LEU A 104 3.791 -5.233 -3.368 1.00 1.36 H new ATOM 0 HD22 LEU A 104 2.755 -5.118 -4.810 1.00 1.36 H new ATOM 0 HD23 LEU A 104 4.422 -5.724 -4.959 1.00 1.36 H new ATOM 1654 N SER A 105 5.327 -3.020 -9.020 1.00 0.90 N ATOM 1655 CA SER A 105 5.144 -2.773 -10.446 1.00 0.99 C ATOM 1656 C SER A 105 3.681 -2.955 -10.846 1.00 0.98 C ATOM 1657 O SER A 105 2.965 -3.768 -10.260 1.00 0.96 O ATOM 1658 CB SER A 105 6.029 -3.712 -11.266 1.00 1.13 C ATOM 1659 OG SER A 105 7.368 -3.687 -10.801 1.00 1.66 O ATOM 0 H SER A 105 5.540 -3.989 -8.784 1.00 0.90 H new ATOM 0 HA SER A 105 5.433 -1.742 -10.651 1.00 0.99 H new ATOM 0 HB2 SER A 105 5.639 -4.728 -11.207 1.00 1.13 H new ATOM 0 HB3 SER A 105 6.000 -3.420 -12.316 1.00 1.13 H new ATOM 0 HG SER A 105 7.913 -4.297 -11.341 1.00 1.66 H new ATOM 1665 N PRO A 106 3.217 -2.198 -11.855 1.00 1.04 N ATOM 1666 CA PRO A 106 1.832 -2.281 -12.331 1.00 1.09 C ATOM 1667 C PRO A 106 1.417 -3.709 -12.667 1.00 1.12 C ATOM 1668 O PRO A 106 0.248 -4.072 -12.540 1.00 1.16 O ATOM 1669 CB PRO A 106 1.837 -1.416 -13.594 1.00 1.20 C ATOM 1670 CG PRO A 106 2.960 -0.459 -13.395 1.00 1.27 C ATOM 1671 CD PRO A 106 4.003 -1.204 -12.609 1.00 1.13 C ATOM 0 HA PRO A 106 1.122 -1.950 -11.573 1.00 1.09 H new ATOM 0 HB2 PRO A 106 1.987 -2.022 -14.488 1.00 1.20 H new ATOM 0 HB3 PRO A 106 0.889 -0.893 -13.719 1.00 1.20 H new ATOM 0 HG2 PRO A 106 3.359 -0.121 -14.351 1.00 1.27 H new ATOM 0 HG3 PRO A 106 2.626 0.429 -12.858 1.00 1.27 H new ATOM 0 HD2 PRO A 106 4.734 -1.681 -13.262 1.00 1.13 H new ATOM 0 HD3 PRO A 106 4.555 -0.540 -11.944 1.00 1.13 H new ATOM 1679 N ASP A 107 2.384 -4.515 -13.093 1.00 1.15 N ATOM 1680 CA ASP A 107 2.120 -5.906 -13.446 1.00 1.23 C ATOM 1681 C ASP A 107 1.891 -6.751 -12.198 1.00 1.20 C ATOM 1682 O ASP A 107 1.136 -7.723 -12.224 1.00 1.29 O ATOM 1683 CB ASP A 107 3.282 -6.477 -14.259 1.00 1.33 C ATOM 1684 CG ASP A 107 3.083 -6.307 -15.752 1.00 2.06 C ATOM 1685 OD1 ASP A 107 1.977 -6.614 -16.242 1.00 2.75 O ATOM 1686 OD2 ASP A 107 4.035 -5.868 -16.431 1.00 2.58 O ATOM 0 H ASP A 107 3.357 -4.229 -13.202 1.00 1.15 H new ATOM 0 HA ASP A 107 1.214 -5.935 -14.052 1.00 1.23 H new ATOM 0 HB2 ASP A 107 4.207 -5.984 -13.960 1.00 1.33 H new ATOM 0 HB3 ASP A 107 3.397 -7.536 -14.029 1.00 1.33 H new ATOM 1691 N GLU A 108 2.549 -6.376 -11.106 1.00 1.11 N ATOM 1692 CA GLU A 108 2.418 -7.103 -9.848 1.00 1.09 C ATOM 1693 C GLU A 108 1.261 -6.553 -9.020 1.00 1.02 C ATOM 1694 O GLU A 108 0.602 -7.293 -8.290 1.00 1.04 O ATOM 1695 CB GLU A 108 3.720 -7.018 -9.048 1.00 1.08 C ATOM 1696 CG GLU A 108 4.076 -8.307 -8.327 1.00 1.32 C ATOM 1697 CD GLU A 108 5.519 -8.335 -7.862 1.00 1.86 C ATOM 1698 OE1 GLU A 108 6.332 -7.555 -8.400 1.00 2.46 O ATOM 1699 OE2 GLU A 108 5.836 -9.139 -6.960 1.00 2.43 O ATOM 0 H GLU A 108 3.178 -5.574 -11.066 1.00 1.11 H new ATOM 0 HA GLU A 108 2.210 -8.148 -10.080 1.00 1.09 H new ATOM 0 HB2 GLU A 108 4.534 -6.752 -9.722 1.00 1.08 H new ATOM 0 HB3 GLU A 108 3.636 -6.214 -8.317 1.00 1.08 H new ATOM 0 HG2 GLU A 108 3.418 -8.431 -7.467 1.00 1.32 H new ATOM 0 HG3 GLU A 108 3.896 -9.152 -8.991 1.00 1.32 H new ATOM 1706 N VAL A 109 1.020 -5.251 -9.139 1.00 0.96 N ATOM 1707 CA VAL A 109 -0.057 -4.604 -8.400 1.00 0.93 C ATOM 1708 C VAL A 109 -1.417 -5.147 -8.824 1.00 1.00 C ATOM 1709 O VAL A 109 -2.301 -5.350 -7.992 1.00 1.01 O ATOM 1710 CB VAL A 109 -0.044 -3.078 -8.605 1.00 0.91 C ATOM 1711 CG1 VAL A 109 -1.030 -2.408 -7.662 1.00 1.07 C ATOM 1712 CG2 VAL A 109 1.361 -2.522 -8.408 1.00 0.87 C ATOM 0 H VAL A 109 1.556 -4.624 -9.740 1.00 0.96 H new ATOM 0 HA VAL A 109 0.109 -4.823 -7.345 1.00 0.93 H new ATOM 0 HB VAL A 109 -0.351 -2.863 -9.629 1.00 0.91 H new ATOM 0 HG11 VAL A 109 -1.009 -1.330 -7.819 1.00 1.07 H new ATOM 0 HG12 VAL A 109 -2.034 -2.784 -7.859 1.00 1.07 H new ATOM 0 HG13 VAL A 109 -0.755 -2.630 -6.631 1.00 1.07 H new ATOM 0 HG21 VAL A 109 1.349 -1.442 -8.557 1.00 0.87 H new ATOM 0 HG22 VAL A 109 1.702 -2.745 -7.397 1.00 0.87 H new ATOM 0 HG23 VAL A 109 2.038 -2.980 -9.129 1.00 0.87 H new ATOM 1722 N ARG A 110 -1.578 -5.379 -10.123 1.00 1.08 N ATOM 1723 CA ARG A 110 -2.832 -5.897 -10.656 1.00 1.16 C ATOM 1724 C ARG A 110 -3.189 -7.232 -10.010 1.00 1.18 C ATOM 1725 O ARG A 110 -4.363 -7.534 -9.796 1.00 1.23 O ATOM 1726 CB ARG A 110 -2.737 -6.056 -12.176 1.00 1.27 C ATOM 1727 CG ARG A 110 -3.821 -5.307 -12.934 1.00 1.44 C ATOM 1728 CD ARG A 110 -3.256 -4.562 -14.134 1.00 1.98 C ATOM 1729 NE ARG A 110 -3.990 -4.864 -15.361 1.00 2.38 N ATOM 1730 CZ ARG A 110 -5.256 -4.515 -15.572 1.00 3.27 C ATOM 1731 NH1 ARG A 110 -5.933 -3.853 -14.641 1.00 3.94 N ATOM 1732 NH2 ARG A 110 -5.849 -4.828 -16.716 1.00 3.90 N ATOM 0 H ARG A 110 -0.856 -5.216 -10.825 1.00 1.08 H new ATOM 0 HA ARG A 110 -3.621 -5.182 -10.423 1.00 1.16 H new ATOM 0 HB2 ARG A 110 -1.761 -5.703 -12.510 1.00 1.27 H new ATOM 0 HB3 ARG A 110 -2.795 -7.115 -12.427 1.00 1.27 H new ATOM 0 HG2 ARG A 110 -4.584 -6.010 -13.268 1.00 1.44 H new ATOM 0 HG3 ARG A 110 -4.311 -4.600 -12.264 1.00 1.44 H new ATOM 0 HD2 ARG A 110 -3.292 -3.489 -13.945 1.00 1.98 H new ATOM 0 HD3 ARG A 110 -2.207 -4.827 -14.264 1.00 1.98 H new ATOM 0 HE ARG A 110 -3.503 -5.372 -16.099 1.00 2.38 H new ATOM 0 HH11 ARG A 110 -5.482 -3.610 -13.759 1.00 3.94 H new ATOM 0 HH12 ARG A 110 -6.904 -3.588 -14.808 1.00 3.94 H new ATOM 0 HH21 ARG A 110 -5.334 -5.337 -17.435 1.00 3.90 H new ATOM 0 HH22 ARG A 110 -6.820 -4.560 -16.877 1.00 3.90 H new ATOM 1746 N HIS A 111 -2.171 -8.027 -9.699 1.00 1.17 N ATOM 1747 CA HIS A 111 -2.383 -9.327 -9.075 1.00 1.21 C ATOM 1748 C HIS A 111 -2.904 -9.162 -7.652 1.00 1.14 C ATOM 1749 O HIS A 111 -3.953 -9.702 -7.299 1.00 1.19 O ATOM 1750 CB HIS A 111 -1.082 -10.134 -9.069 1.00 1.26 C ATOM 1751 CG HIS A 111 -1.063 -11.243 -10.074 1.00 1.51 C ATOM 1752 ND1 HIS A 111 -1.866 -11.257 -11.196 1.00 2.04 N ATOM 1753 CD2 HIS A 111 -0.331 -12.382 -10.125 1.00 1.95 C ATOM 1754 CE1 HIS A 111 -1.630 -12.356 -11.890 1.00 2.25 C ATOM 1755 NE2 HIS A 111 -0.703 -13.054 -11.263 1.00 2.18 N ATOM 0 H HIS A 111 -1.193 -7.794 -9.869 1.00 1.17 H new ATOM 0 HA HIS A 111 -3.130 -9.867 -9.657 1.00 1.21 H new ATOM 0 HB2 HIS A 111 -0.246 -9.462 -9.265 1.00 1.26 H new ATOM 0 HB3 HIS A 111 -0.928 -10.553 -8.075 1.00 1.26 H new ATOM 0 HD2 HIS A 111 0.407 -12.702 -9.405 1.00 1.95 H new ATOM 0 HE1 HIS A 111 -2.114 -12.636 -12.814 1.00 2.25 H new ATOM 0 HE2 HIS A 111 -0.324 -13.949 -11.573 1.00 2.18 H new ATOM 1764 N ILE A 112 -2.172 -8.407 -6.840 1.00 1.07 N ATOM 1765 CA ILE A 112 -2.571 -8.169 -5.460 1.00 1.03 C ATOM 1766 C ILE A 112 -3.859 -7.353 -5.399 1.00 1.03 C ATOM 1767 O ILE A 112 -4.606 -7.427 -4.424 1.00 1.05 O ATOM 1768 CB ILE A 112 -1.468 -7.439 -4.670 1.00 0.98 C ATOM 1769 CG1 ILE A 112 -1.189 -6.062 -5.282 1.00 0.94 C ATOM 1770 CG2 ILE A 112 -0.201 -8.283 -4.635 1.00 1.03 C ATOM 1771 CD1 ILE A 112 -0.019 -5.334 -4.653 1.00 1.36 C ATOM 0 H ILE A 112 -1.302 -7.951 -7.114 1.00 1.07 H new ATOM 0 HA ILE A 112 -2.739 -9.145 -5.004 1.00 1.03 H new ATOM 0 HB ILE A 112 -1.811 -7.290 -3.646 1.00 0.98 H new ATOM 0 HG12 ILE A 112 -0.998 -6.182 -6.349 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -2.082 -5.445 -5.185 1.00 0.94 H new ATOM 0 HG21 ILE A 112 0.571 -7.757 -4.074 1.00 1.03 H new ATOM 0 HG22 ILE A 112 -0.413 -9.237 -4.153 1.00 1.03 H new ATOM 0 HG23 ILE A 112 0.147 -8.460 -5.653 1.00 1.03 H new ATOM 0 HD11 ILE A 112 0.114 -4.368 -5.141 1.00 1.36 H new ATOM 0 HD12 ILE A 112 -0.214 -5.180 -3.592 1.00 1.36 H new ATOM 0 HD13 ILE A 112 0.887 -5.929 -4.773 1.00 1.36 H new ATOM 1783 N LEU A 113 -4.117 -6.581 -6.452 1.00 1.06 N ATOM 1784 CA LEU A 113 -5.317 -5.758 -6.522 1.00 1.11 C ATOM 1785 C LEU A 113 -6.543 -6.622 -6.804 1.00 1.17 C ATOM 1786 O LEU A 113 -7.637 -6.344 -6.316 1.00 1.23 O ATOM 1787 CB LEU A 113 -5.168 -4.694 -7.611 1.00 1.17 C ATOM 1788 CG LEU A 113 -4.640 -3.342 -7.127 1.00 1.20 C ATOM 1789 CD1 LEU A 113 -4.050 -2.553 -8.286 1.00 1.37 C ATOM 1790 CD2 LEU A 113 -5.749 -2.550 -6.450 1.00 1.94 C ATOM 0 H LEU A 113 -3.509 -6.510 -7.268 1.00 1.06 H new ATOM 0 HA LEU A 113 -5.451 -5.264 -5.560 1.00 1.11 H new ATOM 0 HB2 LEU A 113 -4.496 -5.075 -8.380 1.00 1.17 H new ATOM 0 HB3 LEU A 113 -6.139 -4.540 -8.083 1.00 1.17 H new ATOM 0 HG LEU A 113 -3.850 -3.521 -6.398 1.00 1.20 H new ATOM 0 HD11 LEU A 113 -3.680 -1.594 -7.922 1.00 1.37 H new ATOM 0 HD12 LEU A 113 -3.228 -3.116 -8.728 1.00 1.37 H new ATOM 0 HD13 LEU A 113 -4.819 -2.383 -9.039 1.00 1.37 H new ATOM 0 HD21 LEU A 113 -5.357 -1.591 -6.112 1.00 1.94 H new ATOM 0 HD22 LEU A 113 -6.560 -2.381 -7.158 1.00 1.94 H new ATOM 0 HD23 LEU A 113 -6.126 -3.110 -5.594 1.00 1.94 H new ATOM 1802 N GLU A 114 -6.347 -7.675 -7.594 1.00 1.20 N ATOM 1803 CA GLU A 114 -7.435 -8.583 -7.939 1.00 1.31 C ATOM 1804 C GLU A 114 -7.726 -9.539 -6.788 1.00 1.31 C ATOM 1805 O GLU A 114 -8.867 -9.959 -6.589 1.00 1.40 O ATOM 1806 CB GLU A 114 -7.085 -9.375 -9.200 1.00 1.41 C ATOM 1807 CG GLU A 114 -8.279 -10.074 -9.831 1.00 1.72 C ATOM 1808 CD GLU A 114 -7.926 -11.435 -10.396 1.00 2.11 C ATOM 1809 OE1 GLU A 114 -6.817 -11.579 -10.951 1.00 2.50 O ATOM 1810 OE2 GLU A 114 -8.760 -12.359 -10.282 1.00 2.68 O ATOM 0 H GLU A 114 -5.446 -7.919 -8.006 1.00 1.20 H new ATOM 0 HA GLU A 114 -8.328 -7.988 -8.130 1.00 1.31 H new ATOM 0 HB2 GLU A 114 -6.642 -8.700 -9.932 1.00 1.41 H new ATOM 0 HB3 GLU A 114 -6.328 -10.119 -8.953 1.00 1.41 H new ATOM 0 HG2 GLU A 114 -9.065 -10.187 -9.084 1.00 1.72 H new ATOM 0 HG3 GLU A 114 -8.683 -9.448 -10.627 1.00 1.72 H new ATOM 1817 N VAL A 115 -6.689 -9.876 -6.030 1.00 1.29 N ATOM 1818 CA VAL A 115 -6.831 -10.779 -4.895 1.00 1.40 C ATOM 1819 C VAL A 115 -7.449 -10.060 -3.700 1.00 1.40 C ATOM 1820 O VAL A 115 -8.185 -10.658 -2.915 1.00 1.49 O ATOM 1821 CB VAL A 115 -5.474 -11.377 -4.478 1.00 1.50 C ATOM 1822 CG1 VAL A 115 -5.660 -12.423 -3.388 1.00 1.72 C ATOM 1823 CG2 VAL A 115 -4.757 -11.970 -5.682 1.00 1.55 C ATOM 0 H VAL A 115 -5.739 -9.537 -6.182 1.00 1.29 H new ATOM 0 HA VAL A 115 -7.490 -11.587 -5.212 1.00 1.40 H new ATOM 0 HB VAL A 115 -4.855 -10.575 -4.075 1.00 1.50 H new ATOM 0 HG11 VAL A 115 -4.690 -12.833 -3.108 1.00 1.72 H new ATOM 0 HG12 VAL A 115 -6.124 -11.962 -2.516 1.00 1.72 H new ATOM 0 HG13 VAL A 115 -6.299 -13.224 -3.758 1.00 1.72 H new ATOM 0 HG21 VAL A 115 -3.801 -12.387 -5.367 1.00 1.55 H new ATOM 0 HG22 VAL A 115 -5.370 -12.758 -6.119 1.00 1.55 H new ATOM 0 HG23 VAL A 115 -4.586 -11.190 -6.424 1.00 1.55 H new ATOM 1833 N SER A 116 -7.142 -8.774 -3.570 1.00 1.38 N ATOM 1834 CA SER A 116 -7.667 -7.971 -2.472 1.00 1.46 C ATOM 1835 C SER A 116 -9.188 -7.885 -2.539 1.00 1.50 C ATOM 1836 O SER A 116 -9.886 -8.350 -1.638 1.00 1.64 O ATOM 1837 CB SER A 116 -7.061 -6.566 -2.508 1.00 1.46 C ATOM 1838 OG SER A 116 -5.990 -6.449 -1.588 1.00 2.11 O ATOM 0 H SER A 116 -6.533 -8.266 -4.211 1.00 1.38 H new ATOM 0 HA SER A 116 -7.391 -8.455 -1.535 1.00 1.46 H new ATOM 0 HB2 SER A 116 -6.706 -6.346 -3.515 1.00 1.46 H new ATOM 0 HB3 SER A 116 -7.829 -5.829 -2.273 1.00 1.46 H new ATOM 0 HG SER A 116 -5.210 -6.067 -2.041 1.00 2.11 H new ATOM 1844 N GLY A 117 -9.696 -7.289 -3.612 1.00 1.44 N ATOM 1845 CA GLY A 117 -11.131 -7.154 -3.777 1.00 1.54 C ATOM 1846 C GLY A 117 -11.522 -5.847 -4.437 1.00 1.61 C ATOM 1847 O GLY A 117 -12.453 -5.174 -3.995 1.00 1.78 O ATOM 0 H GLY A 117 -9.139 -6.897 -4.371 1.00 1.44 H new ATOM 0 HA2 GLY A 117 -11.504 -7.985 -4.376 1.00 1.54 H new ATOM 0 HA3 GLY A 117 -11.613 -7.223 -2.802 1.00 1.54 H new ATOM 1851 N LEU A 118 -10.811 -5.486 -5.501 1.00 1.55 N ATOM 1852 CA LEU A 118 -11.092 -4.251 -6.225 1.00 1.64 C ATOM 1853 C LEU A 118 -11.326 -4.532 -7.706 1.00 1.72 C ATOM 1854 O LEU A 118 -12.304 -4.065 -8.290 1.00 1.99 O ATOM 1855 CB LEU A 118 -9.939 -3.257 -6.060 1.00 1.57 C ATOM 1856 CG LEU A 118 -9.205 -3.319 -4.717 1.00 1.49 C ATOM 1857 CD1 LEU A 118 -8.185 -2.194 -4.614 1.00 1.50 C ATOM 1858 CD2 LEU A 118 -10.195 -3.253 -3.560 1.00 1.53 C ATOM 0 H LEU A 118 -10.037 -6.031 -5.881 1.00 1.55 H new ATOM 0 HA LEU A 118 -11.998 -3.814 -5.805 1.00 1.64 H new ATOM 0 HB2 LEU A 118 -9.217 -3.429 -6.858 1.00 1.57 H new ATOM 0 HB3 LEU A 118 -10.329 -2.248 -6.195 1.00 1.57 H new ATOM 0 HG LEU A 118 -8.675 -4.270 -4.659 1.00 1.49 H new ATOM 0 HD11 LEU A 118 -7.673 -2.254 -3.653 1.00 1.50 H new ATOM 0 HD12 LEU A 118 -7.457 -2.288 -5.420 1.00 1.50 H new ATOM 0 HD13 LEU A 118 -8.693 -1.233 -4.695 1.00 1.50 H new ATOM 0 HD21 LEU A 118 -9.654 -3.298 -2.615 1.00 1.53 H new ATOM 0 HD22 LEU A 118 -10.755 -2.319 -3.613 1.00 1.53 H new ATOM 0 HD23 LEU A 118 -10.885 -4.094 -3.623 1.00 1.53 H new ATOM 1870 N LEU A 119 -10.421 -5.298 -8.307 1.00 1.58 N ATOM 1871 CA LEU A 119 -10.528 -5.641 -9.720 1.00 1.67 C ATOM 1872 C LEU A 119 -11.434 -6.852 -9.918 1.00 1.75 C ATOM 1873 O LEU A 119 -12.109 -6.975 -10.940 1.00 2.02 O ATOM 1874 CB LEU A 119 -9.142 -5.923 -10.304 1.00 1.62 C ATOM 1875 CG LEU A 119 -8.925 -5.418 -11.732 1.00 1.88 C ATOM 1876 CD1 LEU A 119 -7.500 -4.918 -11.911 1.00 2.35 C ATOM 1877 CD2 LEU A 119 -9.238 -6.515 -12.738 1.00 2.44 C ATOM 0 H LEU A 119 -9.606 -5.693 -7.838 1.00 1.58 H new ATOM 0 HA LEU A 119 -10.968 -4.792 -10.243 1.00 1.67 H new ATOM 0 HB2 LEU A 119 -8.392 -5.468 -9.656 1.00 1.62 H new ATOM 0 HB3 LEU A 119 -8.969 -6.999 -10.285 1.00 1.62 H new ATOM 0 HG LEU A 119 -9.605 -4.585 -11.910 1.00 1.88 H new ATOM 0 HD11 LEU A 119 -7.365 -4.563 -12.933 1.00 2.35 H new ATOM 0 HD12 LEU A 119 -7.311 -4.101 -11.215 1.00 2.35 H new ATOM 0 HD13 LEU A 119 -6.802 -5.731 -11.714 1.00 2.35 H new ATOM 0 HD21 LEU A 119 -9.078 -6.138 -13.748 1.00 2.44 H new ATOM 0 HD22 LEU A 119 -8.583 -7.368 -12.561 1.00 2.44 H new ATOM 0 HD23 LEU A 119 -10.277 -6.825 -12.626 1.00 2.44 H new ATOM 1889 N GLY A 120 -11.444 -7.744 -8.933 1.00 1.80 N ATOM 1890 CA GLY A 120 -12.271 -8.933 -9.017 1.00 1.98 C ATOM 1891 C GLY A 120 -13.036 -9.201 -7.737 1.00 2.42 C ATOM 1892 O GLY A 120 -13.003 -8.337 -6.835 1.00 2.87 O ATOM 1893 OXT GLY A 120 -13.669 -10.273 -7.635 1.00 2.99 O ATOM 0 H GLY A 120 -10.894 -7.664 -8.078 1.00 1.80 H new ATOM 0 HA2 GLY A 120 -12.976 -8.824 -9.841 1.00 1.98 H new ATOM 0 HA3 GLY A 120 -11.642 -9.793 -9.247 1.00 1.98 H new