USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 938 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 51 LYS NZ :NH3+ -168:sc= -2.89! (180deg=-3.04!) USER MOD Set 1.2: A 87 HIS : no HD1:sc= -2.12 K(o=-5,f=-6.9!) USER MOD Set 2.1: A 58 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.48) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 ASN : amide:sc= 0 X(o=-0.025,f=0.23) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.0255 X(o=-0.025,f=0.23) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.0967 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 46:sc= 0.0233 USER MOD Single : A 15 TYR OH : rot -178:sc= -5.56! USER MOD Single : A 16 SER OG : rot 46:sc= 0.165 USER MOD Single : A 21 THR OG1 : rot -159:sc= -1.44! USER MOD Single : A 25 SER OG : rot 80:sc= -1.21 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -44:sc= 0.363 USER MOD Single : A 47 GLN :FLIP amide:sc= -3.67! C(o=-5!,f=-3.7!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 53 ASN : amide:sc=-0.00751 X(o=-0.0075,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -4! C(o=-4!,f=-12!) USER MOD Single : A 61 GLN : amide:sc= -0.816 K(o=-0.82,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.18) USER MOD Single : A 89 GLN : amide:sc= -0.562 K(o=-0.56,f=-5.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.076 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 100 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.5!) USER MOD Single : A 104 GLN : amide:sc= -0.313 K(o=-0.31,f=-1) USER MOD Single : A 106 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.3) USER MOD Single : A 109 ASN : amide:sc= -0.0365 K(o=-0.037,f=-0.85) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.974 -27.430 29.667 1.00 0.00 N ATOM 2 CA GLY A 1 -9.262 -26.215 29.310 1.00 0.00 C ATOM 3 C GLY A 1 -10.108 -25.334 28.389 1.00 0.00 C ATOM 4 O GLY A 1 -10.686 -25.820 27.418 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.379 -28.010 30.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.856 -27.183 30.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.198 -27.967 28.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.005 -25.661 30.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.325 -26.470 28.815 1.00 0.00 H new ATOM 8 N SER A 2 -10.154 -24.054 28.725 1.00 0.00 N ATOM 9 CA SER A 2 -10.919 -23.100 27.940 1.00 0.00 C ATOM 10 C SER A 2 -10.536 -21.672 28.332 1.00 0.00 C ATOM 11 O SER A 2 -10.524 -21.331 29.514 1.00 0.00 O ATOM 12 CB SER A 2 -12.423 -23.316 28.125 1.00 0.00 C ATOM 13 OG SER A 2 -12.813 -23.214 29.492 1.00 0.00 O ATOM 0 H SER A 2 -9.673 -23.654 29.531 1.00 0.00 H new ATOM 0 HA SER A 2 -10.683 -23.256 26.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.970 -22.580 27.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.698 -24.299 27.742 1.00 0.00 H new ATOM 0 HG SER A 2 -12.250 -22.551 29.944 1.00 0.00 H new ATOM 19 N SER A 3 -10.232 -20.875 27.318 1.00 0.00 N ATOM 20 CA SER A 3 -9.849 -19.492 27.542 1.00 0.00 C ATOM 21 C SER A 3 -10.046 -18.680 26.260 1.00 0.00 C ATOM 22 O SER A 3 -10.299 -19.245 25.197 1.00 0.00 O ATOM 23 CB SER A 3 -8.398 -19.391 28.016 1.00 0.00 C ATOM 24 OG SER A 3 -8.277 -18.608 29.201 1.00 0.00 O ATOM 0 H SER A 3 -10.243 -21.161 26.339 1.00 0.00 H new ATOM 0 HA SER A 3 -10.488 -19.084 28.325 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.006 -20.391 28.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.788 -18.951 27.227 1.00 0.00 H new ATOM 0 HG SER A 3 -7.336 -18.569 29.473 1.00 0.00 H new ATOM 30 N GLY A 4 -9.923 -17.369 26.403 1.00 0.00 N ATOM 31 CA GLY A 4 -10.084 -16.474 25.269 1.00 0.00 C ATOM 32 C GLY A 4 -8.928 -15.475 25.191 1.00 0.00 C ATOM 33 O GLY A 4 -7.873 -15.693 25.784 1.00 0.00 O ATOM 0 H GLY A 4 -9.714 -16.905 27.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.131 -17.054 24.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.028 -15.937 25.356 1.00 0.00 H new ATOM 37 N SER A 5 -9.166 -14.400 24.453 1.00 0.00 N ATOM 38 CA SER A 5 -8.157 -13.367 24.289 1.00 0.00 C ATOM 39 C SER A 5 -8.822 -12.043 23.909 1.00 0.00 C ATOM 40 O SER A 5 -8.676 -11.046 24.615 1.00 0.00 O ATOM 41 CB SER A 5 -7.127 -13.766 23.231 1.00 0.00 C ATOM 42 OG SER A 5 -5.807 -13.819 23.765 1.00 0.00 O ATOM 0 H SER A 5 -10.042 -14.222 23.962 1.00 0.00 H new ATOM 0 HA SER A 5 -7.634 -13.245 25.238 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.390 -14.740 22.818 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.157 -13.052 22.408 1.00 0.00 H new ATOM 0 HG SER A 5 -5.179 -14.079 23.059 1.00 0.00 H new ATOM 48 N SER A 6 -9.539 -12.075 22.795 1.00 0.00 N ATOM 49 CA SER A 6 -10.227 -10.889 22.313 1.00 0.00 C ATOM 50 C SER A 6 -9.209 -9.850 21.839 1.00 0.00 C ATOM 51 O SER A 6 -8.041 -9.901 22.221 1.00 0.00 O ATOM 52 CB SER A 6 -11.126 -10.295 23.399 1.00 0.00 C ATOM 53 OG SER A 6 -12.407 -9.933 22.891 1.00 0.00 O ATOM 0 H SER A 6 -9.658 -12.904 22.212 1.00 0.00 H new ATOM 0 HA SER A 6 -10.859 -11.177 21.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.247 -11.018 24.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.644 -9.416 23.828 1.00 0.00 H new ATOM 0 HG SER A 6 -12.952 -9.559 23.615 1.00 0.00 H new ATOM 59 N GLY A 7 -9.689 -8.932 21.013 1.00 0.00 N ATOM 60 CA GLY A 7 -8.835 -7.883 20.483 1.00 0.00 C ATOM 61 C GLY A 7 -9.628 -6.935 19.580 1.00 0.00 C ATOM 62 O GLY A 7 -10.076 -5.879 20.023 1.00 0.00 O ATOM 0 H GLY A 7 -10.658 -8.893 20.698 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.390 -7.321 21.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.015 -8.327 19.919 1.00 0.00 H new ATOM 66 N ALA A 8 -9.777 -7.347 18.330 1.00 0.00 N ATOM 67 CA ALA A 8 -10.507 -6.549 17.360 1.00 0.00 C ATOM 68 C ALA A 8 -9.750 -5.243 17.108 1.00 0.00 C ATOM 69 O ALA A 8 -8.899 -4.851 17.904 1.00 0.00 O ATOM 70 CB ALA A 8 -11.931 -6.309 17.866 1.00 0.00 C ATOM 0 H ALA A 8 -9.404 -8.224 17.966 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.583 -7.075 16.408 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.479 -5.710 17.139 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.435 -7.266 18.002 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.894 -5.780 18.818 1.00 0.00 H new ATOM 76 N GLY A 9 -10.088 -4.606 15.996 1.00 0.00 N ATOM 77 CA GLY A 9 -9.451 -3.353 15.629 1.00 0.00 C ATOM 78 C GLY A 9 -7.930 -3.452 15.761 1.00 0.00 C ATOM 79 O GLY A 9 -7.338 -4.474 15.419 1.00 0.00 O ATOM 0 H GLY A 9 -10.795 -4.934 15.338 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.715 -3.094 14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.824 -2.551 16.266 1.00 0.00 H new ATOM 83 N SER A 10 -7.341 -2.375 16.259 1.00 0.00 N ATOM 84 CA SER A 10 -5.900 -2.327 16.442 1.00 0.00 C ATOM 85 C SER A 10 -5.203 -2.246 15.082 1.00 0.00 C ATOM 86 O SER A 10 -5.850 -2.347 14.042 1.00 0.00 O ATOM 87 CB SER A 10 -5.403 -3.545 17.222 1.00 0.00 C ATOM 88 OG SER A 10 -4.864 -3.184 18.491 1.00 0.00 O ATOM 0 H SER A 10 -7.835 -1.529 16.542 1.00 0.00 H new ATOM 0 HA SER A 10 -5.658 -1.436 17.021 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.226 -4.245 17.364 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.641 -4.063 16.639 1.00 0.00 H new ATOM 0 HG SER A 10 -4.559 -3.990 18.958 1.00 0.00 H new ATOM 94 N ALA A 11 -3.891 -2.065 15.135 1.00 0.00 N ATOM 95 CA ALA A 11 -3.099 -1.969 13.921 1.00 0.00 C ATOM 96 C ALA A 11 -3.498 -3.097 12.967 1.00 0.00 C ATOM 97 O ALA A 11 -3.552 -4.260 13.363 1.00 0.00 O ATOM 98 CB ALA A 11 -1.612 -2.006 14.277 1.00 0.00 C ATOM 0 H ALA A 11 -3.357 -1.982 16.000 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.289 -1.024 13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.018 -1.934 13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.374 -1.168 14.933 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.383 -2.942 14.786 1.00 0.00 H new ATOM 104 N THR A 12 -3.768 -2.713 11.728 1.00 0.00 N ATOM 105 CA THR A 12 -4.160 -3.677 10.714 1.00 0.00 C ATOM 106 C THR A 12 -2.988 -3.974 9.778 1.00 0.00 C ATOM 107 O THR A 12 -2.857 -5.089 9.275 1.00 0.00 O ATOM 108 CB THR A 12 -5.392 -3.128 9.991 1.00 0.00 C ATOM 109 OG1 THR A 12 -5.660 -4.095 8.980 1.00 0.00 O ATOM 110 CG2 THR A 12 -5.090 -1.847 9.211 1.00 0.00 C ATOM 0 H THR A 12 -3.723 -1.747 11.403 1.00 0.00 H new ATOM 0 HA THR A 12 -4.427 -4.634 11.161 1.00 0.00 H new ATOM 0 HB THR A 12 -6.182 -2.934 10.716 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.446 -3.819 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.997 -1.499 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.733 -1.079 9.897 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.324 -2.049 8.462 1.00 0.00 H new ATOM 118 N ILE A 13 -2.165 -2.956 9.572 1.00 0.00 N ATOM 119 CA ILE A 13 -1.007 -3.094 8.704 1.00 0.00 C ATOM 120 C ILE A 13 0.231 -2.555 9.424 1.00 0.00 C ATOM 121 O ILE A 13 0.124 -1.680 10.281 1.00 0.00 O ATOM 122 CB ILE A 13 -1.269 -2.430 7.351 1.00 0.00 C ATOM 123 CG1 ILE A 13 -2.681 -2.743 6.851 1.00 0.00 C ATOM 124 CG2 ILE A 13 -0.199 -2.822 6.331 1.00 0.00 C ATOM 125 CD1 ILE A 13 -3.008 -1.937 5.592 1.00 0.00 C ATOM 0 H ILE A 13 -2.277 -2.033 9.991 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.818 -4.145 8.486 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.206 -1.350 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.767 -3.808 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.406 -2.515 7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.409 -2.336 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.780 -2.506 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.204 -3.904 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.017 -2.178 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.945 -0.872 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.296 -2.186 4.805 1.00 0.00 H new ATOM 137 N THR A 14 1.379 -3.102 9.049 1.00 0.00 N ATOM 138 CA THR A 14 2.636 -2.687 9.648 1.00 0.00 C ATOM 139 C THR A 14 3.699 -2.479 8.568 1.00 0.00 C ATOM 140 O THR A 14 4.075 -3.422 7.872 1.00 0.00 O ATOM 141 CB THR A 14 3.029 -3.733 10.694 1.00 0.00 C ATOM 142 OG1 THR A 14 2.660 -4.974 10.099 1.00 0.00 O ATOM 143 CG2 THR A 14 2.166 -3.653 11.955 1.00 0.00 C ATOM 0 H THR A 14 1.464 -3.829 8.338 1.00 0.00 H new ATOM 0 HA THR A 14 2.536 -1.725 10.150 1.00 0.00 H new ATOM 0 HB THR A 14 4.077 -3.602 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.966 -4.994 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.486 -4.416 12.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.275 -2.668 12.408 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.121 -3.818 11.692 1.00 0.00 H new ATOM 151 N TYR A 15 4.153 -1.240 8.460 1.00 0.00 N ATOM 152 CA TYR A 15 5.165 -0.896 7.476 1.00 0.00 C ATOM 153 C TYR A 15 6.553 -0.833 8.116 1.00 0.00 C ATOM 154 O TYR A 15 6.675 -0.655 9.327 1.00 0.00 O ATOM 155 CB TYR A 15 4.793 0.494 6.956 1.00 0.00 C ATOM 156 CG TYR A 15 3.957 0.476 5.675 1.00 0.00 C ATOM 157 CD1 TYR A 15 2.635 0.082 5.720 1.00 0.00 C ATOM 158 CD2 TYR A 15 4.524 0.853 4.475 1.00 0.00 C ATOM 159 CE1 TYR A 15 1.848 0.065 4.514 1.00 0.00 C ATOM 160 CE2 TYR A 15 3.737 0.836 3.269 1.00 0.00 C ATOM 161 CZ TYR A 15 2.437 0.442 3.348 1.00 0.00 C ATOM 162 OH TYR A 15 1.694 0.426 2.210 1.00 0.00 O ATOM 0 H TYR A 15 3.839 -0.461 9.038 1.00 0.00 H new ATOM 0 HA TYR A 15 5.199 -1.644 6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.240 1.025 7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.707 1.059 6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.191 -0.213 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.559 1.161 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.812 -0.241 4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.169 1.129 2.324 1.00 0.00 H new ATOM 0 HH TYR A 15 2.254 0.689 1.450 1.00 0.00 H new ATOM 172 N SER A 16 7.565 -0.983 7.274 1.00 0.00 N ATOM 173 CA SER A 16 8.940 -0.945 7.743 1.00 0.00 C ATOM 174 C SER A 16 9.773 -0.026 6.848 1.00 0.00 C ATOM 175 O SER A 16 10.095 -0.381 5.715 1.00 0.00 O ATOM 176 CB SER A 16 9.550 -2.348 7.775 1.00 0.00 C ATOM 177 OG SER A 16 9.315 -3.061 6.564 1.00 0.00 O ATOM 0 H SER A 16 7.460 -1.131 6.270 1.00 0.00 H new ATOM 0 HA SER A 16 8.943 -0.553 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.623 -2.273 7.949 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.130 -2.907 8.612 1.00 0.00 H new ATOM 0 HG SER A 16 9.505 -2.478 5.799 1.00 0.00 H new ATOM 183 N VAL A 17 10.099 1.138 7.390 1.00 0.00 N ATOM 184 CA VAL A 17 10.888 2.112 6.655 1.00 0.00 C ATOM 185 C VAL A 17 12.097 2.523 7.498 1.00 0.00 C ATOM 186 O VAL A 17 11.960 2.820 8.683 1.00 0.00 O ATOM 187 CB VAL A 17 10.011 3.298 6.249 1.00 0.00 C ATOM 188 CG1 VAL A 17 9.277 3.877 7.460 1.00 0.00 C ATOM 189 CG2 VAL A 17 10.837 4.374 5.542 1.00 0.00 C ATOM 0 H VAL A 17 9.831 1.429 8.330 1.00 0.00 H new ATOM 0 HA VAL A 17 11.269 1.676 5.731 1.00 0.00 H new ATOM 0 HB VAL A 17 9.262 2.935 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.661 4.719 7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.643 3.109 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.004 4.217 8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.190 5.206 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.619 4.731 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.292 3.953 4.645 1.00 0.00 H new ATOM 199 N LEU A 18 13.254 2.528 6.852 1.00 0.00 N ATOM 200 CA LEU A 18 14.487 2.898 7.528 1.00 0.00 C ATOM 201 C LEU A 18 14.409 4.366 7.952 1.00 0.00 C ATOM 202 O LEU A 18 13.344 4.978 7.890 1.00 0.00 O ATOM 203 CB LEU A 18 15.697 2.575 6.650 1.00 0.00 C ATOM 204 CG LEU A 18 15.654 1.233 5.915 1.00 0.00 C ATOM 205 CD1 LEU A 18 15.792 1.430 4.404 1.00 0.00 C ATOM 206 CD2 LEU A 18 16.708 0.272 6.467 1.00 0.00 C ATOM 0 H LEU A 18 13.364 2.282 5.868 1.00 0.00 H new ATOM 0 HA LEU A 18 14.616 2.309 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.806 3.368 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.590 2.596 7.275 1.00 0.00 H new ATOM 0 HG LEU A 18 14.679 0.778 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.758 0.461 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.974 2.053 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.742 1.917 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 18 16.656 -0.674 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.699 0.708 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 18 16.521 0.096 7.526 1.00 0.00 H new ATOM 218 N GLU A 19 15.552 4.888 8.374 1.00 0.00 N ATOM 219 CA GLU A 19 15.627 6.272 8.808 1.00 0.00 C ATOM 220 C GLU A 19 16.059 7.170 7.647 1.00 0.00 C ATOM 221 O GLU A 19 15.720 8.352 7.612 1.00 0.00 O ATOM 222 CB GLU A 19 16.575 6.423 9.999 1.00 0.00 C ATOM 223 CG GLU A 19 18.018 6.117 9.594 1.00 0.00 C ATOM 224 CD GLU A 19 18.784 7.404 9.282 1.00 0.00 C ATOM 225 OE1 GLU A 19 19.082 8.136 10.250 1.00 0.00 O ATOM 226 OE2 GLU A 19 19.055 7.627 8.082 1.00 0.00 O ATOM 0 H GLU A 19 16.433 4.377 8.424 1.00 0.00 H new ATOM 0 HA GLU A 19 14.635 6.584 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.511 7.438 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.268 5.751 10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.519 5.577 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.024 5.465 8.720 1.00 0.00 H new ATOM 233 N GLU A 20 16.801 6.575 6.725 1.00 0.00 N ATOM 234 CA GLU A 20 17.283 7.306 5.565 1.00 0.00 C ATOM 235 C GLU A 20 16.141 7.542 4.574 1.00 0.00 C ATOM 236 O GLU A 20 16.196 7.076 3.437 1.00 0.00 O ATOM 237 CB GLU A 20 18.446 6.570 4.897 1.00 0.00 C ATOM 238 CG GLU A 20 17.972 5.264 4.257 1.00 0.00 C ATOM 239 CD GLU A 20 19.070 4.199 4.306 1.00 0.00 C ATOM 240 OE1 GLU A 20 20.228 4.563 4.004 1.00 0.00 O ATOM 241 OE2 GLU A 20 18.728 3.046 4.645 1.00 0.00 O ATOM 0 H GLU A 20 17.080 5.595 6.757 1.00 0.00 H new ATOM 0 HA GLU A 20 17.654 8.275 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.897 7.209 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 20 19.219 6.358 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.085 4.901 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.683 5.446 3.222 1.00 0.00 H new ATOM 248 N THR A 21 15.133 8.263 5.042 1.00 0.00 N ATOM 249 CA THR A 21 13.981 8.566 4.211 1.00 0.00 C ATOM 250 C THR A 21 14.055 10.006 3.700 1.00 0.00 C ATOM 251 O THR A 21 15.008 10.725 3.996 1.00 0.00 O ATOM 252 CB THR A 21 12.720 8.275 5.027 1.00 0.00 C ATOM 253 OG1 THR A 21 13.122 8.491 6.377 1.00 0.00 O ATOM 254 CG2 THR A 21 12.325 6.797 4.987 1.00 0.00 C ATOM 0 H THR A 21 15.090 8.646 5.986 1.00 0.00 H new ATOM 0 HA THR A 21 13.961 7.939 3.320 1.00 0.00 H new ATOM 0 HB THR A 21 11.896 8.881 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.508 8.022 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.424 6.645 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.134 6.499 3.956 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.135 6.193 5.395 1.00 0.00 H new ATOM 262 N ASP A 22 13.036 10.385 2.943 1.00 0.00 N ATOM 263 CA ASP A 22 12.973 11.727 2.388 1.00 0.00 C ATOM 264 C ASP A 22 11.866 11.787 1.334 1.00 0.00 C ATOM 265 O ASP A 22 10.981 10.933 1.308 1.00 0.00 O ATOM 266 CB ASP A 22 14.292 12.105 1.711 1.00 0.00 C ATOM 267 CG ASP A 22 14.903 13.428 2.177 1.00 0.00 C ATOM 268 OD1 ASP A 22 15.027 13.592 3.410 1.00 0.00 O ATOM 269 OD2 ASP A 22 15.232 14.245 1.290 1.00 0.00 O ATOM 0 H ASP A 22 12.247 9.786 2.701 1.00 0.00 H new ATOM 0 HA ASP A 22 12.775 12.421 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.014 11.307 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.129 12.157 0.635 1.00 0.00 H new ATOM 274 N ARG A 23 11.951 12.806 0.491 1.00 0.00 N ATOM 275 CA ARG A 23 10.967 12.989 -0.562 1.00 0.00 C ATOM 276 C ARG A 23 11.255 12.041 -1.729 1.00 0.00 C ATOM 277 O ARG A 23 11.461 12.484 -2.857 1.00 0.00 O ATOM 278 CB ARG A 23 10.969 14.431 -1.074 1.00 0.00 C ATOM 279 CG ARG A 23 12.318 14.787 -1.702 1.00 0.00 C ATOM 280 CD ARG A 23 12.633 16.273 -1.519 1.00 0.00 C ATOM 281 NE ARG A 23 12.408 16.999 -2.789 1.00 0.00 N ATOM 282 CZ ARG A 23 12.256 18.327 -2.878 1.00 0.00 C ATOM 283 NH1 ARG A 23 12.304 19.083 -1.773 1.00 0.00 N ATOM 284 NH2 ARG A 23 12.057 18.900 -4.073 1.00 0.00 N ATOM 0 H ARG A 23 12.686 13.513 0.516 1.00 0.00 H new ATOM 0 HA ARG A 23 9.987 12.766 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.176 14.561 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.755 15.113 -0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.105 14.186 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.305 14.543 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.003 16.693 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.667 16.397 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 23 12.366 16.454 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.456 18.647 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.188 20.094 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.021 18.325 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.941 19.911 -4.141 1.00 0.00 H new ATOM 298 N GLY A 24 11.259 10.754 -1.416 1.00 0.00 N ATOM 299 CA GLY A 24 11.518 9.739 -2.423 1.00 0.00 C ATOM 300 C GLY A 24 11.976 8.430 -1.778 1.00 0.00 C ATOM 301 O GLY A 24 12.905 7.786 -2.264 1.00 0.00 O ATOM 0 H GLY A 24 11.087 10.390 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.615 9.564 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.282 10.094 -3.114 1.00 0.00 H new ATOM 305 N SER A 25 11.303 8.075 -0.694 1.00 0.00 N ATOM 306 CA SER A 25 11.629 6.853 0.023 1.00 0.00 C ATOM 307 C SER A 25 10.424 5.911 0.025 1.00 0.00 C ATOM 308 O SER A 25 9.294 6.343 0.247 1.00 0.00 O ATOM 309 CB SER A 25 12.068 7.157 1.457 1.00 0.00 C ATOM 310 OG SER A 25 13.283 6.492 1.794 1.00 0.00 O ATOM 0 H SER A 25 10.533 8.612 -0.294 1.00 0.00 H new ATOM 0 HA SER A 25 12.461 6.368 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.198 8.233 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.283 6.852 2.149 1.00 0.00 H new ATOM 0 HG SER A 25 14.042 6.991 1.426 1.00 0.00 H new ATOM 316 N LEU A 26 10.706 4.640 -0.224 1.00 0.00 N ATOM 317 CA LEU A 26 9.659 3.633 -0.253 1.00 0.00 C ATOM 318 C LEU A 26 9.393 3.138 1.170 1.00 0.00 C ATOM 319 O LEU A 26 10.247 2.494 1.777 1.00 0.00 O ATOM 320 CB LEU A 26 10.018 2.516 -1.235 1.00 0.00 C ATOM 321 CG LEU A 26 9.263 1.197 -1.056 1.00 0.00 C ATOM 322 CD1 LEU A 26 7.764 1.444 -0.878 1.00 0.00 C ATOM 323 CD2 LEU A 26 9.553 0.238 -2.212 1.00 0.00 C ATOM 0 H LEU A 26 11.644 4.285 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 26 8.727 4.063 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.841 2.879 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.086 2.315 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 26 9.621 0.719 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.251 0.491 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.599 2.063 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.372 1.954 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.004 -0.691 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.240 0.695 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.622 0.026 -2.250 1.00 0.00 H new ATOM 335 N VAL A 27 8.206 3.460 1.662 1.00 0.00 N ATOM 336 CA VAL A 27 7.817 3.057 3.002 1.00 0.00 C ATOM 337 C VAL A 27 7.432 1.576 2.993 1.00 0.00 C ATOM 338 O VAL A 27 7.770 0.837 3.917 1.00 0.00 O ATOM 339 CB VAL A 27 6.696 3.962 3.517 1.00 0.00 C ATOM 340 CG1 VAL A 27 6.149 3.453 4.852 1.00 0.00 C ATOM 341 CG2 VAL A 27 7.173 5.411 3.637 1.00 0.00 C ATOM 0 H VAL A 27 7.501 3.996 1.156 1.00 0.00 H new ATOM 0 HA VAL A 27 8.653 3.172 3.692 1.00 0.00 H new ATOM 0 HB VAL A 27 5.884 3.935 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.354 4.115 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.753 2.446 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.950 3.435 5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.357 6.033 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.011 5.462 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.491 5.771 2.659 1.00 0.00 H new ATOM 351 N GLY A 28 6.730 1.186 1.939 1.00 0.00 N ATOM 352 CA GLY A 28 6.295 -0.193 1.798 1.00 0.00 C ATOM 353 C GLY A 28 5.209 -0.319 0.728 1.00 0.00 C ATOM 354 O GLY A 28 5.051 0.569 -0.109 1.00 0.00 O ATOM 0 H GLY A 28 6.452 1.801 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.146 -0.821 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.914 -0.557 2.752 1.00 0.00 H new ATOM 358 N ASN A 29 4.487 -1.428 0.791 1.00 0.00 N ATOM 359 CA ASN A 29 3.419 -1.681 -0.162 1.00 0.00 C ATOM 360 C ASN A 29 2.068 -1.528 0.540 1.00 0.00 C ATOM 361 O ASN A 29 1.923 -1.903 1.702 1.00 0.00 O ATOM 362 CB ASN A 29 3.504 -3.103 -0.719 1.00 0.00 C ATOM 363 CG ASN A 29 4.906 -3.399 -1.257 1.00 0.00 C ATOM 364 OD1 ASN A 29 5.839 -3.667 -0.518 1.00 0.00 O ATOM 365 ND2 ASN A 29 5.002 -3.335 -2.582 1.00 0.00 N ATOM 0 H ASN A 29 4.620 -2.162 1.487 1.00 0.00 H new ATOM 0 HA ASN A 29 3.520 -0.967 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.252 -3.819 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.771 -3.230 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.896 -3.516 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.181 -3.105 -3.142 1.00 0.00 H new ATOM 372 N LEU A 30 1.115 -0.977 -0.196 1.00 0.00 N ATOM 373 CA LEU A 30 -0.220 -0.770 0.341 1.00 0.00 C ATOM 374 C LEU A 30 -1.192 -1.741 -0.332 1.00 0.00 C ATOM 375 O LEU A 30 -1.910 -2.475 0.346 1.00 0.00 O ATOM 376 CB LEU A 30 -0.628 0.699 0.211 1.00 0.00 C ATOM 377 CG LEU A 30 -1.714 1.181 1.175 1.00 0.00 C ATOM 378 CD1 LEU A 30 -1.499 0.605 2.575 1.00 0.00 C ATOM 379 CD2 LEU A 30 -1.794 2.709 1.189 1.00 0.00 C ATOM 0 H LEU A 30 1.240 -0.667 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.239 -0.988 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.259 1.316 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.973 0.871 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.676 0.811 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.284 0.963 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.531 -0.484 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.528 0.924 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.573 3.026 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.836 3.121 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.030 3.070 0.188 1.00 0.00 H new ATOM 391 N ALA A 31 -1.184 -1.713 -1.656 1.00 0.00 N ATOM 392 CA ALA A 31 -2.057 -2.581 -2.428 1.00 0.00 C ATOM 393 C ALA A 31 -1.480 -3.999 -2.437 1.00 0.00 C ATOM 394 O ALA A 31 -2.217 -4.973 -2.298 1.00 0.00 O ATOM 395 CB ALA A 31 -2.226 -2.012 -3.838 1.00 0.00 C ATOM 0 H ALA A 31 -0.587 -1.103 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.047 -2.630 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.881 -2.663 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.665 -1.016 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.253 -1.951 -4.325 1.00 0.00 H new ATOM 401 N LYS A 32 -0.167 -4.068 -2.602 1.00 0.00 N ATOM 402 CA LYS A 32 0.517 -5.350 -2.631 1.00 0.00 C ATOM 403 C LYS A 32 0.473 -5.978 -1.237 1.00 0.00 C ATOM 404 O LYS A 32 0.679 -7.181 -1.088 1.00 0.00 O ATOM 405 CB LYS A 32 1.932 -5.189 -3.190 1.00 0.00 C ATOM 406 CG LYS A 32 2.035 -5.774 -4.600 1.00 0.00 C ATOM 407 CD LYS A 32 2.779 -7.112 -4.585 1.00 0.00 C ATOM 408 CE LYS A 32 4.293 -6.897 -4.619 1.00 0.00 C ATOM 409 NZ LYS A 32 4.915 -7.753 -5.654 1.00 0.00 N ATOM 0 H LYS A 32 0.441 -3.257 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 32 0.009 -6.038 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.201 -4.133 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.645 -5.687 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.036 -5.914 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.555 -5.072 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.508 -7.673 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.474 -7.712 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.513 -5.849 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.721 -7.127 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.943 -7.595 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.721 -8.752 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.519 -7.514 -6.586 1.00 0.00 H new ATOM 423 N ASP A 33 0.204 -5.135 -0.251 1.00 0.00 N ATOM 424 CA ASP A 33 0.130 -5.592 1.126 1.00 0.00 C ATOM 425 C ASP A 33 -1.061 -6.540 1.281 1.00 0.00 C ATOM 426 O ASP A 33 -0.884 -7.751 1.404 1.00 0.00 O ATOM 427 CB ASP A 33 -0.071 -4.419 2.086 1.00 0.00 C ATOM 428 CG ASP A 33 1.154 -4.055 2.928 1.00 0.00 C ATOM 429 OD1 ASP A 33 2.258 -4.498 2.545 1.00 0.00 O ATOM 430 OD2 ASP A 33 0.958 -3.341 3.935 1.00 0.00 O ATOM 0 H ASP A 33 0.035 -4.137 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 33 1.067 -6.096 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.370 -3.544 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.897 -4.655 2.757 1.00 0.00 H new ATOM 435 N LEU A 34 -2.249 -5.953 1.271 1.00 0.00 N ATOM 436 CA LEU A 34 -3.469 -6.729 1.409 1.00 0.00 C ATOM 437 C LEU A 34 -3.587 -7.699 0.231 1.00 0.00 C ATOM 438 O LEU A 34 -4.363 -8.652 0.283 1.00 0.00 O ATOM 439 CB LEU A 34 -4.677 -5.805 1.568 1.00 0.00 C ATOM 440 CG LEU A 34 -4.857 -5.167 2.947 1.00 0.00 C ATOM 441 CD1 LEU A 34 -5.141 -6.229 4.010 1.00 0.00 C ATOM 442 CD2 LEU A 34 -3.650 -4.300 3.311 1.00 0.00 C ATOM 0 H LEU A 34 -2.392 -4.948 1.169 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.437 -7.331 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.600 -5.008 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.577 -6.373 1.332 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.726 -4.510 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.265 -5.748 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.053 -6.767 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.308 -6.930 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.803 -3.858 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.751 -4.916 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.535 -3.507 2.572 1.00 0.00 H new ATOM 454 N GLY A 35 -2.805 -7.423 -0.802 1.00 0.00 N ATOM 455 CA GLY A 35 -2.812 -8.259 -1.990 1.00 0.00 C ATOM 456 C GLY A 35 -3.784 -7.714 -3.039 1.00 0.00 C ATOM 457 O GLY A 35 -4.152 -8.420 -3.976 1.00 0.00 O ATOM 0 H GLY A 35 -2.162 -6.632 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.808 -8.308 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.095 -9.277 -1.721 1.00 0.00 H new ATOM 461 N LEU A 36 -4.173 -6.462 -2.844 1.00 0.00 N ATOM 462 CA LEU A 36 -5.095 -5.814 -3.761 1.00 0.00 C ATOM 463 C LEU A 36 -4.314 -5.253 -4.952 1.00 0.00 C ATOM 464 O LEU A 36 -3.114 -5.000 -4.848 1.00 0.00 O ATOM 465 CB LEU A 36 -5.932 -4.765 -3.027 1.00 0.00 C ATOM 466 CG LEU A 36 -6.739 -5.270 -1.829 1.00 0.00 C ATOM 467 CD1 LEU A 36 -7.187 -4.108 -0.941 1.00 0.00 C ATOM 468 CD2 LEU A 36 -7.918 -6.131 -2.285 1.00 0.00 C ATOM 0 H LEU A 36 -3.866 -5.880 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.808 -6.537 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.266 -3.973 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.622 -4.315 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.092 -5.906 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.759 -4.494 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.312 -3.573 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.811 -3.427 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.474 -6.477 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.574 -5.540 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.546 -6.991 -2.843 1.00 0.00 H new ATOM 480 N SER A 37 -5.026 -5.076 -6.055 1.00 0.00 N ATOM 481 CA SER A 37 -4.414 -4.550 -7.264 1.00 0.00 C ATOM 482 C SER A 37 -4.596 -3.032 -7.324 1.00 0.00 C ATOM 483 O SER A 37 -5.499 -2.485 -6.693 1.00 0.00 O ATOM 484 CB SER A 37 -5.009 -5.205 -8.512 1.00 0.00 C ATOM 485 OG SER A 37 -4.000 -5.615 -9.431 1.00 0.00 O ATOM 0 H SER A 37 -6.020 -5.287 -6.137 1.00 0.00 H new ATOM 0 HA SER A 37 -3.349 -4.782 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.605 -6.069 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.684 -4.504 -9.003 1.00 0.00 H new ATOM 0 HG SER A 37 -4.419 -6.030 -10.214 1.00 0.00 H new ATOM 491 N LEU A 38 -3.723 -2.393 -8.090 1.00 0.00 N ATOM 492 CA LEU A 38 -3.776 -0.949 -8.241 1.00 0.00 C ATOM 493 C LEU A 38 -5.208 -0.528 -8.577 1.00 0.00 C ATOM 494 O LEU A 38 -5.831 0.220 -7.826 1.00 0.00 O ATOM 495 CB LEU A 38 -2.740 -0.479 -9.264 1.00 0.00 C ATOM 496 CG LEU A 38 -1.394 -0.024 -8.696 1.00 0.00 C ATOM 497 CD1 LEU A 38 -1.586 1.072 -7.646 1.00 0.00 C ATOM 498 CD2 LEU A 38 -0.600 -1.211 -8.147 1.00 0.00 C ATOM 0 H LEU A 38 -2.975 -2.849 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.511 -0.458 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.559 -1.292 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.169 0.346 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.808 0.406 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.615 1.378 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.081 1.929 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.199 0.690 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.352 -0.859 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.169 -1.693 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.417 -1.928 -8.948 1.00 0.00 H new ATOM 510 N ARG A 39 -5.687 -1.026 -9.708 1.00 0.00 N ATOM 511 CA ARG A 39 -7.033 -0.710 -10.153 1.00 0.00 C ATOM 512 C ARG A 39 -7.991 -0.668 -8.960 1.00 0.00 C ATOM 513 O ARG A 39 -8.638 0.349 -8.715 1.00 0.00 O ATOM 514 CB ARG A 39 -7.535 -1.743 -11.165 1.00 0.00 C ATOM 515 CG ARG A 39 -8.504 -1.106 -12.163 1.00 0.00 C ATOM 516 CD ARG A 39 -8.334 -1.715 -13.557 1.00 0.00 C ATOM 517 NE ARG A 39 -9.166 -2.933 -13.682 1.00 0.00 N ATOM 518 CZ ARG A 39 -8.945 -3.904 -14.577 1.00 0.00 C ATOM 519 NH1 ARG A 39 -7.917 -3.808 -15.431 1.00 0.00 N ATOM 520 NH2 ARG A 39 -9.752 -4.973 -14.619 1.00 0.00 N ATOM 0 H ARG A 39 -5.167 -1.646 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.002 0.268 -10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.689 -2.175 -11.699 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.032 -2.560 -10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.529 -1.249 -11.822 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.331 -0.031 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.621 -0.989 -14.318 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.286 -1.961 -13.730 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.957 -3.039 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.302 -2.995 -15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.749 -4.548 -16.113 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.535 -5.047 -13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.584 -5.713 -15.301 1.00 0.00 H new ATOM 534 N GLU A 40 -8.051 -1.785 -8.251 1.00 0.00 N ATOM 535 CA GLU A 40 -8.918 -1.889 -7.090 1.00 0.00 C ATOM 536 C GLU A 40 -8.662 -0.724 -6.131 1.00 0.00 C ATOM 537 O GLU A 40 -9.601 -0.076 -5.671 1.00 0.00 O ATOM 538 CB GLU A 40 -8.730 -3.233 -6.383 1.00 0.00 C ATOM 539 CG GLU A 40 -9.796 -4.237 -6.823 1.00 0.00 C ATOM 540 CD GLU A 40 -9.460 -4.828 -8.194 1.00 0.00 C ATOM 541 OE1 GLU A 40 -9.465 -4.044 -9.167 1.00 0.00 O ATOM 542 OE2 GLU A 40 -9.206 -6.051 -8.238 1.00 0.00 O ATOM 0 H GLU A 40 -7.513 -2.626 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.953 -1.836 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.739 -3.629 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.783 -3.091 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.873 -5.037 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.768 -3.746 -6.863 1.00 0.00 H new ATOM 549 N LEU A 41 -7.386 -0.494 -5.857 1.00 0.00 N ATOM 550 CA LEU A 41 -6.995 0.580 -4.961 1.00 0.00 C ATOM 551 C LEU A 41 -7.347 1.925 -5.600 1.00 0.00 C ATOM 552 O LEU A 41 -7.531 2.920 -4.900 1.00 0.00 O ATOM 553 CB LEU A 41 -5.519 0.449 -4.579 1.00 0.00 C ATOM 554 CG LEU A 41 -5.225 -0.344 -3.304 1.00 0.00 C ATOM 555 CD1 LEU A 41 -4.867 0.591 -2.147 1.00 0.00 C ATOM 556 CD2 LEU A 41 -6.390 -1.271 -2.953 1.00 0.00 C ATOM 0 H LEU A 41 -6.610 -1.034 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.550 0.516 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.990 -0.023 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.103 1.450 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.356 -0.976 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.663 0.002 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.983 1.172 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.700 1.266 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.155 -1.823 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.291 -0.679 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.555 -1.973 -3.770 1.00 0.00 H new ATOM 568 N ILE A 42 -7.430 1.912 -6.922 1.00 0.00 N ATOM 569 CA ILE A 42 -7.757 3.118 -7.664 1.00 0.00 C ATOM 570 C ILE A 42 -9.270 3.345 -7.618 1.00 0.00 C ATOM 571 O ILE A 42 -9.728 4.419 -7.231 1.00 0.00 O ATOM 572 CB ILE A 42 -7.189 3.046 -9.082 1.00 0.00 C ATOM 573 CG1 ILE A 42 -5.742 3.541 -9.119 1.00 0.00 C ATOM 574 CG2 ILE A 42 -8.080 3.803 -10.069 1.00 0.00 C ATOM 575 CD1 ILE A 42 -4.769 2.378 -9.322 1.00 0.00 C ATOM 0 H ILE A 42 -7.276 1.085 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.289 3.988 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.180 2.001 -9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.622 4.265 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.507 4.058 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.653 3.736 -11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.077 3.363 -10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.145 4.850 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.748 2.758 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.874 1.668 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.991 1.878 -10.265 1.00 0.00 H new ATOM 587 N THR A 43 -10.003 2.317 -8.019 1.00 0.00 N ATOM 588 CA THR A 43 -11.454 2.391 -8.028 1.00 0.00 C ATOM 589 C THR A 43 -11.969 2.929 -6.692 1.00 0.00 C ATOM 590 O THR A 43 -12.833 3.805 -6.662 1.00 0.00 O ATOM 591 CB THR A 43 -11.996 1.003 -8.375 1.00 0.00 C ATOM 592 OG1 THR A 43 -11.587 0.188 -7.280 1.00 0.00 O ATOM 593 CG2 THR A 43 -11.292 0.385 -9.584 1.00 0.00 C ATOM 0 H THR A 43 -9.619 1.428 -8.340 1.00 0.00 H new ATOM 0 HA THR A 43 -11.810 3.092 -8.783 1.00 0.00 H new ATOM 0 HB THR A 43 -13.066 1.070 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.655 0.388 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.714 -0.599 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.432 1.027 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.227 0.286 -9.374 1.00 0.00 H new ATOM 601 N ARG A 44 -11.418 2.382 -5.618 1.00 0.00 N ATOM 602 CA ARG A 44 -11.811 2.795 -4.282 1.00 0.00 C ATOM 603 C ARG A 44 -11.002 4.018 -3.845 1.00 0.00 C ATOM 604 O ARG A 44 -11.012 4.386 -2.671 1.00 0.00 O ATOM 605 CB ARG A 44 -11.602 1.665 -3.272 1.00 0.00 C ATOM 606 CG ARG A 44 -12.378 0.412 -3.682 1.00 0.00 C ATOM 607 CD ARG A 44 -12.257 -0.680 -2.617 1.00 0.00 C ATOM 608 NE ARG A 44 -11.053 -1.503 -2.871 1.00 0.00 N ATOM 609 CZ ARG A 44 -10.883 -2.749 -2.408 1.00 0.00 C ATOM 610 NH1 ARG A 44 -11.839 -3.323 -1.663 1.00 0.00 N ATOM 611 NH2 ARG A 44 -9.758 -3.421 -2.688 1.00 0.00 N ATOM 0 H ARG A 44 -10.702 1.656 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.871 3.048 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.540 1.431 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.927 1.991 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.428 0.663 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.999 0.040 -4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.197 -0.229 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.147 -1.310 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.306 -1.096 -3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.695 -2.811 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.710 -4.271 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.030 -2.984 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.629 -4.369 -2.335 1.00 0.00 H new ATOM 625 N GLY A 45 -10.320 4.613 -4.812 1.00 0.00 N ATOM 626 CA GLY A 45 -9.506 5.786 -4.542 1.00 0.00 C ATOM 627 C GLY A 45 -8.808 5.669 -3.186 1.00 0.00 C ATOM 628 O GLY A 45 -9.337 6.119 -2.170 1.00 0.00 O ATOM 0 H GLY A 45 -10.314 4.305 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.761 5.905 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.132 6.678 -4.557 1.00 0.00 H new ATOM 632 N ALA A 46 -7.631 5.062 -3.213 1.00 0.00 N ATOM 633 CA ALA A 46 -6.855 4.880 -1.998 1.00 0.00 C ATOM 634 C ALA A 46 -5.848 6.024 -1.865 1.00 0.00 C ATOM 635 O ALA A 46 -5.052 6.264 -2.771 1.00 0.00 O ATOM 636 CB ALA A 46 -6.179 3.508 -2.024 1.00 0.00 C ATOM 0 H ALA A 46 -7.196 4.690 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.503 4.907 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.597 3.372 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.939 2.729 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.519 3.444 -2.889 1.00 0.00 H new ATOM 642 N GLN A 47 -5.915 6.700 -0.727 1.00 0.00 N ATOM 643 CA GLN A 47 -5.019 7.814 -0.464 1.00 0.00 C ATOM 644 C GLN A 47 -4.522 7.764 0.982 1.00 0.00 C ATOM 645 O GLN A 47 -5.143 7.130 1.834 1.00 0.00 O ATOM 646 CB GLN A 47 -5.702 9.150 -0.764 1.00 0.00 C ATOM 647 CG GLN A 47 -7.083 9.219 -0.109 1.00 0.00 C ATOM 648 CD GLN A 47 -8.178 9.416 -1.160 1.00 0.00 C ATOM 649 OE1 GLN A 47 -9.092 8.449 -1.176 1.00 0.00 O flip ATOM 650 NE2 GLN A 47 -8.193 10.381 -1.905 1.00 0.00 N flip ATOM 0 H GLN A 47 -6.576 6.498 0.023 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.158 7.728 -1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.082 9.969 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.800 9.278 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.271 8.302 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.109 10.040 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.460 11.087 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.939 10.482 -2.594 1.00 0.00 H new ATOM 659 N ILE A 48 -3.407 8.441 1.214 1.00 0.00 N ATOM 660 CA ILE A 48 -2.819 8.482 2.542 1.00 0.00 C ATOM 661 C ILE A 48 -3.348 9.706 3.292 1.00 0.00 C ATOM 662 O ILE A 48 -3.343 10.815 2.759 1.00 0.00 O ATOM 663 CB ILE A 48 -1.293 8.427 2.455 1.00 0.00 C ATOM 664 CG1 ILE A 48 -0.837 7.286 1.543 1.00 0.00 C ATOM 665 CG2 ILE A 48 -0.667 8.333 3.848 1.00 0.00 C ATOM 666 CD1 ILE A 48 -1.630 6.009 1.825 1.00 0.00 C ATOM 0 H ILE A 48 -2.895 8.966 0.505 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.114 7.604 3.116 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.943 9.357 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.966 7.576 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.226 7.099 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.419 8.295 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.952 9.206 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.021 7.430 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.286 5.214 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.480 5.709 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.690 6.193 1.651 1.00 0.00 H new ATOM 678 N LEU A 49 -3.793 9.464 4.516 1.00 0.00 N ATOM 679 CA LEU A 49 -4.324 10.533 5.345 1.00 0.00 C ATOM 680 C LEU A 49 -3.166 11.353 5.917 1.00 0.00 C ATOM 681 O LEU A 49 -2.045 10.859 6.023 1.00 0.00 O ATOM 682 CB LEU A 49 -5.264 9.968 6.411 1.00 0.00 C ATOM 683 CG LEU A 49 -6.563 9.342 5.898 1.00 0.00 C ATOM 684 CD1 LEU A 49 -7.710 10.354 5.932 1.00 0.00 C ATOM 685 CD2 LEU A 49 -6.368 8.743 4.503 1.00 0.00 C ATOM 0 H LEU A 49 -3.797 8.543 4.954 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.931 11.213 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.722 9.214 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.519 10.770 7.103 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.836 8.524 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.621 9.884 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.866 10.693 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.461 11.208 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.305 8.304 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.060 9.526 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.600 7.971 4.543 1.00 0.00 H new ATOM 697 N SER A 50 -3.478 12.591 6.272 1.00 0.00 N ATOM 698 CA SER A 50 -2.477 13.483 6.831 1.00 0.00 C ATOM 699 C SER A 50 -2.246 13.152 8.307 1.00 0.00 C ATOM 700 O SER A 50 -3.139 12.636 8.978 1.00 0.00 O ATOM 701 CB SER A 50 -2.896 14.947 6.676 1.00 0.00 C ATOM 702 OG SER A 50 -2.164 15.807 7.545 1.00 0.00 O ATOM 0 H SER A 50 -4.410 12.997 6.183 1.00 0.00 H new ATOM 0 HA SER A 50 -1.546 13.338 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.743 15.260 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.962 15.043 6.884 1.00 0.00 H new ATOM 0 HG SER A 50 -2.459 16.732 7.415 1.00 0.00 H new ATOM 708 N LYS A 51 -1.043 13.461 8.769 1.00 0.00 N ATOM 709 CA LYS A 51 -0.684 13.202 10.152 1.00 0.00 C ATOM 710 C LYS A 51 -1.566 14.049 11.071 1.00 0.00 C ATOM 711 O LYS A 51 -2.435 13.521 11.763 1.00 0.00 O ATOM 712 CB LYS A 51 0.816 13.421 10.366 1.00 0.00 C ATOM 713 CG LYS A 51 1.507 12.119 10.777 1.00 0.00 C ATOM 714 CD LYS A 51 2.990 12.143 10.401 1.00 0.00 C ATOM 715 CE LYS A 51 3.833 12.730 11.534 1.00 0.00 C ATOM 716 NZ LYS A 51 4.205 11.675 12.503 1.00 0.00 N ATOM 0 H LYS A 51 -0.305 13.888 8.210 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.870 12.158 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.266 13.802 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.971 14.178 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.403 11.972 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.018 11.275 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.329 11.131 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.130 12.733 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.733 13.190 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.274 13.517 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.597 12.114 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.362 11.120 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.918 11.049 12.078 1.00 0.00 H new ATOM 730 N GLY A 52 -1.313 15.349 11.048 1.00 0.00 N ATOM 731 CA GLY A 52 -2.073 16.275 11.871 1.00 0.00 C ATOM 732 C GLY A 52 -1.884 17.716 11.393 1.00 0.00 C ATOM 733 O GLY A 52 -2.850 18.467 11.277 1.00 0.00 O ATOM 0 H GLY A 52 -0.592 15.784 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.130 16.013 11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.756 16.188 12.910 1.00 0.00 H new ATOM 737 N ASN A 53 -0.631 18.058 11.130 1.00 0.00 N ATOM 738 CA ASN A 53 -0.302 19.396 10.667 1.00 0.00 C ATOM 739 C ASN A 53 -0.146 19.381 9.146 1.00 0.00 C ATOM 740 O ASN A 53 -0.881 20.065 8.435 1.00 0.00 O ATOM 741 CB ASN A 53 1.016 19.880 11.274 1.00 0.00 C ATOM 742 CG ASN A 53 1.333 21.308 10.828 1.00 0.00 C ATOM 743 OD1 ASN A 53 0.559 22.232 11.017 1.00 0.00 O ATOM 744 ND2 ASN A 53 2.512 21.438 10.225 1.00 0.00 N ATOM 0 H ASN A 53 0.168 17.432 11.229 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.106 20.066 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.956 19.840 12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.825 19.214 10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.815 22.352 9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.113 20.623 10.098 1.00 0.00 H new ATOM 751 N LYS A 54 0.818 18.593 8.690 1.00 0.00 N ATOM 752 CA LYS A 54 1.080 18.480 7.265 1.00 0.00 C ATOM 753 C LYS A 54 1.200 17.002 6.889 1.00 0.00 C ATOM 754 O LYS A 54 1.432 16.155 7.750 1.00 0.00 O ATOM 755 CB LYS A 54 2.303 19.314 6.878 1.00 0.00 C ATOM 756 CG LYS A 54 2.234 19.740 5.410 1.00 0.00 C ATOM 757 CD LYS A 54 2.238 21.265 5.281 1.00 0.00 C ATOM 758 CE LYS A 54 2.615 21.693 3.861 1.00 0.00 C ATOM 759 NZ LYS A 54 1.682 22.731 3.369 1.00 0.00 N ATOM 0 H LYS A 54 1.426 18.027 9.282 1.00 0.00 H new ATOM 0 HA LYS A 54 0.249 18.889 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.362 20.197 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.211 18.736 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.082 19.323 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.332 19.335 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.253 21.658 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.944 21.692 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.635 22.077 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.592 20.830 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.951 23.011 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.714 22.352 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.725 23.561 3.995 1.00 0.00 H new ATOM 773 N GLN A 55 1.035 16.737 5.601 1.00 0.00 N ATOM 774 CA GLN A 55 1.121 15.375 5.100 1.00 0.00 C ATOM 775 C GLN A 55 2.576 15.015 4.791 1.00 0.00 C ATOM 776 O GLN A 55 3.284 15.780 4.138 1.00 0.00 O ATOM 777 CB GLN A 55 0.236 15.188 3.867 1.00 0.00 C ATOM 778 CG GLN A 55 0.180 13.717 3.450 1.00 0.00 C ATOM 779 CD GLN A 55 -1.263 13.270 3.206 1.00 0.00 C ATOM 780 OE1 GLN A 55 -1.992 12.914 4.117 1.00 0.00 O ATOM 781 NE2 GLN A 55 -1.632 13.309 1.929 1.00 0.00 N ATOM 0 H GLN A 55 0.842 17.442 4.889 1.00 0.00 H new ATOM 0 HA GLN A 55 0.756 14.699 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.771 15.548 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.622 15.789 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.768 13.570 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.630 13.098 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.971 13.618 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.576 13.030 1.662 1.00 0.00 H new ATOM 790 N LEU A 56 2.979 13.849 5.275 1.00 0.00 N ATOM 791 CA LEU A 56 4.336 13.378 5.059 1.00 0.00 C ATOM 792 C LEU A 56 4.294 12.025 4.345 1.00 0.00 C ATOM 793 O LEU A 56 5.264 11.270 4.381 1.00 0.00 O ATOM 794 CB LEU A 56 5.111 13.354 6.377 1.00 0.00 C ATOM 795 CG LEU A 56 5.138 14.666 7.164 1.00 0.00 C ATOM 796 CD1 LEU A 56 4.410 14.518 8.502 1.00 0.00 C ATOM 797 CD2 LEU A 56 6.571 15.168 7.344 1.00 0.00 C ATOM 0 H LEU A 56 2.389 13.217 5.816 1.00 0.00 H new ATOM 0 HA LEU A 56 4.879 14.065 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.682 12.580 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.139 13.059 6.166 1.00 0.00 H new ATOM 0 HG LEU A 56 4.603 15.421 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.444 15.465 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.372 14.240 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.895 13.744 9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.562 16.102 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.152 14.423 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.022 15.338 6.367 1.00 0.00 H new ATOM 809 N LEU A 57 3.160 11.760 3.713 1.00 0.00 N ATOM 810 CA LEU A 57 2.978 10.512 2.993 1.00 0.00 C ATOM 811 C LEU A 57 2.260 10.790 1.671 1.00 0.00 C ATOM 812 O LEU A 57 1.493 11.746 1.566 1.00 0.00 O ATOM 813 CB LEU A 57 2.267 9.483 3.874 1.00 0.00 C ATOM 814 CG LEU A 57 3.162 8.670 4.812 1.00 0.00 C ATOM 815 CD1 LEU A 57 2.331 7.711 5.667 1.00 0.00 C ATOM 816 CD2 LEU A 57 4.256 7.940 4.030 1.00 0.00 C ATOM 0 H LEU A 57 2.358 12.389 3.685 1.00 0.00 H new ATOM 0 HA LEU A 57 3.944 10.072 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.521 10.003 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.729 8.790 3.227 1.00 0.00 H new ATOM 0 HG LEU A 57 3.660 9.360 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.991 7.145 6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.621 8.280 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.788 7.023 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.878 7.370 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.798 7.262 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.873 8.667 3.502 1.00 0.00 H new ATOM 828 N GLN A 58 2.535 9.938 0.694 1.00 0.00 N ATOM 829 CA GLN A 58 1.924 10.081 -0.617 1.00 0.00 C ATOM 830 C GLN A 58 1.888 8.731 -1.335 1.00 0.00 C ATOM 831 O GLN A 58 2.933 8.152 -1.630 1.00 0.00 O ATOM 832 CB GLN A 58 2.662 11.128 -1.454 1.00 0.00 C ATOM 833 CG GLN A 58 1.682 12.132 -2.064 1.00 0.00 C ATOM 834 CD GLN A 58 2.397 13.426 -2.457 1.00 0.00 C ATOM 835 OE1 GLN A 58 3.590 13.455 -2.710 1.00 0.00 O ATOM 836 NE2 GLN A 58 1.603 14.493 -2.494 1.00 0.00 N ATOM 0 H GLN A 58 3.172 9.147 0.784 1.00 0.00 H new ATOM 0 HA GLN A 58 0.899 10.427 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.385 11.653 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.224 10.635 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.206 11.694 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.890 12.353 -1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.612 14.399 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.985 15.405 -2.746 1.00 0.00 H new ATOM 845 N LEU A 59 0.674 8.268 -1.596 1.00 0.00 N ATOM 846 CA LEU A 59 0.488 6.996 -2.274 1.00 0.00 C ATOM 847 C LEU A 59 0.484 7.226 -3.787 1.00 0.00 C ATOM 848 O LEU A 59 -0.519 7.665 -4.349 1.00 0.00 O ATOM 849 CB LEU A 59 -0.766 6.291 -1.756 1.00 0.00 C ATOM 850 CG LEU A 59 -1.295 5.143 -2.618 1.00 0.00 C ATOM 851 CD1 LEU A 59 -0.416 3.899 -2.474 1.00 0.00 C ATOM 852 CD2 LEU A 59 -2.762 4.848 -2.299 1.00 0.00 C ATOM 0 H LEU A 59 -0.190 8.751 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 59 1.317 6.323 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.555 5.903 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.557 7.033 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.248 5.451 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.814 3.098 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.601 4.133 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.407 3.578 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.113 4.028 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.857 4.569 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.363 5.736 -2.494 1.00 0.00 H new ATOM 864 N GLU A 60 1.616 6.919 -4.404 1.00 0.00 N ATOM 865 CA GLU A 60 1.755 7.087 -5.840 1.00 0.00 C ATOM 866 C GLU A 60 0.454 6.701 -6.548 1.00 0.00 C ATOM 867 O GLU A 60 -0.119 7.505 -7.282 1.00 0.00 O ATOM 868 CB GLU A 60 2.933 6.270 -6.376 1.00 0.00 C ATOM 869 CG GLU A 60 3.905 7.158 -7.156 1.00 0.00 C ATOM 870 CD GLU A 60 3.162 8.011 -8.187 1.00 0.00 C ATOM 871 OE1 GLU A 60 2.038 7.607 -8.553 1.00 0.00 O ATOM 872 OE2 GLU A 60 3.737 9.047 -8.586 1.00 0.00 O ATOM 0 H GLU A 60 2.445 6.555 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 60 1.960 8.138 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.456 5.792 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.564 5.473 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.446 7.805 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.647 6.537 -7.659 1.00 0.00 H new ATOM 879 N GLN A 61 0.025 5.472 -6.302 1.00 0.00 N ATOM 880 CA GLN A 61 -1.197 4.971 -6.906 1.00 0.00 C ATOM 881 C GLN A 61 -0.903 4.382 -8.288 1.00 0.00 C ATOM 882 O GLN A 61 -1.743 3.690 -8.863 1.00 0.00 O ATOM 883 CB GLN A 61 -2.257 6.070 -6.993 1.00 0.00 C ATOM 884 CG GLN A 61 -3.654 5.508 -6.724 1.00 0.00 C ATOM 885 CD GLN A 61 -4.732 6.389 -7.359 1.00 0.00 C ATOM 886 OE1 GLN A 61 -4.590 6.890 -8.462 1.00 0.00 O ATOM 887 NE2 GLN A 61 -5.814 6.550 -6.602 1.00 0.00 N ATOM 0 H GLN A 61 0.502 4.808 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.594 4.179 -6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.032 6.855 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.230 6.529 -7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.725 4.496 -7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.822 5.440 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.868 6.102 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.590 7.122 -6.936 1.00 0.00 H new ATOM 896 N LYS A 62 0.290 4.677 -8.780 1.00 0.00 N ATOM 897 CA LYS A 62 0.705 4.186 -10.083 1.00 0.00 C ATOM 898 C LYS A 62 1.465 2.869 -9.909 1.00 0.00 C ATOM 899 O LYS A 62 1.432 2.009 -10.787 1.00 0.00 O ATOM 900 CB LYS A 62 1.498 5.259 -10.833 1.00 0.00 C ATOM 901 CG LYS A 62 2.859 5.495 -10.175 1.00 0.00 C ATOM 902 CD LYS A 62 3.961 4.722 -10.901 1.00 0.00 C ATOM 903 CE LYS A 62 5.173 5.616 -11.168 1.00 0.00 C ATOM 904 NZ LYS A 62 5.304 5.894 -12.616 1.00 0.00 N ATOM 0 H LYS A 62 0.984 5.250 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.165 3.973 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.639 4.954 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.932 6.190 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.091 6.560 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.820 5.185 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.263 3.863 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.577 4.333 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.069 6.552 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.078 5.131 -10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.132 6.502 -12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.425 4.999 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.448 6.376 -12.956 1.00 0.00 H new ATOM 918 N SER A 63 2.131 2.754 -8.769 1.00 0.00 N ATOM 919 CA SER A 63 2.897 1.557 -8.468 1.00 0.00 C ATOM 920 C SER A 63 2.254 0.802 -7.303 1.00 0.00 C ATOM 921 O SER A 63 2.381 -0.417 -7.202 1.00 0.00 O ATOM 922 CB SER A 63 4.351 1.902 -8.139 1.00 0.00 C ATOM 923 OG SER A 63 5.270 1.119 -8.896 1.00 0.00 O ATOM 0 H SER A 63 2.156 3.470 -8.043 1.00 0.00 H new ATOM 0 HA SER A 63 2.894 0.919 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.526 2.959 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.530 1.743 -7.076 1.00 0.00 H new ATOM 0 HG SER A 63 6.187 1.370 -8.658 1.00 0.00 H new ATOM 929 N GLY A 64 1.576 1.559 -6.452 1.00 0.00 N ATOM 930 CA GLY A 64 0.912 0.977 -5.298 1.00 0.00 C ATOM 931 C GLY A 64 1.876 0.855 -4.115 1.00 0.00 C ATOM 932 O GLY A 64 1.898 -0.167 -3.431 1.00 0.00 O ATOM 0 H GLY A 64 1.472 2.570 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.059 1.594 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.521 -0.007 -5.557 1.00 0.00 H new ATOM 936 N ASN A 65 2.649 1.912 -3.911 1.00 0.00 N ATOM 937 CA ASN A 65 3.612 1.936 -2.824 1.00 0.00 C ATOM 938 C ASN A 65 3.397 3.197 -1.985 1.00 0.00 C ATOM 939 O ASN A 65 2.918 4.210 -2.493 1.00 0.00 O ATOM 940 CB ASN A 65 5.046 1.962 -3.358 1.00 0.00 C ATOM 941 CG ASN A 65 5.557 0.545 -3.625 1.00 0.00 C ATOM 942 OD1 ASN A 65 5.496 -0.334 -2.781 1.00 0.00 O ATOM 943 ND2 ASN A 65 6.065 0.373 -4.842 1.00 0.00 N ATOM 0 H ASN A 65 2.628 2.758 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 65 3.467 1.037 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.085 2.546 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.697 2.458 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.434 -0.537 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.086 1.151 -5.501 1.00 0.00 H new ATOM 950 N LEU A 66 3.761 3.095 -0.716 1.00 0.00 N ATOM 951 CA LEU A 66 3.614 4.215 0.198 1.00 0.00 C ATOM 952 C LEU A 66 4.896 5.049 0.186 1.00 0.00 C ATOM 953 O LEU A 66 5.919 4.631 0.726 1.00 0.00 O ATOM 954 CB LEU A 66 3.214 3.722 1.590 1.00 0.00 C ATOM 955 CG LEU A 66 1.901 4.276 2.146 1.00 0.00 C ATOM 956 CD1 LEU A 66 1.031 3.154 2.717 1.00 0.00 C ATOM 957 CD2 LEU A 66 2.162 5.378 3.174 1.00 0.00 C ATOM 0 H LEU A 66 4.158 2.253 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 66 2.805 4.869 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.144 2.635 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.015 3.972 2.286 1.00 0.00 H new ATOM 0 HG LEU A 66 1.346 4.728 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.104 3.575 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.802 2.435 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.567 2.652 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.212 5.754 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.748 4.974 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.713 6.192 2.703 1.00 0.00 H new ATOM 969 N LEU A 67 4.800 6.215 -0.437 1.00 0.00 N ATOM 970 CA LEU A 67 5.940 7.112 -0.527 1.00 0.00 C ATOM 971 C LEU A 67 5.761 8.258 0.471 1.00 0.00 C ATOM 972 O LEU A 67 4.635 8.632 0.798 1.00 0.00 O ATOM 973 CB LEU A 67 6.142 7.579 -1.970 1.00 0.00 C ATOM 974 CG LEU A 67 6.413 6.479 -2.998 1.00 0.00 C ATOM 975 CD1 LEU A 67 7.472 5.500 -2.488 1.00 0.00 C ATOM 976 CD2 LEU A 67 5.118 5.768 -3.395 1.00 0.00 C ATOM 0 H LEU A 67 3.950 6.559 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 67 6.858 6.591 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.254 8.129 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.975 8.282 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 67 6.813 6.945 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.645 4.728 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.402 6.036 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.125 5.037 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.339 4.991 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.665 5.317 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.426 6.489 -3.830 1.00 0.00 H new ATOM 988 N LEU A 68 6.888 8.784 0.928 1.00 0.00 N ATOM 989 CA LEU A 68 6.870 9.880 1.882 1.00 0.00 C ATOM 990 C LEU A 68 6.817 11.208 1.125 1.00 0.00 C ATOM 991 O LEU A 68 7.107 11.258 -0.070 1.00 0.00 O ATOM 992 CB LEU A 68 8.051 9.769 2.847 1.00 0.00 C ATOM 993 CG LEU A 68 8.193 8.435 3.584 1.00 0.00 C ATOM 994 CD1 LEU A 68 9.661 8.017 3.684 1.00 0.00 C ATOM 995 CD2 LEU A 68 7.518 8.493 4.956 1.00 0.00 C ATOM 0 H LEU A 68 7.820 8.471 0.655 1.00 0.00 H new ATOM 0 HA LEU A 68 5.975 9.831 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.969 9.952 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.965 10.563 3.588 1.00 0.00 H new ATOM 0 HG LEU A 68 7.679 7.668 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.733 7.066 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.077 7.909 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.220 8.778 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.633 7.533 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.982 9.275 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.458 8.712 4.831 1.00 0.00 H new ATOM 1007 N LYS A 69 6.445 12.252 1.851 1.00 0.00 N ATOM 1008 CA LYS A 69 6.350 13.577 1.263 1.00 0.00 C ATOM 1009 C LYS A 69 7.752 14.180 1.146 1.00 0.00 C ATOM 1010 O LYS A 69 8.124 14.695 0.092 1.00 0.00 O ATOM 1011 CB LYS A 69 5.371 14.447 2.055 1.00 0.00 C ATOM 1012 CG LYS A 69 4.796 15.561 1.179 1.00 0.00 C ATOM 1013 CD LYS A 69 3.804 15.000 0.158 1.00 0.00 C ATOM 1014 CE LYS A 69 2.363 15.315 0.563 1.00 0.00 C ATOM 1015 NZ LYS A 69 1.900 16.559 -0.092 1.00 0.00 N ATOM 0 H LYS A 69 6.206 12.207 2.842 1.00 0.00 H new ATOM 0 HA LYS A 69 5.942 13.517 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.561 13.829 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.879 14.882 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.298 16.301 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.605 16.075 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.010 15.423 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.934 13.921 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.712 14.487 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.298 15.422 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.865 16.626 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.334 17.380 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.175 16.547 -1.095 1.00 0.00 H new ATOM 1029 N GLU A 70 8.491 14.096 2.242 1.00 0.00 N ATOM 1030 CA GLU A 70 9.843 14.627 2.276 1.00 0.00 C ATOM 1031 C GLU A 70 10.525 14.259 3.595 1.00 0.00 C ATOM 1032 O GLU A 70 9.963 13.523 4.404 1.00 0.00 O ATOM 1033 CB GLU A 70 9.843 16.141 2.062 1.00 0.00 C ATOM 1034 CG GLU A 70 8.750 16.813 2.897 1.00 0.00 C ATOM 1035 CD GLU A 70 8.723 18.323 2.652 1.00 0.00 C ATOM 1036 OE1 GLU A 70 9.458 19.029 3.376 1.00 0.00 O ATOM 1037 OE2 GLU A 70 7.969 18.737 1.745 1.00 0.00 O ATOM 0 H GLU A 70 8.179 13.668 3.114 1.00 0.00 H new ATOM 0 HA GLU A 70 10.409 14.178 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.816 16.550 2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.687 16.363 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.780 16.383 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.923 16.616 3.955 1.00 0.00 H new ATOM 1044 N LYS A 71 11.727 14.788 3.771 1.00 0.00 N ATOM 1045 CA LYS A 71 12.491 14.524 4.978 1.00 0.00 C ATOM 1046 C LYS A 71 11.563 14.603 6.192 1.00 0.00 C ATOM 1047 O LYS A 71 10.971 15.647 6.458 1.00 0.00 O ATOM 1048 CB LYS A 71 13.697 15.462 5.064 1.00 0.00 C ATOM 1049 CG LYS A 71 14.700 14.972 6.110 1.00 0.00 C ATOM 1050 CD LYS A 71 15.943 15.863 6.138 1.00 0.00 C ATOM 1051 CE LYS A 71 16.826 15.612 4.915 1.00 0.00 C ATOM 1052 NZ LYS A 71 17.737 14.471 5.158 1.00 0.00 N ATOM 0 H LYS A 71 12.190 15.398 3.098 1.00 0.00 H new ATOM 0 HA LYS A 71 12.902 13.515 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.183 15.525 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.362 16.468 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.231 14.966 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.990 13.945 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.643 16.911 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.512 15.670 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.202 15.408 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.406 16.506 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.329 14.315 4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.345 14.680 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.178 13.616 5.352 1.00 0.00 H new ATOM 1066 N LEU A 72 11.465 13.484 6.895 1.00 0.00 N ATOM 1067 CA LEU A 72 10.619 13.413 8.074 1.00 0.00 C ATOM 1068 C LEU A 72 11.190 14.324 9.162 1.00 0.00 C ATOM 1069 O LEU A 72 12.349 14.184 9.548 1.00 0.00 O ATOM 1070 CB LEU A 72 10.441 11.960 8.519 1.00 0.00 C ATOM 1071 CG LEU A 72 9.890 10.998 7.464 1.00 0.00 C ATOM 1072 CD1 LEU A 72 8.756 11.647 6.669 1.00 0.00 C ATOM 1073 CD2 LEU A 72 11.008 10.484 6.554 1.00 0.00 C ATOM 0 H LEU A 72 11.957 12.619 6.671 1.00 0.00 H new ATOM 0 HA LEU A 72 9.617 13.777 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.407 11.583 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.774 11.944 9.381 1.00 0.00 H new ATOM 0 HG LEU A 72 9.469 10.133 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.383 10.942 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.948 11.922 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.128 12.540 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.590 9.802 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.480 11.325 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.751 9.958 7.153 1.00 0.00 H new ATOM 1085 N ASP A 73 10.350 15.238 9.625 1.00 0.00 N ATOM 1086 CA ASP A 73 10.756 16.172 10.661 1.00 0.00 C ATOM 1087 C ASP A 73 10.728 15.465 12.018 1.00 0.00 C ATOM 1088 O ASP A 73 9.709 14.896 12.404 1.00 0.00 O ATOM 1089 CB ASP A 73 9.804 17.367 10.730 1.00 0.00 C ATOM 1090 CG ASP A 73 10.220 18.575 9.889 1.00 0.00 C ATOM 1091 OD1 ASP A 73 10.909 18.348 8.871 1.00 0.00 O ATOM 1092 OD2 ASP A 73 9.840 19.699 10.284 1.00 0.00 O ATOM 0 H ASP A 73 9.389 15.352 9.301 1.00 0.00 H new ATOM 0 HA ASP A 73 11.759 16.525 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.814 17.043 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.714 17.681 11.770 1.00 0.00 H new ATOM 1097 N ARG A 74 11.860 15.526 12.705 1.00 0.00 N ATOM 1098 CA ARG A 74 11.978 14.900 14.010 1.00 0.00 C ATOM 1099 C ARG A 74 10.814 15.322 14.909 1.00 0.00 C ATOM 1100 O ARG A 74 9.856 14.571 15.084 1.00 0.00 O ATOM 1101 CB ARG A 74 13.298 15.277 14.685 1.00 0.00 C ATOM 1102 CG ARG A 74 14.487 14.652 13.953 1.00 0.00 C ATOM 1103 CD ARG A 74 15.487 15.725 13.517 1.00 0.00 C ATOM 1104 NE ARG A 74 16.869 15.269 13.790 1.00 0.00 N ATOM 1105 CZ ARG A 74 17.482 15.399 14.974 1.00 0.00 C ATOM 1106 NH1 ARG A 74 16.841 15.972 16.002 1.00 0.00 N ATOM 1107 NH2 ARG A 74 18.737 14.957 15.130 1.00 0.00 N ATOM 0 H ARG A 74 12.703 16.000 12.382 1.00 0.00 H new ATOM 0 HA ARG A 74 11.954 13.820 13.863 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.406 16.362 14.701 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.289 14.942 15.722 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.982 13.932 14.604 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.134 14.103 13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.368 15.935 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.290 16.655 14.050 1.00 0.00 H new ATOM 0 HE ARG A 74 17.386 14.829 13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.886 16.309 15.883 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.308 16.071 16.903 1.00 0.00 H new ATOM 0 HH21 ARG A 74 19.225 14.522 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.204 15.056 16.031 1.00 0.00 H new ATOM 1121 N GLU A 75 10.936 16.523 15.455 1.00 0.00 N ATOM 1122 CA GLU A 75 9.906 17.055 16.331 1.00 0.00 C ATOM 1123 C GLU A 75 8.518 16.680 15.808 1.00 0.00 C ATOM 1124 O GLU A 75 7.720 16.082 16.528 1.00 0.00 O ATOM 1125 CB GLU A 75 10.043 18.571 16.482 1.00 0.00 C ATOM 1126 CG GLU A 75 9.336 19.063 17.746 1.00 0.00 C ATOM 1127 CD GLU A 75 9.397 20.588 17.851 1.00 0.00 C ATOM 1128 OE1 GLU A 75 8.772 21.242 16.987 1.00 0.00 O ATOM 1129 OE2 GLU A 75 10.067 21.067 18.792 1.00 0.00 O ATOM 0 H GLU A 75 11.733 17.143 15.308 1.00 0.00 H new ATOM 0 HA GLU A 75 10.033 16.612 17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.098 18.842 16.522 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.620 19.067 15.608 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.296 18.737 17.735 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.801 18.616 18.624 1.00 0.00 H new ATOM 1136 N GLU A 76 8.273 17.046 14.558 1.00 0.00 N ATOM 1137 CA GLU A 76 6.995 16.755 13.930 1.00 0.00 C ATOM 1138 C GLU A 76 6.529 15.346 14.303 1.00 0.00 C ATOM 1139 O GLU A 76 5.377 15.152 14.689 1.00 0.00 O ATOM 1140 CB GLU A 76 7.081 16.920 12.412 1.00 0.00 C ATOM 1141 CG GLU A 76 5.688 17.087 11.799 1.00 0.00 C ATOM 1142 CD GLU A 76 5.638 18.304 10.874 1.00 0.00 C ATOM 1143 OE1 GLU A 76 6.127 19.369 11.310 1.00 0.00 O ATOM 1144 OE2 GLU A 76 5.113 18.142 9.751 1.00 0.00 O ATOM 0 H GLU A 76 8.938 17.541 13.963 1.00 0.00 H new ATOM 0 HA GLU A 76 6.259 17.469 14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.695 17.788 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.573 16.051 11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.423 16.190 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.949 17.198 12.592 1.00 0.00 H new ATOM 1151 N LEU A 77 7.447 14.400 14.175 1.00 0.00 N ATOM 1152 CA LEU A 77 7.145 13.015 14.493 1.00 0.00 C ATOM 1153 C LEU A 77 7.248 12.810 16.006 1.00 0.00 C ATOM 1154 O LEU A 77 6.233 12.695 16.691 1.00 0.00 O ATOM 1155 CB LEU A 77 8.036 12.072 13.682 1.00 0.00 C ATOM 1156 CG LEU A 77 8.245 12.444 12.213 1.00 0.00 C ATOM 1157 CD1 LEU A 77 9.696 12.211 11.790 1.00 0.00 C ATOM 1158 CD2 LEU A 77 7.258 11.698 11.313 1.00 0.00 C ATOM 0 H LEU A 77 8.401 14.565 13.855 1.00 0.00 H new ATOM 0 HA LEU A 77 6.122 12.773 14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.012 12.021 14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.606 11.071 13.725 1.00 0.00 H new ATOM 0 HG LEU A 77 8.044 13.509 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.818 12.483 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.357 12.824 12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.950 11.159 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.428 11.980 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.404 10.624 11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.238 11.958 11.597 1.00 0.00 H new ATOM 1170 N CYS A 78 8.484 12.770 16.482 1.00 0.00 N ATOM 1171 CA CYS A 78 8.733 12.581 17.901 1.00 0.00 C ATOM 1172 C CYS A 78 10.037 13.297 18.260 1.00 0.00 C ATOM 1173 O CYS A 78 10.014 14.367 18.867 1.00 0.00 O ATOM 1174 CB CYS A 78 8.775 11.098 18.275 1.00 0.00 C ATOM 1175 SG CYS A 78 9.373 9.988 16.948 1.00 0.00 S ATOM 0 H CYS A 78 9.323 12.865 15.910 1.00 0.00 H new ATOM 0 HA CYS A 78 7.913 13.011 18.477 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.416 10.976 19.148 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.774 10.783 18.569 1.00 0.00 H new ATOM 1180 N GLY A 79 11.141 12.679 17.869 1.00 0.00 N ATOM 1181 CA GLY A 79 12.452 13.244 18.142 1.00 0.00 C ATOM 1182 C GLY A 79 13.135 12.511 19.298 1.00 0.00 C ATOM 1183 O GLY A 79 13.123 12.986 20.432 1.00 0.00 O ATOM 0 H GLY A 79 11.155 11.792 17.365 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.073 13.180 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.353 14.302 18.386 1.00 0.00 H new ATOM 1187 N SER A 80 13.715 11.366 18.970 1.00 0.00 N ATOM 1188 CA SER A 80 14.402 10.562 19.967 1.00 0.00 C ATOM 1189 C SER A 80 13.392 9.714 20.742 1.00 0.00 C ATOM 1190 O SER A 80 13.511 8.491 20.791 1.00 0.00 O ATOM 1191 CB SER A 80 15.203 11.444 20.928 1.00 0.00 C ATOM 1192 OG SER A 80 16.513 10.931 21.155 1.00 0.00 O ATOM 0 H SER A 80 13.723 10.976 18.028 1.00 0.00 H new ATOM 0 HA SER A 80 15.101 9.903 19.453 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.274 12.453 20.521 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.673 11.520 21.878 1.00 0.00 H new ATOM 0 HG SER A 80 16.993 11.522 21.772 1.00 0.00 H new ATOM 1198 N THR A 81 12.421 10.397 21.330 1.00 0.00 N ATOM 1199 CA THR A 81 11.391 9.722 22.101 1.00 0.00 C ATOM 1200 C THR A 81 10.881 8.493 21.347 1.00 0.00 C ATOM 1201 O THR A 81 10.972 8.429 20.122 1.00 0.00 O ATOM 1202 CB THR A 81 10.293 10.739 22.418 1.00 0.00 C ATOM 1203 OG1 THR A 81 10.917 11.656 23.313 1.00 0.00 O ATOM 1204 CG2 THR A 81 9.153 10.134 23.239 1.00 0.00 C ATOM 0 H THR A 81 12.326 11.412 21.288 1.00 0.00 H new ATOM 0 HA THR A 81 11.786 9.346 23.044 1.00 0.00 H new ATOM 0 HB THR A 81 9.894 11.144 21.488 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.276 12.351 23.569 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.401 10.898 23.436 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.700 9.314 22.683 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.545 9.758 24.184 1.00 0.00 H new ATOM 1212 N ASN A 82 10.355 7.546 22.110 1.00 0.00 N ATOM 1213 CA ASN A 82 9.829 6.322 21.529 1.00 0.00 C ATOM 1214 C ASN A 82 8.437 6.048 22.100 1.00 0.00 C ATOM 1215 O ASN A 82 8.090 6.550 23.169 1.00 0.00 O ATOM 1216 CB ASN A 82 10.722 5.125 21.865 1.00 0.00 C ATOM 1217 CG ASN A 82 11.418 5.323 23.213 1.00 0.00 C ATOM 1218 OD1 ASN A 82 10.792 5.509 24.243 1.00 0.00 O ATOM 1219 ND2 ASN A 82 12.746 5.271 23.149 1.00 0.00 N ATOM 0 H ASN A 82 10.282 7.602 23.126 1.00 0.00 H new ATOM 0 HA ASN A 82 9.791 6.452 20.447 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.122 4.215 21.891 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.469 4.992 21.082 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.302 5.390 23.995 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.208 5.112 22.253 1.00 0.00 H new ATOM 1226 N PRO A 83 7.655 5.232 21.343 1.00 0.00 N ATOM 1227 CA PRO A 83 8.143 4.680 20.091 1.00 0.00 C ATOM 1228 C PRO A 83 8.156 5.744 18.991 1.00 0.00 C ATOM 1229 O PRO A 83 7.878 6.913 19.251 1.00 0.00 O ATOM 1230 CB PRO A 83 7.211 3.519 19.783 1.00 0.00 C ATOM 1231 CG PRO A 83 5.965 3.751 20.623 1.00 0.00 C ATOM 1232 CD PRO A 83 6.293 4.814 21.659 1.00 0.00 C ATOM 0 HA PRO A 83 9.176 4.338 20.156 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.966 3.486 18.721 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.678 2.566 20.032 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.135 4.074 19.994 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.655 2.826 21.110 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.598 5.652 21.600 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.226 4.415 22.671 1.00 0.00 H new ATOM 1240 N CYS A 84 8.482 5.300 17.786 1.00 0.00 N ATOM 1241 CA CYS A 84 8.536 6.199 16.646 1.00 0.00 C ATOM 1242 C CYS A 84 7.753 5.563 15.496 1.00 0.00 C ATOM 1243 O CYS A 84 8.341 5.124 14.509 1.00 0.00 O ATOM 1244 CB CYS A 84 9.977 6.521 16.247 1.00 0.00 C ATOM 1245 SG CYS A 84 10.383 8.305 16.209 1.00 0.00 S ATOM 0 H CYS A 84 8.712 4.329 17.574 1.00 0.00 H new ATOM 0 HA CYS A 84 8.081 7.153 16.910 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.652 6.024 16.944 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.169 6.098 15.261 1.00 0.00 H new ATOM 1250 N ILE A 85 6.439 5.535 15.661 1.00 0.00 N ATOM 1251 CA ILE A 85 5.570 4.960 14.648 1.00 0.00 C ATOM 1252 C ILE A 85 4.711 6.066 14.032 1.00 0.00 C ATOM 1253 O ILE A 85 3.987 6.763 14.741 1.00 0.00 O ATOM 1254 CB ILE A 85 4.756 3.804 15.234 1.00 0.00 C ATOM 1255 CG1 ILE A 85 5.673 2.689 15.740 1.00 0.00 C ATOM 1256 CG2 ILE A 85 3.730 3.288 14.223 1.00 0.00 C ATOM 1257 CD1 ILE A 85 4.872 1.609 16.469 1.00 0.00 C ATOM 0 H ILE A 85 5.955 5.901 16.481 1.00 0.00 H new ATOM 0 HA ILE A 85 6.161 4.527 13.841 1.00 0.00 H new ATOM 0 HB ILE A 85 4.200 4.179 16.094 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.209 2.245 14.901 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.423 3.107 16.412 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.165 2.467 14.665 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.048 4.094 13.953 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.245 2.935 13.330 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.548 0.828 16.818 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.357 2.051 17.322 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.140 1.176 15.787 1.00 0.00 H new ATOM 1269 N LEU A 86 4.820 6.193 12.717 1.00 0.00 N ATOM 1270 CA LEU A 86 4.063 7.203 11.998 1.00 0.00 C ATOM 1271 C LEU A 86 2.590 6.793 11.951 1.00 0.00 C ATOM 1272 O LEU A 86 2.266 5.670 11.566 1.00 0.00 O ATOM 1273 CB LEU A 86 4.676 7.450 10.618 1.00 0.00 C ATOM 1274 CG LEU A 86 4.221 8.723 9.900 1.00 0.00 C ATOM 1275 CD1 LEU A 86 4.881 8.842 8.525 1.00 0.00 C ATOM 1276 CD2 LEU A 86 2.695 8.786 9.811 1.00 0.00 C ATOM 0 H LEU A 86 5.421 5.613 12.132 1.00 0.00 H new ATOM 0 HA LEU A 86 4.112 8.159 12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.760 7.485 10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.446 6.596 9.982 1.00 0.00 H new ATOM 0 HG LEU A 86 4.545 9.582 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.541 9.755 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.964 8.875 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.609 7.981 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.398 9.700 9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.327 7.922 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.271 8.781 10.815 1.00 0.00 H new ATOM 1288 N HIS A 87 1.736 7.724 12.350 1.00 0.00 N ATOM 1289 CA HIS A 87 0.305 7.474 12.359 1.00 0.00 C ATOM 1290 C HIS A 87 -0.297 7.886 11.014 1.00 0.00 C ATOM 1291 O HIS A 87 -0.228 9.053 10.631 1.00 0.00 O ATOM 1292 CB HIS A 87 -0.362 8.172 13.546 1.00 0.00 C ATOM 1293 CG HIS A 87 0.208 9.535 13.855 1.00 0.00 C ATOM 1294 ND1 HIS A 87 1.330 9.718 14.645 1.00 0.00 N ATOM 1295 CD2 HIS A 87 -0.200 10.779 13.473 1.00 0.00 C ATOM 1296 CE1 HIS A 87 1.576 11.017 14.728 1.00 0.00 C ATOM 1297 NE2 HIS A 87 0.627 11.673 14.001 1.00 0.00 N ATOM 0 H HIS A 87 2.008 8.654 12.670 1.00 0.00 H new ATOM 0 HA HIS A 87 0.120 6.408 12.489 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.428 8.273 13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.264 7.540 14.428 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.052 10.999 12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.386 11.476 15.275 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.563 12.684 13.882 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.873 6.906 10.334 1.00 0.00 N ATOM 1306 CA PHE A 88 -1.486 7.153 9.040 1.00 0.00 C ATOM 1307 C PHE A 88 -2.734 6.287 8.850 1.00 0.00 C ATOM 1308 O PHE A 88 -3.053 5.458 9.701 1.00 0.00 O ATOM 1309 CB PHE A 88 -0.453 6.777 7.976 1.00 0.00 C ATOM 1310 CG PHE A 88 -0.448 5.291 7.610 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.308 4.417 8.326 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -1.201 4.845 6.569 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.312 3.038 7.987 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -1.197 3.467 6.229 1.00 0.00 C ATOM 1315 CZ PHE A 88 -0.441 2.592 6.945 1.00 0.00 C ATOM 0 H PHE A 88 -0.928 5.939 10.655 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.786 8.198 8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.644 7.362 7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.539 7.056 8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.906 4.771 9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.802 5.540 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.912 2.344 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.794 3.113 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.438 1.543 6.687 1.00 0.00 H new ATOM 1325 N GLN A 89 -3.405 6.510 7.730 1.00 0.00 N ATOM 1326 CA GLN A 89 -4.610 5.760 7.418 1.00 0.00 C ATOM 1327 C GLN A 89 -4.815 5.692 5.903 1.00 0.00 C ATOM 1328 O GLN A 89 -4.171 6.423 5.152 1.00 0.00 O ATOM 1329 CB GLN A 89 -5.830 6.372 8.110 1.00 0.00 C ATOM 1330 CG GLN A 89 -5.936 5.892 9.559 1.00 0.00 C ATOM 1331 CD GLN A 89 -5.680 7.041 10.536 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -4.583 7.565 10.645 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -6.749 7.401 11.240 1.00 0.00 N ATOM 0 H GLN A 89 -3.137 7.199 7.027 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.491 4.744 7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.758 7.459 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.735 6.101 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.927 5.473 9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.216 5.093 9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.638 6.920 11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.680 8.158 11.920 1.00 0.00 H new ATOM 1342 N VAL A 90 -5.714 4.807 5.499 1.00 0.00 N ATOM 1343 CA VAL A 90 -6.013 4.634 4.088 1.00 0.00 C ATOM 1344 C VAL A 90 -7.488 4.953 3.840 1.00 0.00 C ATOM 1345 O VAL A 90 -8.370 4.251 4.332 1.00 0.00 O ATOM 1346 CB VAL A 90 -5.623 3.223 3.640 1.00 0.00 C ATOM 1347 CG1 VAL A 90 -6.275 2.873 2.301 1.00 0.00 C ATOM 1348 CG2 VAL A 90 -4.102 3.073 3.565 1.00 0.00 C ATOM 0 H VAL A 90 -6.245 4.202 6.125 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.425 5.327 3.486 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.993 2.520 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.982 1.866 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.359 2.920 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.949 3.583 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.851 2.062 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.700 3.790 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.669 3.260 4.548 1.00 0.00 H new ATOM 1358 N LEU A 91 -7.711 6.013 3.077 1.00 0.00 N ATOM 1359 CA LEU A 91 -9.065 6.434 2.757 1.00 0.00 C ATOM 1360 C LEU A 91 -9.517 5.746 1.468 1.00 0.00 C ATOM 1361 O LEU A 91 -8.765 5.683 0.497 1.00 0.00 O ATOM 1362 CB LEU A 91 -9.153 7.960 2.704 1.00 0.00 C ATOM 1363 CG LEU A 91 -10.293 8.537 1.862 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -11.614 8.502 2.633 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -9.953 9.946 1.371 1.00 0.00 C ATOM 0 H LEU A 91 -6.977 6.593 2.671 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.756 6.126 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.255 8.334 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.210 8.345 2.316 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.418 7.910 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.408 8.918 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.857 7.471 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.519 9.092 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.780 10.333 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.786 10.599 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.051 9.911 0.760 1.00 0.00 H new ATOM 1377 N LEU A 92 -10.744 5.247 1.500 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.306 4.566 0.346 1.00 0.00 C ATOM 1379 C LEU A 92 -12.650 5.204 -0.013 1.00 0.00 C ATOM 1380 O LEU A 92 -13.333 5.749 0.852 1.00 0.00 O ATOM 1381 CB LEU A 92 -11.389 3.060 0.600 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.052 2.327 0.728 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -10.266 0.850 1.066 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -9.204 2.509 -0.532 1.00 0.00 C ATOM 0 H LEU A 92 -11.365 5.301 2.307 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.655 4.684 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.959 2.897 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.954 2.605 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.498 2.770 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.300 0.353 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.802 0.767 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.849 0.377 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.259 1.978 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.740 2.109 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.007 3.570 -0.688 1.00 0.00 H new ATOM 1396 N LYS A 93 -12.988 5.115 -1.291 1.00 0.00 N ATOM 1397 CA LYS A 93 -14.238 5.676 -1.775 1.00 0.00 C ATOM 1398 C LYS A 93 -15.265 4.554 -1.943 1.00 0.00 C ATOM 1399 O LYS A 93 -14.941 3.380 -1.771 1.00 0.00 O ATOM 1400 CB LYS A 93 -14.002 6.490 -3.049 1.00 0.00 C ATOM 1401 CG LYS A 93 -13.052 7.659 -2.785 1.00 0.00 C ATOM 1402 CD LYS A 93 -13.281 8.790 -3.790 1.00 0.00 C ATOM 1403 CE LYS A 93 -12.921 10.146 -3.180 1.00 0.00 C ATOM 1404 NZ LYS A 93 -12.000 10.887 -4.071 1.00 0.00 N ATOM 0 H LYS A 93 -12.418 4.663 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.648 6.377 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -13.586 5.846 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.953 6.867 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -13.202 8.032 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -12.020 7.315 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.678 8.617 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -14.324 8.795 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.827 10.730 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -12.455 10.001 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.766 11.805 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.129 10.335 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.458 11.042 -4.992 1.00 0.00 H new ATOM 1418 N SER A 94 -16.483 4.955 -2.278 1.00 0.00 N ATOM 1419 CA SER A 94 -17.559 3.999 -2.471 1.00 0.00 C ATOM 1420 C SER A 94 -16.998 2.683 -3.013 1.00 0.00 C ATOM 1421 O SER A 94 -16.577 2.612 -4.167 1.00 0.00 O ATOM 1422 CB SER A 94 -18.624 4.552 -3.419 1.00 0.00 C ATOM 1423 OG SER A 94 -18.552 5.971 -3.534 1.00 0.00 O ATOM 0 H SER A 94 -16.748 5.930 -2.421 1.00 0.00 H new ATOM 0 HA SER A 94 -18.031 3.816 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.501 4.102 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.613 4.267 -3.059 1.00 0.00 H new ATOM 0 HG SER A 94 -19.247 6.285 -4.149 1.00 0.00 H new ATOM 1429 N PRO A 95 -17.011 1.646 -2.133 1.00 0.00 N ATOM 1430 CA PRO A 95 -17.528 1.815 -0.786 1.00 0.00 C ATOM 1431 C PRO A 95 -16.538 2.589 0.088 1.00 0.00 C ATOM 1432 O PRO A 95 -15.389 2.179 0.244 1.00 0.00 O ATOM 1433 CB PRO A 95 -17.785 0.403 -0.283 1.00 0.00 C ATOM 1434 CG PRO A 95 -16.973 -0.514 -1.183 1.00 0.00 C ATOM 1435 CD PRO A 95 -16.536 0.291 -2.397 1.00 0.00 C ATOM 0 HA PRO A 95 -18.443 2.407 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.481 0.298 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.846 0.158 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.105 -0.902 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.569 -1.374 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.453 0.268 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.969 -0.109 -3.314 1.00 0.00 H new ATOM 1443 N VAL A 96 -17.021 3.695 0.635 1.00 0.00 N ATOM 1444 CA VAL A 96 -16.193 4.531 1.488 1.00 0.00 C ATOM 1445 C VAL A 96 -15.802 3.743 2.740 1.00 0.00 C ATOM 1446 O VAL A 96 -16.643 3.086 3.353 1.00 0.00 O ATOM 1447 CB VAL A 96 -16.923 5.837 1.807 1.00 0.00 C ATOM 1448 CG1 VAL A 96 -16.320 6.515 3.040 1.00 0.00 C ATOM 1449 CG2 VAL A 96 -16.911 6.780 0.602 1.00 0.00 C ATOM 0 H VAL A 96 -17.975 4.032 0.504 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.271 4.807 0.976 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.961 5.594 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -16.857 7.441 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.404 5.849 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.269 6.738 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -17.436 7.701 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.881 7.012 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.407 6.299 -0.241 1.00 0.00 H new ATOM 1459 N GLN A 97 -14.526 3.835 3.084 1.00 0.00 N ATOM 1460 CA GLN A 97 -14.013 3.140 4.252 1.00 0.00 C ATOM 1461 C GLN A 97 -12.590 3.607 4.565 1.00 0.00 C ATOM 1462 O GLN A 97 -11.888 4.102 3.686 1.00 0.00 O ATOM 1463 CB GLN A 97 -14.061 1.624 4.052 1.00 0.00 C ATOM 1464 CG GLN A 97 -13.272 0.901 5.146 1.00 0.00 C ATOM 1465 CD GLN A 97 -13.327 -0.615 4.951 1.00 0.00 C ATOM 1466 OE1 GLN A 97 -14.357 -1.190 4.640 1.00 0.00 O ATOM 1467 NE2 GLN A 97 -12.164 -1.229 5.150 1.00 0.00 N ATOM 0 H GLN A 97 -13.832 4.381 2.574 1.00 0.00 H new ATOM 0 HA GLN A 97 -14.649 3.382 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.097 1.285 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.651 1.369 3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.235 1.236 5.133 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.678 1.160 6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.339 -0.688 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.097 -2.241 5.044 1.00 0.00 H new ATOM 1476 N PHE A 98 -12.207 3.431 5.822 1.00 0.00 N ATOM 1477 CA PHE A 98 -10.881 3.828 6.262 1.00 0.00 C ATOM 1478 C PHE A 98 -10.165 2.670 6.960 1.00 0.00 C ATOM 1479 O PHE A 98 -10.808 1.735 7.436 1.00 0.00 O ATOM 1480 CB PHE A 98 -11.065 4.974 7.259 1.00 0.00 C ATOM 1481 CG PHE A 98 -11.544 6.281 6.624 1.00 0.00 C ATOM 1482 CD1 PHE A 98 -12.746 6.328 5.991 1.00 0.00 C ATOM 1483 CD2 PHE A 98 -10.767 7.395 6.693 1.00 0.00 C ATOM 1484 CE1 PHE A 98 -13.191 7.541 5.402 1.00 0.00 C ATOM 1485 CE2 PHE A 98 -11.212 8.608 6.104 1.00 0.00 C ATOM 1486 CZ PHE A 98 -12.415 8.655 5.471 1.00 0.00 C ATOM 0 H PHE A 98 -12.792 3.019 6.549 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.279 4.128 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.782 4.668 8.020 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -10.118 5.155 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.362 5.443 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.812 7.357 7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.146 7.579 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.595 9.493 6.159 1.00 0.00 H new ATOM 0 HZ PHE A 98 -12.754 9.578 5.023 1.00 0.00 H new ATOM 1496 N ILE A 99 -8.845 2.770 7.000 1.00 0.00 N ATOM 1497 CA ILE A 99 -8.035 1.742 7.632 1.00 0.00 C ATOM 1498 C ILE A 99 -7.083 2.395 8.636 1.00 0.00 C ATOM 1499 O ILE A 99 -6.852 3.602 8.584 1.00 0.00 O ATOM 1500 CB ILE A 99 -7.326 0.893 6.575 1.00 0.00 C ATOM 1501 CG1 ILE A 99 -8.336 0.114 5.730 1.00 0.00 C ATOM 1502 CG2 ILE A 99 -6.286 -0.027 7.218 1.00 0.00 C ATOM 1503 CD1 ILE A 99 -8.869 0.973 4.582 1.00 0.00 C ATOM 0 H ILE A 99 -8.316 3.547 6.605 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.665 1.051 8.192 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.791 1.562 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.865 -0.783 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.164 -0.215 6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.797 -0.619 6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.542 0.574 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.778 -0.692 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.585 0.395 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.361 1.857 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.041 1.280 3.942 1.00 0.00 H new ATOM 1515 N GLN A 100 -6.557 1.568 9.528 1.00 0.00 N ATOM 1516 CA GLN A 100 -5.635 2.050 10.543 1.00 0.00 C ATOM 1517 C GLN A 100 -4.359 1.205 10.545 1.00 0.00 C ATOM 1518 O GLN A 100 -4.265 0.218 11.272 1.00 0.00 O ATOM 1519 CB GLN A 100 -6.293 2.052 11.924 1.00 0.00 C ATOM 1520 CG GLN A 100 -7.802 2.278 11.812 1.00 0.00 C ATOM 1521 CD GLN A 100 -8.402 2.653 13.169 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -7.704 2.897 14.139 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -9.732 2.683 13.182 1.00 0.00 N ATOM 0 H GLN A 100 -6.752 0.568 9.569 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.366 3.079 10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.100 1.103 12.424 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.849 2.833 12.541 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.002 3.070 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.282 1.375 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.255 2.468 12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.228 2.921 14.041 1.00 0.00 H new ATOM 1532 N GLY A 101 -3.409 1.625 9.722 1.00 0.00 N ATOM 1533 CA GLY A 101 -2.143 0.920 9.620 1.00 0.00 C ATOM 1534 C GLY A 101 -1.089 1.549 10.535 1.00 0.00 C ATOM 1535 O GLY A 101 -1.385 2.485 11.276 1.00 0.00 O ATOM 0 H GLY A 101 -3.491 2.444 9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.283 -0.127 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.793 0.941 8.588 1.00 0.00 H new ATOM 1539 N GLU A 102 0.117 1.008 10.453 1.00 0.00 N ATOM 1540 CA GLU A 102 1.216 1.504 11.265 1.00 0.00 C ATOM 1541 C GLU A 102 2.486 1.627 10.421 1.00 0.00 C ATOM 1542 O GLU A 102 2.557 1.088 9.317 1.00 0.00 O ATOM 1543 CB GLU A 102 1.450 0.604 12.480 1.00 0.00 C ATOM 1544 CG GLU A 102 0.271 0.678 13.452 1.00 0.00 C ATOM 1545 CD GLU A 102 0.725 0.401 14.887 1.00 0.00 C ATOM 1546 OE1 GLU A 102 1.401 -0.633 15.078 1.00 0.00 O ATOM 1547 OE2 GLU A 102 0.386 1.229 15.759 1.00 0.00 O ATOM 0 H GLU A 102 0.358 0.231 9.837 1.00 0.00 H new ATOM 0 HA GLU A 102 0.951 2.495 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.592 -0.426 12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.365 0.905 12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.189 1.664 13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.490 -0.046 13.162 1.00 0.00 H new ATOM 1554 N ILE A 103 3.458 2.340 10.972 1.00 0.00 N ATOM 1555 CA ILE A 103 4.721 2.541 10.283 1.00 0.00 C ATOM 1556 C ILE A 103 5.871 2.382 11.280 1.00 0.00 C ATOM 1557 O ILE A 103 6.130 3.278 12.082 1.00 0.00 O ATOM 1558 CB ILE A 103 4.724 3.883 9.549 1.00 0.00 C ATOM 1559 CG1 ILE A 103 3.722 3.879 8.394 1.00 0.00 C ATOM 1560 CG2 ILE A 103 6.135 4.250 9.083 1.00 0.00 C ATOM 1561 CD1 ILE A 103 3.976 5.050 7.443 1.00 0.00 C ATOM 0 H ILE A 103 3.396 2.785 11.888 1.00 0.00 H new ATOM 0 HA ILE A 103 4.859 1.783 9.512 1.00 0.00 H new ATOM 0 HB ILE A 103 4.405 4.655 10.249 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.796 2.939 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.707 3.939 8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.109 5.208 8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.796 4.323 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.506 3.481 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.250 5.023 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.877 5.989 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.983 4.973 7.032 1.00 0.00 H new ATOM 1573 N GLN A 104 6.530 1.235 11.197 1.00 0.00 N ATOM 1574 CA GLN A 104 7.646 0.947 12.081 1.00 0.00 C ATOM 1575 C GLN A 104 8.972 1.239 11.375 1.00 0.00 C ATOM 1576 O GLN A 104 9.055 1.169 10.150 1.00 0.00 O ATOM 1577 CB GLN A 104 7.595 -0.499 12.576 1.00 0.00 C ATOM 1578 CG GLN A 104 6.286 -0.779 13.318 1.00 0.00 C ATOM 1579 CD GLN A 104 6.557 -1.271 14.741 1.00 0.00 C ATOM 1580 OE1 GLN A 104 7.059 -0.551 15.590 1.00 0.00 O ATOM 1581 NE2 GLN A 104 6.199 -2.534 14.955 1.00 0.00 N ATOM 0 H GLN A 104 6.312 0.494 10.531 1.00 0.00 H new ATOM 0 HA GLN A 104 7.570 1.597 12.953 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.691 -1.180 11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.440 -0.691 13.237 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.682 0.128 13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.709 -1.527 12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.784 -3.081 14.201 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.339 -2.955 15.873 1.00 0.00 H new ATOM 1590 N LEU A 105 9.975 1.559 12.179 1.00 0.00 N ATOM 1591 CA LEU A 105 11.293 1.862 11.646 1.00 0.00 C ATOM 1592 C LEU A 105 12.108 0.570 11.551 1.00 0.00 C ATOM 1593 O LEU A 105 12.243 -0.157 12.534 1.00 0.00 O ATOM 1594 CB LEU A 105 11.968 2.955 12.476 1.00 0.00 C ATOM 1595 CG LEU A 105 13.497 2.917 12.519 1.00 0.00 C ATOM 1596 CD1 LEU A 105 14.096 3.427 11.207 1.00 0.00 C ATOM 1597 CD2 LEU A 105 14.031 3.686 13.729 1.00 0.00 C ATOM 0 H LEU A 105 9.902 1.615 13.195 1.00 0.00 H new ATOM 0 HA LEU A 105 11.213 2.265 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.659 3.924 12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.594 2.891 13.498 1.00 0.00 H new ATOM 0 HG LEU A 105 13.809 1.879 12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.184 3.389 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.754 2.800 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.777 4.455 11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.120 3.643 13.736 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.709 4.726 13.670 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.645 3.238 14.644 1.00 0.00 H new ATOM 1609 N GLN A 106 12.631 0.325 10.359 1.00 0.00 N ATOM 1610 CA GLN A 106 13.430 -0.866 10.123 1.00 0.00 C ATOM 1611 C GLN A 106 14.331 -1.149 11.327 1.00 0.00 C ATOM 1612 O GLN A 106 15.314 -0.444 11.550 1.00 0.00 O ATOM 1613 CB GLN A 106 14.255 -0.728 8.841 1.00 0.00 C ATOM 1614 CG GLN A 106 13.699 -1.623 7.732 1.00 0.00 C ATOM 1615 CD GLN A 106 13.873 -3.102 8.084 1.00 0.00 C ATOM 1616 OE1 GLN A 106 14.662 -3.476 8.936 1.00 0.00 O ATOM 1617 NE2 GLN A 106 13.094 -3.920 7.382 1.00 0.00 N ATOM 0 H GLN A 106 12.517 0.931 9.546 1.00 0.00 H new ATOM 0 HA GLN A 106 12.755 -1.712 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 106 14.250 0.311 8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.293 -0.994 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.642 -1.404 7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 106 14.210 -1.406 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.455 -3.541 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.135 -4.926 7.543 1.00 0.00 H new ATOM 1626 N ASP A 107 13.962 -2.181 12.071 1.00 0.00 N ATOM 1627 CA ASP A 107 14.725 -2.565 13.247 1.00 0.00 C ATOM 1628 C ASP A 107 14.131 -3.845 13.838 1.00 0.00 C ATOM 1629 O ASP A 107 12.913 -3.968 13.966 1.00 0.00 O ATOM 1630 CB ASP A 107 14.667 -1.477 14.321 1.00 0.00 C ATOM 1631 CG ASP A 107 15.439 -1.793 15.604 1.00 0.00 C ATOM 1632 OD1 ASP A 107 14.973 -2.689 16.340 1.00 0.00 O ATOM 1633 OD2 ASP A 107 16.477 -1.131 15.819 1.00 0.00 O ATOM 0 H ASP A 107 13.146 -2.763 11.883 1.00 0.00 H new ATOM 0 HA ASP A 107 15.761 -2.716 12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.056 -0.550 13.899 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.623 -1.296 14.578 1.00 0.00 H new ATOM 1638 N VAL A 108 15.018 -4.766 14.184 1.00 0.00 N ATOM 1639 CA VAL A 108 14.597 -6.033 14.759 1.00 0.00 C ATOM 1640 C VAL A 108 13.470 -5.782 15.763 1.00 0.00 C ATOM 1641 O VAL A 108 13.289 -4.659 16.231 1.00 0.00 O ATOM 1642 CB VAL A 108 15.798 -6.753 15.375 1.00 0.00 C ATOM 1643 CG1 VAL A 108 16.239 -6.072 16.672 1.00 0.00 C ATOM 1644 CG2 VAL A 108 15.489 -8.233 15.610 1.00 0.00 C ATOM 0 H VAL A 108 16.027 -4.660 14.077 1.00 0.00 H new ATOM 0 HA VAL A 108 14.203 -6.692 13.985 1.00 0.00 H new ATOM 0 HB VAL A 108 16.624 -6.692 14.667 1.00 0.00 H new ATOM 0 HG11 VAL A 108 17.094 -6.603 17.089 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.520 -5.040 16.464 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.418 -6.087 17.388 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.359 -8.721 16.048 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.641 -8.324 16.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.246 -8.709 14.660 1.00 0.00 H new ATOM 1654 N ASN A 109 12.743 -6.847 16.066 1.00 0.00 N ATOM 1655 CA ASN A 109 11.639 -6.757 17.006 1.00 0.00 C ATOM 1656 C ASN A 109 12.051 -7.398 18.333 1.00 0.00 C ATOM 1657 O ASN A 109 11.914 -8.607 18.512 1.00 0.00 O ATOM 1658 CB ASN A 109 10.408 -7.501 16.484 1.00 0.00 C ATOM 1659 CG ASN A 109 9.136 -7.013 17.179 1.00 0.00 C ATOM 1660 OD1 ASN A 109 8.953 -5.835 17.439 1.00 0.00 O ATOM 1661 ND2 ASN A 109 8.270 -7.980 17.465 1.00 0.00 N ATOM 0 H ASN A 109 12.897 -7.777 15.677 1.00 0.00 H new ATOM 0 HA ASN A 109 11.394 -5.703 17.138 1.00 0.00 H new ATOM 0 HB2 ASN A 109 10.318 -7.353 15.408 1.00 0.00 H new ATOM 0 HB3 ASN A 109 10.529 -8.572 16.649 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.390 -7.756 17.930 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.485 -8.946 17.220 1.00 0.00 H new ATOM 1668 N ASP A 110 12.548 -6.558 19.230 1.00 0.00 N ATOM 1669 CA ASP A 110 12.981 -7.027 20.535 1.00 0.00 C ATOM 1670 C ASP A 110 12.788 -5.911 21.563 1.00 0.00 C ATOM 1671 O ASP A 110 13.018 -4.740 21.265 1.00 0.00 O ATOM 1672 CB ASP A 110 14.464 -7.404 20.520 1.00 0.00 C ATOM 1673 CG ASP A 110 14.824 -8.643 21.343 1.00 0.00 C ATOM 1674 OD1 ASP A 110 13.968 -9.551 21.407 1.00 0.00 O ATOM 1675 OD2 ASP A 110 15.949 -8.654 21.889 1.00 0.00 O ATOM 0 H ASP A 110 12.660 -5.556 19.078 1.00 0.00 H new ATOM 0 HA ASP A 110 12.388 -7.905 20.792 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.771 -7.570 19.487 1.00 0.00 H new ATOM 0 HB3 ASP A 110 15.042 -6.558 20.892 1.00 0.00 H new ATOM 1680 N HIS A 111 12.366 -6.313 22.753 1.00 0.00 N ATOM 1681 CA HIS A 111 12.138 -5.362 23.827 1.00 0.00 C ATOM 1682 C HIS A 111 11.915 -6.114 25.140 1.00 0.00 C ATOM 1683 O HIS A 111 10.930 -6.837 25.286 1.00 0.00 O ATOM 1684 CB HIS A 111 10.985 -4.417 23.481 1.00 0.00 C ATOM 1685 CG HIS A 111 10.966 -3.147 24.297 1.00 0.00 C ATOM 1686 ND1 HIS A 111 9.984 -2.871 25.233 1.00 0.00 N ATOM 1687 CD2 HIS A 111 11.819 -2.082 24.309 1.00 0.00 C ATOM 1688 CE1 HIS A 111 10.244 -1.691 25.776 1.00 0.00 C ATOM 1689 NE2 HIS A 111 11.380 -1.203 25.202 1.00 0.00 N ATOM 0 H HIS A 111 12.176 -7.285 22.997 1.00 0.00 H new ATOM 0 HA HIS A 111 13.020 -4.734 23.954 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.047 -4.157 22.424 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.042 -4.943 23.625 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.701 -1.973 23.696 1.00 0.00 H new ATOM 0 HE1 HIS A 111 9.658 -1.201 26.540 1.00 0.00 H new ATOM 0 HE2 HIS A 111 11.820 -0.310 25.422 1.00 0.00 H new ATOM 1697 N ALA A 112 12.845 -5.918 26.063 1.00 0.00 N ATOM 1698 CA ALA A 112 12.762 -6.569 27.360 1.00 0.00 C ATOM 1699 C ALA A 112 13.815 -5.970 28.294 1.00 0.00 C ATOM 1700 O ALA A 112 14.986 -5.866 27.931 1.00 0.00 O ATOM 1701 CB ALA A 112 12.929 -8.080 27.184 1.00 0.00 C ATOM 0 H ALA A 112 13.660 -5.318 25.939 1.00 0.00 H new ATOM 0 HA ALA A 112 11.785 -6.400 27.813 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.867 -8.569 28.156 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.140 -8.460 26.536 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.900 -8.289 26.734 1.00 0.00 H new ATOM 1707 N PRO A 113 13.349 -5.583 29.512 1.00 0.00 N ATOM 1708 CA PRO A 113 14.237 -4.997 30.502 1.00 0.00 C ATOM 1709 C PRO A 113 15.124 -6.067 31.143 1.00 0.00 C ATOM 1710 O PRO A 113 14.918 -7.260 30.928 1.00 0.00 O ATOM 1711 CB PRO A 113 13.318 -4.312 31.499 1.00 0.00 C ATOM 1712 CG PRO A 113 11.944 -4.928 31.291 1.00 0.00 C ATOM 1713 CD PRO A 113 11.969 -5.691 29.977 1.00 0.00 C ATOM 0 HA PRO A 113 14.936 -4.281 30.069 1.00 0.00 H new ATOM 0 HB2 PRO A 113 13.665 -4.467 32.521 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.293 -3.235 31.331 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.697 -5.596 32.116 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.178 -4.153 31.268 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.679 -6.732 30.118 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.273 -5.261 29.256 1.00 0.00 H new ATOM 1721 N GLU A 114 16.092 -5.600 31.918 1.00 0.00 N ATOM 1722 CA GLU A 114 17.012 -6.501 32.592 1.00 0.00 C ATOM 1723 C GLU A 114 16.657 -6.608 34.076 1.00 0.00 C ATOM 1724 O GLU A 114 16.261 -5.622 34.696 1.00 0.00 O ATOM 1725 CB GLU A 114 18.460 -6.047 32.406 1.00 0.00 C ATOM 1726 CG GLU A 114 19.276 -7.106 31.662 1.00 0.00 C ATOM 1727 CD GLU A 114 19.596 -8.293 32.574 1.00 0.00 C ATOM 1728 OE1 GLU A 114 19.821 -8.039 33.777 1.00 0.00 O ATOM 1729 OE2 GLU A 114 19.607 -9.426 32.048 1.00 0.00 O ATOM 0 H GLU A 114 16.259 -4.609 32.094 1.00 0.00 H new ATOM 0 HA GLU A 114 16.916 -7.490 32.143 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.482 -5.109 31.851 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.911 -5.852 33.379 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.721 -7.452 30.790 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.203 -6.665 31.295 1.00 0.00 H new ATOM 1736 N PHE A 115 16.811 -7.814 34.603 1.00 0.00 N ATOM 1737 CA PHE A 115 16.512 -8.063 36.003 1.00 0.00 C ATOM 1738 C PHE A 115 17.209 -9.333 36.496 1.00 0.00 C ATOM 1739 O PHE A 115 17.970 -9.954 35.756 1.00 0.00 O ATOM 1740 CB PHE A 115 14.998 -8.252 36.110 1.00 0.00 C ATOM 1741 CG PHE A 115 14.425 -7.923 37.491 1.00 0.00 C ATOM 1742 CD1 PHE A 115 14.462 -6.645 37.954 1.00 0.00 C ATOM 1743 CD2 PHE A 115 13.880 -8.908 38.254 1.00 0.00 C ATOM 1744 CE1 PHE A 115 13.931 -6.339 39.235 1.00 0.00 C ATOM 1745 CE2 PHE A 115 13.349 -8.602 39.534 1.00 0.00 C ATOM 1746 CZ PHE A 115 13.385 -7.324 39.998 1.00 0.00 C ATOM 0 H PHE A 115 17.139 -8.629 34.085 1.00 0.00 H new ATOM 0 HA PHE A 115 16.862 -7.230 36.612 1.00 0.00 H new ATOM 0 HB2 PHE A 115 14.510 -7.622 35.366 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.753 -9.285 35.863 1.00 0.00 H new ATOM 0 HD1 PHE A 115 14.895 -5.863 37.348 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.851 -9.923 37.886 1.00 0.00 H new ATOM 0 HE1 PHE A 115 13.961 -5.324 39.603 1.00 0.00 H new ATOM 0 HE2 PHE A 115 12.916 -9.384 40.140 1.00 0.00 H new ATOM 0 HZ PHE A 115 12.980 -7.091 40.972 1.00 0.00 H new ATOM 1756 N MET A 116 16.924 -9.680 37.742 1.00 0.00 N ATOM 1757 CA MET A 116 17.514 -10.865 38.342 1.00 0.00 C ATOM 1758 C MET A 116 16.550 -11.514 39.337 1.00 0.00 C ATOM 1759 O MET A 116 15.837 -10.818 40.059 1.00 0.00 O ATOM 1760 CB MET A 116 18.809 -10.482 39.061 1.00 0.00 C ATOM 1761 CG MET A 116 18.619 -9.213 39.895 1.00 0.00 C ATOM 1762 SD MET A 116 19.333 -9.436 41.516 1.00 0.00 S ATOM 1763 CE MET A 116 19.515 -7.730 42.010 1.00 0.00 C ATOM 0 H MET A 116 16.293 -9.162 38.353 1.00 0.00 H new ATOM 0 HA MET A 116 17.726 -11.583 37.550 1.00 0.00 H new ATOM 0 HB2 MET A 116 19.127 -11.301 39.706 1.00 0.00 H new ATOM 0 HB3 MET A 116 19.602 -10.326 38.330 1.00 0.00 H new ATOM 0 HG2 MET A 116 19.088 -8.366 39.395 1.00 0.00 H new ATOM 0 HG3 MET A 116 17.557 -8.982 39.985 1.00 0.00 H new ATOM 0 HE1 MET A 116 19.951 -7.685 43.008 1.00 0.00 H new ATOM 0 HE2 MET A 116 20.168 -7.215 41.305 1.00 0.00 H new ATOM 0 HE3 MET A 116 18.538 -7.248 42.019 1.00 0.00 H new ATOM 1773 N GLU A 117 16.560 -12.838 39.344 1.00 0.00 N ATOM 1774 CA GLU A 117 15.695 -13.589 40.239 1.00 0.00 C ATOM 1775 C GLU A 117 16.011 -15.083 40.153 1.00 0.00 C ATOM 1776 O GLU A 117 16.333 -15.593 39.081 1.00 0.00 O ATOM 1777 CB GLU A 117 14.221 -13.321 39.930 1.00 0.00 C ATOM 1778 CG GLU A 117 13.367 -13.428 41.195 1.00 0.00 C ATOM 1779 CD GLU A 117 13.396 -12.121 41.989 1.00 0.00 C ATOM 1780 OE1 GLU A 117 12.631 -11.208 41.608 1.00 0.00 O ATOM 1781 OE2 GLU A 117 14.183 -12.063 42.958 1.00 0.00 O ATOM 0 H GLU A 117 17.153 -13.411 38.744 1.00 0.00 H new ATOM 0 HA GLU A 117 15.884 -13.256 41.260 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.112 -12.327 39.496 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.866 -14.034 39.186 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.339 -13.671 40.925 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.734 -14.244 41.818 1.00 0.00 H new ATOM 1788 N ASP A 118 15.907 -15.744 41.296 1.00 0.00 N ATOM 1789 CA ASP A 118 16.177 -17.170 41.364 1.00 0.00 C ATOM 1790 C ASP A 118 15.551 -17.744 42.636 1.00 0.00 C ATOM 1791 O ASP A 118 16.081 -17.558 43.731 1.00 0.00 O ATOM 1792 CB ASP A 118 17.682 -17.444 41.412 1.00 0.00 C ATOM 1793 CG ASP A 118 18.193 -18.432 40.361 1.00 0.00 C ATOM 1794 OD1 ASP A 118 17.338 -18.977 39.631 1.00 0.00 O ATOM 1795 OD2 ASP A 118 19.428 -18.619 40.312 1.00 0.00 O ATOM 0 H ASP A 118 15.639 -15.318 42.183 1.00 0.00 H new ATOM 0 HA ASP A 118 15.754 -17.636 40.474 1.00 0.00 H new ATOM 0 HB2 ASP A 118 18.212 -16.500 41.289 1.00 0.00 H new ATOM 0 HB3 ASP A 118 17.935 -17.826 42.401 1.00 0.00 H new ATOM 1800 N GLU A 119 14.433 -18.431 42.450 1.00 0.00 N ATOM 1801 CA GLU A 119 13.730 -19.033 43.570 1.00 0.00 C ATOM 1802 C GLU A 119 12.662 -20.005 43.065 1.00 0.00 C ATOM 1803 O GLU A 119 11.886 -19.670 42.170 1.00 0.00 O ATOM 1804 CB GLU A 119 13.114 -17.961 44.471 1.00 0.00 C ATOM 1805 CG GLU A 119 14.034 -17.641 45.651 1.00 0.00 C ATOM 1806 CD GLU A 119 13.263 -17.669 46.972 1.00 0.00 C ATOM 1807 OE1 GLU A 119 12.167 -17.067 47.002 1.00 0.00 O ATOM 1808 OE2 GLU A 119 13.785 -18.292 47.921 1.00 0.00 O ATOM 0 H GLU A 119 13.997 -18.584 41.541 1.00 0.00 H new ATOM 0 HA GLU A 119 14.450 -19.593 44.167 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.931 -17.056 43.892 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.148 -18.303 44.841 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.850 -18.363 45.687 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.484 -16.658 45.510 1.00 0.00 H new ATOM 1815 N SER A 120 12.655 -21.188 43.660 1.00 0.00 N ATOM 1816 CA SER A 120 11.694 -22.211 43.281 1.00 0.00 C ATOM 1817 C SER A 120 11.907 -23.467 44.128 1.00 0.00 C ATOM 1818 O SER A 120 12.893 -24.180 43.951 1.00 0.00 O ATOM 1819 CB SER A 120 11.807 -22.548 41.793 1.00 0.00 C ATOM 1820 OG SER A 120 10.565 -22.990 41.251 1.00 0.00 O ATOM 0 H SER A 120 13.299 -21.462 44.402 1.00 0.00 H new ATOM 0 HA SER A 120 10.691 -21.824 43.463 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.149 -21.669 41.247 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.560 -23.323 41.653 1.00 0.00 H new ATOM 0 HG SER A 120 10.678 -23.194 40.299 1.00 0.00 H new ATOM 1826 N GLY A 121 10.965 -23.700 45.031 1.00 0.00 N ATOM 1827 CA GLY A 121 11.036 -24.858 45.905 1.00 0.00 C ATOM 1828 C GLY A 121 9.689 -25.118 46.582 1.00 0.00 C ATOM 1829 O GLY A 121 9.077 -24.201 47.128 1.00 0.00 O ATOM 0 H GLY A 121 10.149 -23.106 45.176 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.333 -25.735 45.329 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.803 -24.699 46.663 1.00 0.00 H new ATOM 1833 N PRO A 122 9.255 -26.406 46.523 1.00 0.00 N ATOM 1834 CA PRO A 122 7.992 -26.798 47.123 1.00 0.00 C ATOM 1835 C PRO A 122 8.108 -26.871 48.647 1.00 0.00 C ATOM 1836 O PRO A 122 9.212 -26.889 49.189 1.00 0.00 O ATOM 1837 CB PRO A 122 7.653 -28.137 46.489 1.00 0.00 C ATOM 1838 CG PRO A 122 8.956 -28.665 45.910 1.00 0.00 C ATOM 1839 CD PRO A 122 9.953 -27.518 45.885 1.00 0.00 C ATOM 0 HA PRO A 122 7.198 -26.074 46.941 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.246 -28.827 47.228 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.898 -28.021 45.711 1.00 0.00 H new ATOM 0 HG2 PRO A 122 9.336 -29.488 46.514 1.00 0.00 H new ATOM 0 HG3 PRO A 122 8.797 -29.055 44.905 1.00 0.00 H new ATOM 0 HD2 PRO A 122 10.865 -27.774 46.424 1.00 0.00 H new ATOM 0 HD3 PRO A 122 10.245 -27.269 44.865 1.00 0.00 H new ATOM 1847 N SER A 123 6.953 -26.910 49.296 1.00 0.00 N ATOM 1848 CA SER A 123 6.912 -26.980 50.747 1.00 0.00 C ATOM 1849 C SER A 123 5.773 -27.899 51.194 1.00 0.00 C ATOM 1850 O SER A 123 4.700 -27.902 50.591 1.00 0.00 O ATOM 1851 CB SER A 123 6.744 -25.589 51.361 1.00 0.00 C ATOM 1852 OG SER A 123 7.831 -25.249 52.218 1.00 0.00 O ATOM 0 H SER A 123 6.039 -26.894 48.844 1.00 0.00 H new ATOM 0 HA SER A 123 7.860 -27.390 51.097 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.664 -24.849 50.565 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.812 -25.552 51.925 1.00 0.00 H new ATOM 0 HG SER A 123 7.687 -24.353 52.589 1.00 0.00 H new ATOM 1858 N SER A 124 6.044 -28.656 52.246 1.00 0.00 N ATOM 1859 CA SER A 124 5.056 -29.577 52.781 1.00 0.00 C ATOM 1860 C SER A 124 4.720 -30.647 51.740 1.00 0.00 C ATOM 1861 O SER A 124 5.037 -30.492 50.561 1.00 0.00 O ATOM 1862 CB SER A 124 3.787 -28.836 53.209 1.00 0.00 C ATOM 1863 OG SER A 124 3.748 -28.614 54.616 1.00 0.00 O ATOM 0 H SER A 124 6.935 -28.651 52.743 1.00 0.00 H new ATOM 0 HA SER A 124 5.479 -30.058 53.663 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.733 -27.879 52.689 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.912 -29.412 52.908 1.00 0.00 H new ATOM 0 HG SER A 124 2.924 -28.137 54.849 1.00 0.00 H new ATOM 1869 N GLY A 125 4.081 -31.707 52.212 1.00 0.00 N ATOM 1870 CA GLY A 125 3.699 -32.802 51.337 1.00 0.00 C ATOM 1871 C GLY A 125 3.464 -34.086 52.135 1.00 0.00 C ATOM 1872 O GLY A 125 3.945 -34.219 53.259 1.00 0.00 O ATOM 0 H GLY A 125 3.818 -31.831 53.190 1.00 0.00 H new ATOM 0 HA2 GLY A 125 2.793 -32.537 50.792 1.00 0.00 H new ATOM 0 HA3 GLY A 125 4.480 -32.969 50.595 1.00 0.00 H new TER 1876 GLY A 125