USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 61 ASN : amide:sc= -1.77 X(o=-2.2,f=-2.5!) USER MOD Set 1.2: A 63 SER OG : rot -170:sc= -0.38 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.57) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.175 (180deg=-1.09) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.17 (180deg=-0.689) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0256 (180deg=-0.0256) USER MOD Single : A 34 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.57) USER MOD Single : A 35 THR OG1 : rot 119:sc= 0.342 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0826) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.2!) USER MOD Single : A 82 MET CE :methyl -134:sc= -0.324 (180deg=-1.27!) USER MOD Single : A 83 ASN : amide:sc= -0.23 K(o=-0.23,f=-4.5!) USER MOD Single : A 85 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.54) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= -0.704 (180deg=-1.04) USER MOD Single : A 89 THR OG1 : rot -104:sc= -0.0365 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.12) USER MOD Single : A 91 SER OG : rot 111:sc= -0.999 USER MOD Single : A 92 ASN : amide:sc= -3.65 K(o=-3.7,f=-7.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.185 F(o=-0.37,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.127 -3.634 4.296 1.00 31.13 N ATOM 19 CA ALA A 3 10.069 -4.607 4.055 1.00 11.14 C ATOM 20 C ALA A 3 9.478 -5.111 5.369 1.00 60.22 C ATOM 21 O ALA A 3 10.012 -6.031 5.987 1.00 33.10 O ATOM 22 CB ALA A 3 10.600 -5.770 3.232 1.00 65.24 C ATOM 0 HA ALA A 3 9.275 -4.113 3.495 1.00 11.14 H new ATOM 0 HB1 ALA A 3 9.799 -6.489 3.059 1.00 65.24 H new ATOM 0 HB2 ALA A 3 10.968 -5.400 2.275 1.00 65.24 H new ATOM 0 HB3 ALA A 3 11.414 -6.255 3.771 1.00 65.24 H new ATOM 28 N GLN A 4 8.373 -4.503 5.786 1.00 31.44 N ATOM 29 CA GLN A 4 7.711 -4.890 7.026 1.00 23.10 C ATOM 30 C GLN A 4 6.612 -5.915 6.760 1.00 33.20 C ATOM 31 O GLN A 4 5.802 -5.747 5.849 1.00 35.25 O ATOM 32 CB GLN A 4 7.121 -3.661 7.720 1.00 53.22 C ATOM 33 CG GLN A 4 7.653 -3.443 9.127 1.00 35.32 C ATOM 34 CD GLN A 4 6.957 -2.302 9.844 1.00 1.41 C ATOM 35 OE1 GLN A 4 7.457 -1.177 9.876 1.00 31.34 O ATOM 36 NE2 GLN A 4 5.797 -2.587 10.424 1.00 52.43 N ATOM 0 H GLN A 4 7.917 -3.741 5.284 1.00 31.44 H new ATOM 0 HA GLN A 4 8.456 -5.344 7.679 1.00 23.10 H new ATOM 0 HB2 GLN A 4 7.334 -2.777 7.119 1.00 53.22 H new ATOM 0 HB3 GLN A 4 6.037 -3.764 7.762 1.00 53.22 H new ATOM 0 HG2 GLN A 4 7.529 -4.359 9.704 1.00 35.32 H new ATOM 0 HG3 GLN A 4 8.723 -3.239 9.079 1.00 35.32 H new ATOM 0 HE21 GLN A 4 5.420 -3.533 10.372 1.00 52.43 H new ATOM 0 HE22 GLN A 4 5.283 -1.860 10.921 1.00 52.43 H new ATOM 43 N ASN A 5 6.592 -6.974 7.562 1.00 63.44 N ATOM 44 CA ASN A 5 5.592 -8.026 7.411 1.00 5.12 C ATOM 45 C ASN A 5 4.304 -7.662 8.143 1.00 24.41 C ATOM 46 O ASN A 5 4.306 -7.450 9.356 1.00 4.40 O ATOM 47 CB ASN A 5 6.137 -9.354 7.942 1.00 4.01 C ATOM 48 CG ASN A 5 6.783 -9.210 9.306 1.00 4.23 C ATOM 49 OD1 ASN A 5 6.115 -9.317 10.336 1.00 52.33 O ATOM 50 ND2 ASN A 5 8.087 -8.966 9.319 1.00 24.31 N ATOM 0 H ASN A 5 7.255 -7.127 8.322 1.00 63.44 H new ATOM 0 HA ASN A 5 5.367 -8.131 6.350 1.00 5.12 H new ATOM 0 HB2 ASN A 5 5.325 -10.079 8.002 1.00 4.01 H new ATOM 0 HB3 ASN A 5 6.867 -9.752 7.237 1.00 4.01 H new ATOM 0 HD21 ASN A 5 8.577 -8.859 10.207 1.00 24.31 H new ATOM 0 HD22 ASN A 5 8.600 -8.885 8.441 1.00 24.31 H new ATOM 56 N ILE A 6 3.207 -7.592 7.398 1.00 10.41 N ATOM 57 CA ILE A 6 1.911 -7.256 7.977 1.00 55.31 C ATOM 58 C ILE A 6 0.867 -8.313 7.637 1.00 62.00 C ATOM 59 O ILE A 6 0.601 -8.586 6.467 1.00 65.24 O ATOM 60 CB ILE A 6 1.415 -5.882 7.485 1.00 54.41 C ATOM 61 CG1 ILE A 6 2.418 -4.789 7.859 1.00 21.31 C ATOM 62 CG2 ILE A 6 0.044 -5.574 8.069 1.00 51.13 C ATOM 63 CD1 ILE A 6 2.588 -4.611 9.351 1.00 2.23 C ATOM 0 H ILE A 6 3.189 -7.763 6.393 1.00 10.41 H new ATOM 0 HA ILE A 6 2.047 -7.219 9.058 1.00 55.31 H new ATOM 0 HB ILE A 6 1.327 -5.911 6.399 1.00 54.41 H new ATOM 0 HG12 ILE A 6 3.385 -5.028 7.417 1.00 21.31 H new ATOM 0 HG13 ILE A 6 2.093 -3.844 7.423 1.00 21.31 H new ATOM 0 HG21 ILE A 6 -0.293 -4.601 7.713 1.00 51.13 H new ATOM 0 HG22 ILE A 6 -0.665 -6.340 7.756 1.00 51.13 H new ATOM 0 HG23 ILE A 6 0.107 -5.560 9.157 1.00 51.13 H new ATOM 0 HD11 ILE A 6 3.313 -3.820 9.543 1.00 2.23 H new ATOM 0 HD12 ILE A 6 1.631 -4.341 9.797 1.00 2.23 H new ATOM 0 HD13 ILE A 6 2.943 -5.543 9.791 1.00 2.23 H new ATOM 74 N THR A 7 0.274 -8.904 8.671 1.00 74.44 N ATOM 75 CA THR A 7 -0.743 -9.931 8.482 1.00 4.03 C ATOM 76 C THR A 7 -2.144 -9.329 8.507 1.00 72.41 C ATOM 77 O THR A 7 -2.434 -8.442 9.309 1.00 22.52 O ATOM 78 CB THR A 7 -0.647 -11.021 9.567 1.00 50.03 C ATOM 79 OG1 THR A 7 -0.703 -10.425 10.868 1.00 54.32 O ATOM 80 CG2 THR A 7 0.641 -11.816 9.422 1.00 54.32 C ATOM 0 H THR A 7 0.481 -8.689 9.646 1.00 74.44 H new ATOM 0 HA THR A 7 -0.561 -10.381 7.506 1.00 4.03 H new ATOM 0 HB THR A 7 -1.490 -11.700 9.444 1.00 50.03 H new ATOM 0 HG1 THR A 7 -0.643 -11.125 11.551 1.00 54.32 H new ATOM 0 HG21 THR A 7 0.687 -12.579 10.199 1.00 54.32 H new ATOM 0 HG22 THR A 7 0.666 -12.293 8.442 1.00 54.32 H new ATOM 0 HG23 THR A 7 1.495 -11.146 9.521 1.00 54.32 H new ATOM 88 N ALA A 8 -3.007 -9.817 7.624 1.00 74.41 N ATOM 89 CA ALA A 8 -4.379 -9.328 7.545 1.00 4.54 C ATOM 90 C ALA A 8 -5.330 -10.432 7.094 1.00 13.24 C ATOM 91 O ALA A 8 -4.897 -11.483 6.622 1.00 2.15 O ATOM 92 CB ALA A 8 -4.462 -8.137 6.602 1.00 41.24 C ATOM 0 H ALA A 8 -2.782 -10.551 6.952 1.00 74.41 H new ATOM 0 HA ALA A 8 -4.683 -9.008 8.542 1.00 4.54 H new ATOM 0 HB1 ALA A 8 -5.492 -7.783 6.553 1.00 41.24 H new ATOM 0 HB2 ALA A 8 -3.820 -7.336 6.970 1.00 41.24 H new ATOM 0 HB3 ALA A 8 -4.134 -8.437 5.607 1.00 41.24 H new ATOM 98 N ARG A 9 -6.627 -10.186 7.241 1.00 35.32 N ATOM 99 CA ARG A 9 -7.640 -11.159 6.850 1.00 34.42 C ATOM 100 C ARG A 9 -8.586 -10.570 5.807 1.00 73.03 C ATOM 101 O ARG A 9 -8.854 -9.368 5.806 1.00 44.11 O ATOM 102 CB ARG A 9 -8.435 -11.618 8.073 1.00 44.34 C ATOM 103 CG ARG A 9 -8.056 -13.008 8.558 1.00 25.22 C ATOM 104 CD ARG A 9 -7.276 -12.951 9.862 1.00 52.33 C ATOM 105 NE ARG A 9 -7.344 -14.210 10.597 1.00 64.02 N ATOM 106 CZ ARG A 9 -6.553 -14.506 11.622 1.00 30.21 C ATOM 107 NH1 ARG A 9 -5.639 -13.638 12.031 1.00 3.22 N ATOM 108 NH2 ARG A 9 -6.676 -15.674 12.241 1.00 54.04 N ATOM 0 H ARG A 9 -7.002 -9.320 7.629 1.00 35.32 H new ATOM 0 HA ARG A 9 -7.132 -12.018 6.411 1.00 34.42 H new ATOM 0 HB2 ARG A 9 -8.283 -10.905 8.884 1.00 44.34 H new ATOM 0 HB3 ARG A 9 -9.498 -11.604 7.832 1.00 44.34 H new ATOM 0 HG2 ARG A 9 -8.958 -13.604 8.698 1.00 25.22 H new ATOM 0 HG3 ARG A 9 -7.458 -13.509 7.797 1.00 25.22 H new ATOM 0 HD2 ARG A 9 -6.234 -12.711 9.651 1.00 52.33 H new ATOM 0 HD3 ARG A 9 -7.669 -12.147 10.484 1.00 52.33 H new ATOM 0 HE ARG A 9 -8.037 -14.900 10.308 1.00 64.02 H new ATOM 0 HH11 ARG A 9 -5.541 -12.739 11.558 1.00 3.22 H new ATOM 0 HH12 ARG A 9 -5.033 -13.868 12.819 1.00 3.22 H new ATOM 0 HH21 ARG A 9 -7.378 -16.345 11.929 1.00 54.04 H new ATOM 0 HH22 ARG A 9 -6.068 -15.901 13.028 1.00 54.04 H new ATOM 119 N ILE A 10 -9.085 -11.425 4.921 1.00 33.31 N ATOM 120 CA ILE A 10 -10.002 -10.990 3.874 1.00 74.15 C ATOM 121 C ILE A 10 -11.176 -10.212 4.457 1.00 11.22 C ATOM 122 O ILE A 10 -11.921 -10.727 5.289 1.00 23.40 O ATOM 123 CB ILE A 10 -10.541 -12.185 3.066 1.00 74.53 C ATOM 124 CG1 ILE A 10 -9.393 -12.925 2.379 1.00 2.35 C ATOM 125 CG2 ILE A 10 -11.563 -11.713 2.042 1.00 53.04 C ATOM 126 CD1 ILE A 10 -9.693 -14.383 2.104 1.00 14.51 C ATOM 0 H ILE A 10 -8.870 -12.422 4.907 1.00 33.31 H new ATOM 0 HA ILE A 10 -9.435 -10.339 3.209 1.00 74.15 H new ATOM 0 HB ILE A 10 -11.033 -12.875 3.751 1.00 74.53 H new ATOM 0 HG12 ILE A 10 -9.161 -12.426 1.438 1.00 2.35 H new ATOM 0 HG13 ILE A 10 -8.502 -12.857 3.003 1.00 2.35 H new ATOM 0 HG21 ILE A 10 -11.935 -12.569 1.478 1.00 53.04 H new ATOM 0 HG22 ILE A 10 -12.393 -11.227 2.554 1.00 53.04 H new ATOM 0 HG23 ILE A 10 -11.093 -11.005 1.359 1.00 53.04 H new ATOM 0 HD11 ILE A 10 -8.835 -14.845 1.616 1.00 14.51 H new ATOM 0 HD12 ILE A 10 -9.895 -14.896 3.044 1.00 14.51 H new ATOM 0 HD13 ILE A 10 -10.565 -14.459 1.454 1.00 14.51 H new ATOM 137 N GLY A 11 -11.334 -8.969 4.014 1.00 52.13 N ATOM 138 CA GLY A 11 -12.421 -8.140 4.503 1.00 1.11 C ATOM 139 C GLY A 11 -12.041 -7.360 5.746 1.00 74.44 C ATOM 140 O GLY A 11 -12.890 -6.719 6.365 1.00 21.05 O ATOM 0 H GLY A 11 -10.729 -8.521 3.326 1.00 52.13 H new ATOM 0 HA2 GLY A 11 -12.724 -7.445 3.720 1.00 1.11 H new ATOM 0 HA3 GLY A 11 -13.284 -8.769 4.722 1.00 1.11 H new ATOM 144 N GLU A 12 -10.764 -7.413 6.109 1.00 43.11 N ATOM 145 CA GLU A 12 -10.275 -6.707 7.288 1.00 62.31 C ATOM 146 C GLU A 12 -9.556 -5.422 6.891 1.00 20.14 C ATOM 147 O GLU A 12 -8.806 -5.376 5.918 1.00 54.30 O ATOM 148 CB GLU A 12 -9.335 -7.604 8.094 1.00 41.15 C ATOM 149 CG GLU A 12 -9.986 -8.886 8.584 1.00 12.03 C ATOM 150 CD GLU A 12 -11.379 -8.658 9.137 1.00 62.10 C ATOM 151 OE1 GLU A 12 -11.492 -8.283 10.323 1.00 2.12 O ATOM 152 OE2 GLU A 12 -12.356 -8.854 8.386 1.00 61.20 O ATOM 0 H GLU A 12 -10.049 -7.937 5.604 1.00 43.11 H new ATOM 0 HA GLU A 12 -11.133 -6.446 7.907 1.00 62.31 H new ATOM 0 HB2 GLU A 12 -8.472 -7.857 7.478 1.00 41.15 H new ATOM 0 HB3 GLU A 12 -8.961 -7.046 8.952 1.00 41.15 H new ATOM 0 HG2 GLU A 12 -10.038 -9.600 7.762 1.00 12.03 H new ATOM 0 HG3 GLU A 12 -9.361 -9.334 9.357 1.00 12.03 H new ATOM 157 N PRO A 13 -9.790 -4.351 7.665 1.00 24.51 N ATOM 158 CA PRO A 13 -9.174 -3.043 7.415 1.00 24.12 C ATOM 159 C PRO A 13 -7.677 -3.045 7.701 1.00 22.04 C ATOM 160 O PRO A 13 -7.215 -3.690 8.644 1.00 24.42 O ATOM 161 CB PRO A 13 -9.905 -2.115 8.389 1.00 70.32 C ATOM 162 CG PRO A 13 -10.370 -3.009 9.488 1.00 61.54 C ATOM 163 CD PRO A 13 -10.674 -4.334 8.842 1.00 32.44 C ATOM 0 HA PRO A 13 -9.263 -2.742 6.371 1.00 24.12 H new ATOM 0 HB2 PRO A 13 -9.243 -1.336 8.766 1.00 70.32 H new ATOM 0 HB3 PRO A 13 -10.743 -1.614 7.905 1.00 70.32 H new ATOM 0 HG2 PRO A 13 -9.603 -3.116 10.255 1.00 61.54 H new ATOM 0 HG3 PRO A 13 -11.255 -2.600 9.976 1.00 61.54 H new ATOM 0 HD2 PRO A 13 -10.464 -5.166 9.514 1.00 32.44 H new ATOM 0 HD3 PRO A 13 -11.723 -4.411 8.557 1.00 32.44 H new ATOM 168 N LEU A 14 -6.923 -2.319 6.885 1.00 34.24 N ATOM 169 CA LEU A 14 -5.476 -2.235 7.051 1.00 34.52 C ATOM 170 C LEU A 14 -4.962 -0.852 6.664 1.00 75.10 C ATOM 171 O LEU A 14 -5.443 -0.245 5.706 1.00 0.54 O ATOM 172 CB LEU A 14 -4.783 -3.304 6.203 1.00 11.42 C ATOM 173 CG LEU A 14 -3.286 -3.490 6.452 1.00 50.30 C ATOM 174 CD1 LEU A 14 -3.045 -4.096 7.826 1.00 54.54 C ATOM 175 CD2 LEU A 14 -2.669 -4.361 5.367 1.00 64.51 C ATOM 0 H LEU A 14 -7.289 -1.779 6.101 1.00 34.24 H new ATOM 0 HA LEU A 14 -5.246 -2.407 8.102 1.00 34.52 H new ATOM 0 HB2 LEU A 14 -5.281 -4.258 6.378 1.00 11.42 H new ATOM 0 HB3 LEU A 14 -4.928 -3.056 5.152 1.00 11.42 H new ATOM 0 HG LEU A 14 -2.807 -2.511 6.420 1.00 50.30 H new ATOM 0 HD11 LEU A 14 -1.974 -4.221 7.986 1.00 54.54 H new ATOM 0 HD12 LEU A 14 -3.451 -3.435 8.592 1.00 54.54 H new ATOM 0 HD13 LEU A 14 -3.537 -5.067 7.887 1.00 54.54 H new ATOM 0 HD21 LEU A 14 -1.603 -4.483 5.560 1.00 64.51 H new ATOM 0 HD22 LEU A 14 -3.152 -5.338 5.367 1.00 64.51 H new ATOM 0 HD23 LEU A 14 -2.810 -3.887 4.396 1.00 64.51 H new ATOM 186 N VAL A 15 -3.982 -0.359 7.415 1.00 54.01 N ATOM 187 CA VAL A 15 -3.401 0.952 7.149 1.00 1.23 C ATOM 188 C VAL A 15 -1.894 0.852 6.932 1.00 60.04 C ATOM 189 O VAL A 15 -1.223 0.018 7.544 1.00 74.45 O ATOM 190 CB VAL A 15 -3.677 1.934 8.302 1.00 25.02 C ATOM 191 CG1 VAL A 15 -3.193 3.330 7.943 1.00 43.40 C ATOM 192 CG2 VAL A 15 -5.160 1.947 8.645 1.00 2.44 C ATOM 0 H VAL A 15 -3.574 -0.847 8.212 1.00 54.01 H new ATOM 0 HA VAL A 15 -3.873 1.328 6.241 1.00 1.23 H new ATOM 0 HB VAL A 15 -3.126 1.600 9.181 1.00 25.02 H new ATOM 0 HG11 VAL A 15 -3.397 4.010 8.770 1.00 43.40 H new ATOM 0 HG12 VAL A 15 -2.121 3.305 7.750 1.00 43.40 H new ATOM 0 HG13 VAL A 15 -3.714 3.678 7.051 1.00 43.40 H new ATOM 0 HG21 VAL A 15 -5.338 2.646 9.462 1.00 2.44 H new ATOM 0 HG22 VAL A 15 -5.733 2.256 7.771 1.00 2.44 H new ATOM 0 HG23 VAL A 15 -5.472 0.948 8.948 1.00 2.44 H new ATOM 202 N LEU A 16 -1.369 1.705 6.060 1.00 64.32 N ATOM 203 CA LEU A 16 0.058 1.713 5.762 1.00 73.34 C ATOM 204 C LEU A 16 0.623 3.127 5.842 1.00 72.35 C ATOM 205 O LEU A 16 -0.060 4.099 5.518 1.00 42.01 O ATOM 206 CB LEU A 16 0.313 1.126 4.373 1.00 53.14 C ATOM 207 CG LEU A 16 0.020 -0.365 4.209 1.00 2.02 C ATOM 208 CD1 LEU A 16 0.403 -0.835 2.814 1.00 51.31 C ATOM 209 CD2 LEU A 16 0.755 -1.173 5.269 1.00 70.44 C ATOM 0 H LEU A 16 -1.911 2.400 5.547 1.00 64.32 H new ATOM 0 HA LEU A 16 0.563 1.098 6.507 1.00 73.34 H new ATOM 0 HB2 LEU A 16 -0.292 1.676 3.652 1.00 53.14 H new ATOM 0 HB3 LEU A 16 1.357 1.301 4.113 1.00 53.14 H new ATOM 0 HG LEU A 16 -1.051 -0.522 4.340 1.00 2.02 H new ATOM 0 HD11 LEU A 16 0.187 -1.899 2.716 1.00 51.31 H new ATOM 0 HD12 LEU A 16 -0.170 -0.279 2.072 1.00 51.31 H new ATOM 0 HD13 LEU A 16 1.467 -0.664 2.652 1.00 51.31 H new ATOM 0 HD21 LEU A 16 0.535 -2.232 5.137 1.00 70.44 H new ATOM 0 HD22 LEU A 16 1.828 -1.011 5.171 1.00 70.44 H new ATOM 0 HD23 LEU A 16 0.429 -0.855 6.259 1.00 70.44 H new ATOM 220 N LYS A 17 1.876 3.235 6.271 1.00 72.03 N ATOM 221 CA LYS A 17 2.535 4.531 6.390 1.00 71.15 C ATOM 222 C LYS A 17 3.697 4.642 5.408 1.00 33.14 C ATOM 223 O LYS A 17 4.304 3.637 5.034 1.00 74.02 O ATOM 224 CB LYS A 17 3.038 4.741 7.820 1.00 52.43 C ATOM 225 CG LYS A 17 3.475 6.167 8.107 1.00 74.31 C ATOM 226 CD LYS A 17 3.332 6.508 9.581 1.00 4.21 C ATOM 227 CE LYS A 17 1.921 6.966 9.911 1.00 34.43 C ATOM 228 NZ LYS A 17 1.059 5.838 10.359 1.00 53.04 N ATOM 0 H LYS A 17 2.456 2.441 6.542 1.00 72.03 H new ATOM 0 HA LYS A 17 1.806 5.305 6.151 1.00 71.15 H new ATOM 0 HB2 LYS A 17 2.248 4.464 8.518 1.00 52.43 H new ATOM 0 HB3 LYS A 17 3.876 4.069 8.004 1.00 52.43 H new ATOM 0 HG2 LYS A 17 4.513 6.299 7.801 1.00 74.31 H new ATOM 0 HG3 LYS A 17 2.877 6.858 7.513 1.00 74.31 H new ATOM 0 HD2 LYS A 17 3.583 5.635 10.184 1.00 4.21 H new ATOM 0 HD3 LYS A 17 4.042 7.292 9.845 1.00 4.21 H new ATOM 0 HE2 LYS A 17 1.960 7.725 10.692 1.00 34.43 H new ATOM 0 HE3 LYS A 17 1.477 7.435 9.033 1.00 34.43 H new ATOM 0 HZ1 LYS A 17 0.341 6.192 11.023 1.00 53.04 H new ATOM 0 HZ2 LYS A 17 0.588 5.412 9.535 1.00 53.04 H new ATOM 0 HZ3 LYS A 17 1.644 5.120 10.832 1.00 53.04 H new ATOM 238 N CYS A 18 4.004 5.867 4.996 1.00 24.42 N ATOM 239 CA CYS A 18 5.093 6.110 4.059 1.00 22.13 C ATOM 240 C CYS A 18 6.285 6.751 4.765 1.00 12.23 C ATOM 241 O CYS A 18 6.295 7.954 5.024 1.00 32.43 O ATOM 242 CB CYS A 18 4.620 7.010 2.915 1.00 44.23 C ATOM 243 SG CYS A 18 5.676 6.942 1.432 1.00 34.51 S ATOM 0 H CYS A 18 3.512 6.708 5.297 1.00 24.42 H new ATOM 0 HA CYS A 18 5.408 5.150 3.650 1.00 22.13 H new ATOM 0 HB2 CYS A 18 3.605 6.725 2.639 1.00 44.23 H new ATOM 0 HB3 CYS A 18 4.577 8.039 3.271 1.00 44.23 H new ATOM 247 N LYS A 19 7.289 5.937 5.074 1.00 2.44 N ATOM 248 CA LYS A 19 8.487 6.423 5.749 1.00 11.14 C ATOM 249 C LYS A 19 9.171 7.511 4.927 1.00 30.20 C ATOM 250 O LYS A 19 9.546 7.291 3.776 1.00 4.42 O ATOM 251 CB LYS A 19 9.461 5.269 5.997 1.00 53.03 C ATOM 252 CG LYS A 19 8.795 4.019 6.544 1.00 5.04 C ATOM 253 CD LYS A 19 8.032 4.308 7.826 1.00 63.14 C ATOM 254 CE LYS A 19 8.974 4.631 8.975 1.00 11.14 C ATOM 255 NZ LYS A 19 8.455 5.739 9.824 1.00 24.44 N ATOM 0 H LYS A 19 7.297 4.938 4.868 1.00 2.44 H new ATOM 0 HA LYS A 19 8.187 6.849 6.706 1.00 11.14 H new ATOM 0 HB2 LYS A 19 9.965 5.023 5.062 1.00 53.03 H new ATOM 0 HB3 LYS A 19 10.230 5.597 6.697 1.00 53.03 H new ATOM 0 HG2 LYS A 19 8.113 3.613 5.797 1.00 5.04 H new ATOM 0 HG3 LYS A 19 9.551 3.257 6.733 1.00 5.04 H new ATOM 0 HD2 LYS A 19 7.352 5.145 7.665 1.00 63.14 H new ATOM 0 HD3 LYS A 19 7.419 3.446 8.088 1.00 63.14 H new ATOM 0 HE2 LYS A 19 9.118 3.741 9.588 1.00 11.14 H new ATOM 0 HE3 LYS A 19 9.951 4.905 8.577 1.00 11.14 H new ATOM 0 HZ1 LYS A 19 9.126 5.929 10.596 1.00 24.44 H new ATOM 0 HZ2 LYS A 19 8.342 6.596 9.245 1.00 24.44 H new ATOM 0 HZ3 LYS A 19 7.534 5.467 10.225 1.00 24.44 H new ATOM 265 N GLY A 20 9.331 8.688 5.527 1.00 24.30 N ATOM 266 CA GLY A 20 9.971 9.791 4.835 1.00 1.23 C ATOM 267 C GLY A 20 9.113 11.042 4.820 1.00 4.20 C ATOM 268 O GLY A 20 9.622 12.153 4.951 1.00 42.10 O ATOM 0 H GLY A 20 9.029 8.896 6.479 1.00 24.30 H new ATOM 0 HA2 GLY A 20 10.924 10.013 5.315 1.00 1.23 H new ATOM 0 HA3 GLY A 20 10.192 9.494 3.810 1.00 1.23 H new ATOM 272 N ALA A 21 7.806 10.858 4.656 1.00 21.04 N ATOM 273 CA ALA A 21 6.876 11.979 4.625 1.00 53.22 C ATOM 274 C ALA A 21 6.342 12.291 6.018 1.00 52.00 C ATOM 275 O ALA A 21 5.868 11.411 6.738 1.00 11.11 O ATOM 276 CB ALA A 21 5.728 11.684 3.670 1.00 33.34 C ATOM 0 H ALA A 21 7.369 9.943 4.543 1.00 21.04 H new ATOM 0 HA ALA A 21 7.415 12.857 4.269 1.00 53.22 H new ATOM 0 HB1 ALA A 21 5.040 12.529 3.656 1.00 33.34 H new ATOM 0 HB2 ALA A 21 6.122 11.520 2.667 1.00 33.34 H new ATOM 0 HB3 ALA A 21 5.199 10.791 4.002 1.00 33.34 H new ATOM 282 N PRO A 22 6.421 13.570 6.412 1.00 74.24 N ATOM 283 CA PRO A 22 5.951 14.026 7.722 1.00 3.03 C ATOM 284 C PRO A 22 4.432 13.982 7.841 1.00 50.05 C ATOM 285 O PRO A 22 3.753 13.361 7.023 1.00 64.20 O ATOM 286 CB PRO A 22 6.451 15.471 7.795 1.00 30.02 C ATOM 287 CG PRO A 22 6.579 15.900 6.375 1.00 4.03 C ATOM 288 CD PRO A 22 6.975 14.670 5.606 1.00 15.44 C ATOM 0 HA PRO A 22 6.318 13.392 8.529 1.00 3.03 H new ATOM 0 HB2 PRO A 22 5.751 16.105 8.338 1.00 30.02 H new ATOM 0 HB3 PRO A 22 7.407 15.533 8.315 1.00 30.02 H new ATOM 0 HG2 PRO A 22 5.638 16.307 6.004 1.00 4.03 H new ATOM 0 HG3 PRO A 22 7.329 16.684 6.270 1.00 4.03 H new ATOM 0 HD2 PRO A 22 6.562 14.677 4.597 1.00 15.44 H new ATOM 0 HD3 PRO A 22 8.057 14.590 5.507 1.00 15.44 H new ATOM 293 N LYS A 23 3.903 14.644 8.864 1.00 21.52 N ATOM 294 CA LYS A 23 2.463 14.682 9.089 1.00 21.43 C ATOM 295 C LYS A 23 1.722 15.063 7.811 1.00 30.15 C ATOM 296 O LYS A 23 0.769 14.395 7.411 1.00 72.31 O ATOM 297 CB LYS A 23 2.126 15.676 10.203 1.00 62.51 C ATOM 298 CG LYS A 23 2.844 15.391 11.511 1.00 72.33 C ATOM 299 CD LYS A 23 2.510 14.006 12.039 1.00 60.11 C ATOM 300 CE LYS A 23 2.913 13.854 13.497 1.00 20.20 C ATOM 301 NZ LYS A 23 2.209 14.830 14.373 1.00 60.43 N ATOM 0 H LYS A 23 4.451 15.162 9.551 1.00 21.52 H new ATOM 0 HA LYS A 23 2.141 13.685 9.391 1.00 21.43 H new ATOM 0 HB2 LYS A 23 2.381 16.682 9.870 1.00 62.51 H new ATOM 0 HB3 LYS A 23 1.050 15.661 10.378 1.00 62.51 H new ATOM 0 HG2 LYS A 23 3.921 15.475 11.362 1.00 72.33 H new ATOM 0 HG3 LYS A 23 2.565 16.141 12.251 1.00 72.33 H new ATOM 0 HD2 LYS A 23 1.440 13.824 11.935 1.00 60.11 H new ATOM 0 HD3 LYS A 23 3.021 13.253 11.439 1.00 60.11 H new ATOM 0 HE2 LYS A 23 2.691 12.841 13.831 1.00 20.20 H new ATOM 0 HE3 LYS A 23 3.990 13.992 13.592 1.00 20.20 H new ATOM 0 HZ1 LYS A 23 2.191 14.470 15.349 1.00 60.43 H new ATOM 0 HZ2 LYS A 23 2.709 15.741 14.349 1.00 60.43 H new ATOM 0 HZ3 LYS A 23 1.235 14.961 14.034 1.00 60.43 H new ATOM 311 N LYS A 24 2.166 16.143 7.175 1.00 64.15 N ATOM 312 CA LYS A 24 1.548 16.612 5.941 1.00 21.21 C ATOM 313 C LYS A 24 2.452 16.341 4.742 1.00 15.12 C ATOM 314 O LYS A 24 3.674 16.259 4.862 1.00 2.22 O ATOM 315 CB LYS A 24 1.244 18.108 6.036 1.00 55.15 C ATOM 316 CG LYS A 24 2.405 18.994 5.618 1.00 44.20 C ATOM 317 CD LYS A 24 3.595 18.831 6.549 1.00 3.01 C ATOM 318 CE LYS A 24 4.397 20.118 6.660 1.00 12.42 C ATOM 319 NZ LYS A 24 5.607 19.945 7.511 1.00 72.11 N ATOM 0 H LYS A 24 2.952 16.709 7.495 1.00 64.15 H new ATOM 0 HA LYS A 24 0.615 16.066 5.801 1.00 21.21 H new ATOM 0 HB2 LYS A 24 0.381 18.335 5.410 1.00 55.15 H new ATOM 0 HB3 LYS A 24 0.965 18.349 7.062 1.00 55.15 H new ATOM 0 HG2 LYS A 24 2.703 18.748 4.599 1.00 44.20 H new ATOM 0 HG3 LYS A 24 2.085 20.036 5.614 1.00 44.20 H new ATOM 0 HD2 LYS A 24 3.246 18.532 7.538 1.00 3.01 H new ATOM 0 HD3 LYS A 24 4.238 18.031 6.182 1.00 3.01 H new ATOM 0 HE2 LYS A 24 4.697 20.446 5.665 1.00 12.42 H new ATOM 0 HE3 LYS A 24 3.768 20.903 7.079 1.00 12.42 H new ATOM 0 HZ1 LYS A 24 6.127 20.844 7.562 1.00 72.11 H new ATOM 0 HZ2 LYS A 24 5.320 19.656 8.468 1.00 72.11 H new ATOM 0 HZ3 LYS A 24 6.220 19.214 7.098 1.00 72.11 H new ATOM 366 N ARG A 28 5.928 16.469 -4.100 1.00 5.11 N ATOM 367 CA ARG A 28 5.216 15.464 -4.879 1.00 43.43 C ATOM 368 C ARG A 28 5.696 14.059 -4.523 1.00 0.43 C ATOM 369 O ARG A 28 6.896 13.821 -4.374 1.00 45.32 O ATOM 370 CB ARG A 28 5.409 15.715 -6.375 1.00 2.23 C ATOM 371 CG ARG A 28 4.496 14.880 -7.256 1.00 51.02 C ATOM 372 CD ARG A 28 4.690 15.206 -8.729 1.00 13.11 C ATOM 373 NE ARG A 28 3.992 14.261 -9.597 1.00 10.52 N ATOM 374 CZ ARG A 28 4.173 14.198 -10.911 1.00 10.04 C ATOM 375 NH1 ARG A 28 5.026 15.020 -11.506 1.00 11.24 N ATOM 376 NH2 ARG A 28 3.502 13.310 -11.632 1.00 43.15 N ATOM 0 HA ARG A 28 4.156 15.540 -4.639 1.00 43.43 H new ATOM 0 HB2 ARG A 28 5.234 16.771 -6.583 1.00 2.23 H new ATOM 0 HB3 ARG A 28 6.446 15.505 -6.639 1.00 2.23 H new ATOM 0 HG2 ARG A 28 4.695 13.822 -7.088 1.00 51.02 H new ATOM 0 HG3 ARG A 28 3.457 15.058 -6.977 1.00 51.02 H new ATOM 0 HD2 ARG A 28 4.328 16.215 -8.927 1.00 13.11 H new ATOM 0 HD3 ARG A 28 5.754 15.197 -8.965 1.00 13.11 H new ATOM 0 HE ARG A 28 3.329 13.614 -9.170 1.00 10.52 H new ATOM 0 HH11 ARG A 28 5.545 15.703 -10.954 1.00 11.24 H new ATOM 0 HH12 ARG A 28 5.163 14.969 -12.515 1.00 11.24 H new ATOM 0 HH21 ARG A 28 2.846 12.675 -11.177 1.00 43.15 H new ATOM 0 HH22 ARG A 28 3.642 13.262 -12.641 1.00 43.15 H new ATOM 387 N LEU A 29 4.753 13.133 -4.387 1.00 74.03 N ATOM 388 CA LEU A 29 5.080 11.752 -4.049 1.00 24.52 C ATOM 389 C LEU A 29 4.278 10.777 -4.905 1.00 52.44 C ATOM 390 O LEU A 29 3.202 11.111 -5.400 1.00 45.13 O ATOM 391 CB LEU A 29 4.804 11.492 -2.567 1.00 63.11 C ATOM 392 CG LEU A 29 3.650 12.282 -1.949 1.00 63.05 C ATOM 393 CD1 LEU A 29 2.364 12.040 -2.726 1.00 5.14 C ATOM 394 CD2 LEU A 29 3.470 11.907 -0.485 1.00 61.44 C ATOM 0 H LEU A 29 3.756 13.313 -4.506 1.00 74.03 H new ATOM 0 HA LEU A 29 6.140 11.595 -4.249 1.00 24.52 H new ATOM 0 HB2 LEU A 29 4.600 10.429 -2.437 1.00 63.11 H new ATOM 0 HB3 LEU A 29 5.711 11.714 -2.005 1.00 63.11 H new ATOM 0 HG LEU A 29 3.890 13.344 -2.003 1.00 63.05 H new ATOM 0 HD11 LEU A 29 1.553 12.610 -2.273 1.00 5.14 H new ATOM 0 HD12 LEU A 29 2.498 12.359 -3.760 1.00 5.14 H new ATOM 0 HD13 LEU A 29 2.119 10.978 -2.703 1.00 5.14 H new ATOM 0 HD21 LEU A 29 2.644 12.479 -0.062 1.00 61.44 H new ATOM 0 HD22 LEU A 29 3.251 10.842 -0.406 1.00 61.44 H new ATOM 0 HD23 LEU A 29 4.385 12.131 0.063 1.00 61.44 H new ATOM 405 N GLU A 30 4.811 9.571 -5.075 1.00 10.03 N ATOM 406 CA GLU A 30 4.144 8.547 -5.870 1.00 41.13 C ATOM 407 C GLU A 30 3.863 7.304 -5.033 1.00 65.04 C ATOM 408 O GLU A 30 4.614 6.978 -4.113 1.00 35.30 O ATOM 409 CB GLU A 30 4.999 8.175 -7.084 1.00 72.13 C ATOM 410 CG GLU A 30 4.330 7.181 -8.018 1.00 51.32 C ATOM 411 CD GLU A 30 5.226 6.772 -9.172 1.00 74.03 C ATOM 412 OE1 GLU A 30 6.235 6.081 -8.923 1.00 2.24 O ATOM 413 OE2 GLU A 30 4.916 7.141 -10.323 1.00 32.42 O ATOM 0 H GLU A 30 5.702 9.280 -4.673 1.00 10.03 H new ATOM 0 HA GLU A 30 3.193 8.954 -6.214 1.00 41.13 H new ATOM 0 HB2 GLU A 30 5.237 9.081 -7.641 1.00 72.13 H new ATOM 0 HB3 GLU A 30 5.944 7.756 -6.738 1.00 72.13 H new ATOM 0 HG2 GLU A 30 4.043 6.294 -7.453 1.00 51.32 H new ATOM 0 HG3 GLU A 30 3.413 7.619 -8.412 1.00 51.32 H new ATOM 418 N TRP A 31 2.775 6.614 -5.357 1.00 42.40 N ATOM 419 CA TRP A 31 2.395 5.405 -4.634 1.00 62.24 C ATOM 420 C TRP A 31 2.162 4.245 -5.596 1.00 32.13 C ATOM 421 O TRP A 31 1.674 4.437 -6.709 1.00 22.04 O ATOM 422 CB TRP A 31 1.132 5.658 -3.807 1.00 52.53 C ATOM 423 CG TRP A 31 1.026 7.065 -3.300 1.00 52.10 C ATOM 424 CD1 TRP A 31 0.664 8.169 -4.018 1.00 52.24 C ATOM 425 CD2 TRP A 31 1.287 7.517 -1.967 1.00 35.11 C ATOM 426 NE1 TRP A 31 0.683 9.281 -3.210 1.00 1.22 N ATOM 427 CE2 TRP A 31 1.061 8.908 -1.947 1.00 54.52 C ATOM 428 CE3 TRP A 31 1.687 6.883 -0.787 1.00 62.20 C ATOM 429 CZ2 TRP A 31 1.224 9.672 -0.795 1.00 53.23 C ATOM 430 CZ3 TRP A 31 1.847 7.643 0.356 1.00 74.24 C ATOM 431 CH2 TRP A 31 1.617 9.025 0.345 1.00 40.15 C ATOM 0 H TRP A 31 2.141 6.870 -6.114 1.00 42.40 H new ATOM 0 HA TRP A 31 3.214 5.139 -3.965 1.00 62.24 H new ATOM 0 HB2 TRP A 31 0.256 5.432 -4.416 1.00 52.53 H new ATOM 0 HB3 TRP A 31 1.117 4.972 -2.960 1.00 52.53 H new ATOM 0 HD1 TRP A 31 0.402 8.168 -5.066 1.00 52.24 H new ATOM 0 HE1 TRP A 31 0.453 10.230 -3.503 1.00 1.22 H new ATOM 0 HE3 TRP A 31 1.868 5.818 -0.769 1.00 62.20 H new ATOM 0 HZ2 TRP A 31 1.047 10.737 -0.801 1.00 53.23 H new ATOM 0 HZ3 TRP A 31 2.155 7.163 1.273 1.00 74.24 H new ATOM 0 HH2 TRP A 31 1.753 9.591 1.255 1.00 40.15 H new ATOM 441 N LYS A 32 2.515 3.041 -5.159 1.00 52.44 N ATOM 442 CA LYS A 32 2.346 1.848 -5.981 1.00 30.14 C ATOM 443 C LYS A 32 1.984 0.642 -5.121 1.00 53.21 C ATOM 444 O LYS A 32 2.463 0.504 -3.994 1.00 72.10 O ATOM 445 CB LYS A 32 3.626 1.560 -6.771 1.00 64.20 C ATOM 446 CG LYS A 32 3.924 2.593 -7.841 1.00 71.35 C ATOM 447 CD LYS A 32 5.376 2.530 -8.288 1.00 11.10 C ATOM 448 CE LYS A 32 5.724 1.164 -8.856 1.00 45.43 C ATOM 449 NZ LYS A 32 6.480 1.269 -10.134 1.00 2.04 N ATOM 0 H LYS A 32 2.920 2.865 -4.240 1.00 52.44 H new ATOM 0 HA LYS A 32 1.530 2.032 -6.680 1.00 30.14 H new ATOM 0 HB2 LYS A 32 4.467 1.512 -6.079 1.00 64.20 H new ATOM 0 HB3 LYS A 32 3.542 0.579 -7.238 1.00 64.20 H new ATOM 0 HG2 LYS A 32 3.271 2.429 -8.698 1.00 71.35 H new ATOM 0 HG3 LYS A 32 3.703 3.589 -7.458 1.00 71.35 H new ATOM 0 HD2 LYS A 32 5.560 3.296 -9.041 1.00 11.10 H new ATOM 0 HD3 LYS A 32 6.028 2.751 -7.443 1.00 11.10 H new ATOM 0 HE2 LYS A 32 6.316 0.609 -8.129 1.00 45.43 H new ATOM 0 HE3 LYS A 32 4.809 0.596 -9.022 1.00 45.43 H new ATOM 0 HZ1 LYS A 32 6.698 0.316 -10.488 1.00 2.04 H new ATOM 0 HZ2 LYS A 32 5.905 1.776 -10.837 1.00 2.04 H new ATOM 0 HZ3 LYS A 32 7.366 1.789 -9.971 1.00 2.04 H new ATOM 459 N LEU A 33 1.136 -0.229 -5.658 1.00 40.14 N ATOM 460 CA LEU A 33 0.711 -1.426 -4.940 1.00 54.12 C ATOM 461 C LEU A 33 0.754 -2.650 -5.849 1.00 23.52 C ATOM 462 O LEU A 33 0.305 -2.603 -6.993 1.00 73.10 O ATOM 463 CB LEU A 33 -0.702 -1.236 -4.387 1.00 43.21 C ATOM 464 CG LEU A 33 -1.575 -2.491 -4.333 1.00 73.11 C ATOM 465 CD1 LEU A 33 -2.617 -2.369 -3.233 1.00 22.43 C ATOM 466 CD2 LEU A 33 -2.244 -2.733 -5.678 1.00 53.24 C ATOM 0 H LEU A 33 0.729 -0.129 -6.588 1.00 40.14 H new ATOM 0 HA LEU A 33 1.400 -1.588 -4.111 1.00 54.12 H new ATOM 0 HB2 LEU A 33 -0.625 -0.828 -3.379 1.00 43.21 H new ATOM 0 HB3 LEU A 33 -1.212 -0.489 -4.995 1.00 43.21 H new ATOM 0 HG LEU A 33 -0.936 -3.345 -4.108 1.00 73.11 H new ATOM 0 HD11 LEU A 33 -3.229 -3.271 -3.210 1.00 22.43 H new ATOM 0 HD12 LEU A 33 -2.118 -2.244 -2.272 1.00 22.43 H new ATOM 0 HD13 LEU A 33 -3.252 -1.505 -3.428 1.00 22.43 H new ATOM 0 HD21 LEU A 33 -2.861 -3.630 -5.621 1.00 53.24 H new ATOM 0 HD22 LEU A 33 -2.870 -1.877 -5.932 1.00 53.24 H new ATOM 0 HD23 LEU A 33 -1.481 -2.865 -6.445 1.00 53.24 H new ATOM 477 N ASN A 34 1.297 -3.747 -5.330 1.00 23.54 N ATOM 478 CA ASN A 34 1.398 -4.986 -6.093 1.00 21.33 C ATOM 479 C ASN A 34 0.598 -6.101 -5.427 1.00 33.11 C ATOM 480 O ASN A 34 0.850 -6.462 -4.277 1.00 34.32 O ATOM 481 CB ASN A 34 2.861 -5.405 -6.233 1.00 11.32 C ATOM 482 CG ASN A 34 3.014 -6.757 -6.904 1.00 22.15 C ATOM 483 OD1 ASN A 34 2.919 -7.799 -6.254 1.00 1.34 O ATOM 484 ND2 ASN A 34 3.250 -6.746 -8.211 1.00 23.22 N ATOM 0 H ASN A 34 1.674 -3.803 -4.384 1.00 23.54 H new ATOM 0 HA ASN A 34 0.983 -4.808 -7.085 1.00 21.33 H new ATOM 0 HB2 ASN A 34 3.398 -4.653 -6.811 1.00 11.32 H new ATOM 0 HB3 ASN A 34 3.323 -5.438 -5.246 1.00 11.32 H new ATOM 0 HD21 ASN A 34 3.360 -7.625 -8.717 1.00 23.22 H new ATOM 0 HD22 ASN A 34 3.321 -5.859 -8.709 1.00 23.22 H new ATOM 490 N THR A 35 -0.369 -6.648 -6.160 1.00 21.14 N ATOM 491 CA THR A 35 -1.207 -7.721 -5.641 1.00 4.45 C ATOM 492 C THR A 35 -1.503 -8.757 -6.720 1.00 33.30 C ATOM 493 O THR A 35 -1.062 -8.623 -7.860 1.00 4.34 O ATOM 494 CB THR A 35 -2.537 -7.179 -5.087 1.00 32.45 C ATOM 495 OG1 THR A 35 -3.444 -6.911 -6.161 1.00 53.03 O ATOM 496 CG2 THR A 35 -2.310 -5.910 -4.280 1.00 14.23 C ATOM 0 H THR A 35 -0.590 -6.365 -7.115 1.00 21.14 H new ATOM 0 HA THR A 35 -0.651 -8.192 -4.830 1.00 4.45 H new ATOM 0 HB THR A 35 -2.966 -7.936 -4.431 1.00 32.45 H new ATOM 0 HG1 THR A 35 -4.245 -7.466 -6.059 1.00 53.03 H new ATOM 0 HG21 THR A 35 -3.264 -5.546 -3.899 1.00 14.23 H new ATOM 0 HG22 THR A 35 -1.643 -6.124 -3.445 1.00 14.23 H new ATOM 0 HG23 THR A 35 -1.860 -5.149 -4.917 1.00 14.23 H new ATOM 504 N GLY A 36 -2.255 -9.790 -6.351 1.00 20.14 N ATOM 505 CA GLY A 36 -2.597 -10.832 -7.300 1.00 62.40 C ATOM 506 C GLY A 36 -1.415 -11.714 -7.646 1.00 42.53 C ATOM 507 O GLY A 36 -0.685 -12.161 -6.761 1.00 73.40 O ATOM 0 H GLY A 36 -2.633 -9.923 -5.413 1.00 20.14 H new ATOM 0 HA2 GLY A 36 -3.396 -11.447 -6.886 1.00 62.40 H new ATOM 0 HA3 GLY A 36 -2.985 -10.376 -8.211 1.00 62.40 H new ATOM 511 N ARG A 37 -1.224 -11.965 -8.937 1.00 1.31 N ATOM 512 CA ARG A 37 -0.121 -12.801 -9.398 1.00 11.21 C ATOM 513 C ARG A 37 0.894 -11.978 -10.185 1.00 30.22 C ATOM 514 O ARG A 37 2.100 -12.208 -10.098 1.00 31.04 O ATOM 515 CB ARG A 37 -0.650 -13.946 -10.266 1.00 35.04 C ATOM 516 CG ARG A 37 -1.624 -14.859 -9.542 1.00 50.33 C ATOM 517 CD ARG A 37 -0.941 -15.624 -8.417 1.00 61.52 C ATOM 518 NE ARG A 37 0.266 -16.307 -8.875 1.00 72.20 N ATOM 519 CZ ARG A 37 0.251 -17.396 -9.635 1.00 55.43 C ATOM 520 NH1 ARG A 37 -0.903 -17.922 -10.022 1.00 21.31 N ATOM 521 NH2 ARG A 37 1.391 -17.960 -10.011 1.00 35.05 N ATOM 0 H ARG A 37 -1.818 -11.602 -9.682 1.00 1.31 H new ATOM 0 HA ARG A 37 0.377 -13.217 -8.522 1.00 11.21 H new ATOM 0 HB2 ARG A 37 -1.142 -13.528 -11.144 1.00 35.04 H new ATOM 0 HB3 ARG A 37 0.192 -14.538 -10.624 1.00 35.04 H new ATOM 0 HG2 ARG A 37 -2.445 -14.268 -9.135 1.00 50.33 H new ATOM 0 HG3 ARG A 37 -2.059 -15.564 -10.251 1.00 50.33 H new ATOM 0 HD2 ARG A 37 -0.684 -14.934 -7.613 1.00 61.52 H new ATOM 0 HD3 ARG A 37 -1.635 -16.354 -8.001 1.00 61.52 H new ATOM 0 HE ARG A 37 1.170 -15.927 -8.596 1.00 72.20 H new ATOM 0 HH11 ARG A 37 -1.782 -17.490 -9.736 1.00 21.31 H new ATOM 0 HH12 ARG A 37 -0.912 -18.758 -10.606 1.00 21.31 H new ATOM 0 HH21 ARG A 37 2.281 -17.557 -9.716 1.00 35.05 H new ATOM 0 HH22 ARG A 37 1.378 -18.796 -10.595 1.00 35.05 H new ATOM 532 N THR A 38 0.396 -11.016 -10.956 1.00 75.12 N ATOM 533 CA THR A 38 1.259 -10.158 -11.760 1.00 50.52 C ATOM 534 C THR A 38 0.443 -9.128 -12.533 1.00 14.51 C ATOM 535 O THR A 38 0.933 -8.043 -12.843 1.00 70.33 O ATOM 536 CB THR A 38 2.098 -10.982 -12.755 1.00 12.31 C ATOM 537 OG1 THR A 38 3.258 -10.239 -13.150 1.00 25.33 O ATOM 538 CG2 THR A 38 1.280 -11.344 -13.985 1.00 21.23 C ATOM 0 H THR A 38 -0.600 -10.811 -11.041 1.00 75.12 H new ATOM 0 HA THR A 38 1.927 -9.644 -11.069 1.00 50.52 H new ATOM 0 HB THR A 38 2.406 -11.903 -12.260 1.00 12.31 H new ATOM 0 HG1 THR A 38 3.787 -10.770 -13.781 1.00 25.33 H new ATOM 0 HG21 THR A 38 1.894 -11.926 -14.672 1.00 21.23 H new ATOM 0 HG22 THR A 38 0.414 -11.934 -13.685 1.00 21.23 H new ATOM 0 HG23 THR A 38 0.945 -10.433 -14.480 1.00 21.23 H new ATOM 546 N GLU A 39 -0.803 -9.474 -12.839 1.00 63.35 N ATOM 547 CA GLU A 39 -1.686 -8.578 -13.576 1.00 55.13 C ATOM 548 C GLU A 39 -2.658 -7.875 -12.632 1.00 40.02 C ATOM 549 O GLU A 39 -3.793 -7.580 -13.002 1.00 24.31 O ATOM 550 CB GLU A 39 -2.463 -9.352 -14.643 1.00 5.52 C ATOM 551 CG GLU A 39 -1.582 -9.921 -15.743 1.00 24.14 C ATOM 552 CD GLU A 39 -2.186 -11.149 -16.396 1.00 23.32 C ATOM 553 OE1 GLU A 39 -2.090 -12.245 -15.803 1.00 73.21 O ATOM 554 OE2 GLU A 39 -2.756 -11.015 -17.499 1.00 74.22 O ATOM 0 H GLU A 39 -1.224 -10.369 -12.588 1.00 63.35 H new ATOM 0 HA GLU A 39 -1.069 -7.823 -14.064 1.00 55.13 H new ATOM 0 HB2 GLU A 39 -3.006 -10.168 -14.165 1.00 5.52 H new ATOM 0 HB3 GLU A 39 -3.207 -8.692 -15.089 1.00 5.52 H new ATOM 0 HG2 GLU A 39 -1.414 -9.156 -16.501 1.00 24.14 H new ATOM 0 HG3 GLU A 39 -0.608 -10.177 -15.327 1.00 24.14 H new ATOM 559 N ALA A 40 -2.202 -7.611 -11.412 1.00 25.21 N ATOM 560 CA ALA A 40 -3.030 -6.943 -10.415 1.00 62.22 C ATOM 561 C ALA A 40 -2.326 -5.713 -9.852 1.00 12.12 C ATOM 562 O ALA A 40 -2.912 -4.947 -9.088 1.00 71.30 O ATOM 563 CB ALA A 40 -3.389 -7.908 -9.295 1.00 34.43 C ATOM 0 H ALA A 40 -1.264 -7.849 -11.090 1.00 25.21 H new ATOM 0 HA ALA A 40 -3.947 -6.613 -10.902 1.00 62.22 H new ATOM 0 HB1 ALA A 40 -4.007 -7.396 -8.558 1.00 34.43 H new ATOM 0 HB2 ALA A 40 -3.940 -8.754 -9.706 1.00 34.43 H new ATOM 0 HB3 ALA A 40 -2.477 -8.267 -8.818 1.00 34.43 H new ATOM 569 N TRP A 41 -1.067 -5.531 -10.235 1.00 54.42 N ATOM 570 CA TRP A 41 -0.284 -4.394 -9.766 1.00 51.25 C ATOM 571 C TRP A 41 -0.732 -3.106 -10.448 1.00 12.10 C ATOM 572 O TRP A 41 -0.815 -3.036 -11.674 1.00 23.11 O ATOM 573 CB TRP A 41 1.206 -4.632 -10.028 1.00 24.02 C ATOM 574 CG TRP A 41 2.026 -3.380 -9.965 1.00 0.42 C ATOM 575 CD1 TRP A 41 2.533 -2.788 -8.843 1.00 32.32 C ATOM 576 CD2 TRP A 41 2.436 -2.567 -11.069 1.00 22.41 C ATOM 577 NE1 TRP A 41 3.231 -1.655 -9.184 1.00 51.42 N ATOM 578 CE2 TRP A 41 3.188 -1.498 -10.544 1.00 13.13 C ATOM 579 CE3 TRP A 41 2.243 -2.639 -12.452 1.00 23.33 C ATOM 580 CZ2 TRP A 41 3.744 -0.511 -11.353 1.00 64.33 C ATOM 581 CZ3 TRP A 41 2.794 -1.657 -13.254 1.00 3.03 C ATOM 582 CH2 TRP A 41 3.537 -0.605 -12.702 1.00 52.34 C ATOM 0 H TRP A 41 -0.567 -6.155 -10.868 1.00 54.42 H new ATOM 0 HA TRP A 41 -0.446 -4.291 -8.693 1.00 51.25 H new ATOM 0 HB2 TRP A 41 1.587 -5.345 -9.297 1.00 24.02 H new ATOM 0 HB3 TRP A 41 1.327 -5.088 -11.011 1.00 24.02 H new ATOM 0 HD1 TRP A 41 2.404 -3.157 -7.836 1.00 32.32 H new ATOM 0 HE1 TRP A 41 3.705 -1.032 -8.530 1.00 51.42 H new ATOM 0 HE3 TRP A 41 1.674 -3.448 -12.886 1.00 23.33 H new ATOM 0 HZ2 TRP A 41 4.318 0.300 -10.931 1.00 64.33 H new ATOM 0 HZ3 TRP A 41 2.649 -1.701 -14.323 1.00 3.03 H new ATOM 0 HH2 TRP A 41 3.955 0.147 -13.355 1.00 52.34 H new ATOM 592 N LYS A 42 -1.021 -2.088 -9.645 1.00 14.20 N ATOM 593 CA LYS A 42 -1.460 -0.800 -10.170 1.00 75.24 C ATOM 594 C LYS A 42 -0.785 0.350 -9.429 1.00 12.35 C ATOM 595 O LYS A 42 -0.304 0.181 -8.307 1.00 54.10 O ATOM 596 CB LYS A 42 -2.980 -0.670 -10.056 1.00 3.12 C ATOM 597 CG LYS A 42 -3.484 -0.669 -8.622 1.00 34.21 C ATOM 598 CD LYS A 42 -4.172 -1.977 -8.271 1.00 51.14 C ATOM 599 CE LYS A 42 -4.981 -1.855 -6.988 1.00 35.22 C ATOM 600 NZ LYS A 42 -6.229 -1.071 -7.192 1.00 1.23 N ATOM 0 H LYS A 42 -0.959 -2.130 -8.628 1.00 14.20 H new ATOM 0 HA LYS A 42 -1.174 -0.749 -11.221 1.00 75.24 H new ATOM 0 HB2 LYS A 42 -3.295 0.252 -10.544 1.00 3.12 H new ATOM 0 HB3 LYS A 42 -3.448 -1.493 -10.597 1.00 3.12 H new ATOM 0 HG2 LYS A 42 -2.648 -0.503 -7.942 1.00 34.21 H new ATOM 0 HG3 LYS A 42 -4.180 0.158 -8.481 1.00 34.21 H new ATOM 0 HD2 LYS A 42 -4.828 -2.275 -9.089 1.00 51.14 H new ATOM 0 HD3 LYS A 42 -3.425 -2.763 -8.158 1.00 51.14 H new ATOM 0 HE2 LYS A 42 -5.233 -2.850 -6.622 1.00 35.22 H new ATOM 0 HE3 LYS A 42 -4.373 -1.377 -6.220 1.00 35.22 H new ATOM 0 HZ1 LYS A 42 -6.847 -1.179 -6.362 1.00 1.23 H new ATOM 0 HZ2 LYS A 42 -5.991 -0.066 -7.318 1.00 1.23 H new ATOM 0 HZ3 LYS A 42 -6.723 -1.418 -8.039 1.00 1.23 H new ATOM 610 N VAL A 43 -0.753 1.518 -10.061 1.00 11.20 N ATOM 611 CA VAL A 43 -0.137 2.696 -9.460 1.00 35.33 C ATOM 612 C VAL A 43 -1.135 3.454 -8.590 1.00 64.12 C ATOM 613 O VAL A 43 -2.186 3.886 -9.066 1.00 24.54 O ATOM 614 CB VAL A 43 0.417 3.649 -10.534 1.00 34.31 C ATOM 615 CG1 VAL A 43 1.252 4.748 -9.893 1.00 74.42 C ATOM 616 CG2 VAL A 43 1.233 2.879 -11.560 1.00 43.31 C ATOM 0 H VAL A 43 -1.146 1.675 -10.989 1.00 11.20 H new ATOM 0 HA VAL A 43 0.686 2.341 -8.840 1.00 35.33 H new ATOM 0 HB VAL A 43 -0.423 4.116 -11.048 1.00 34.31 H new ATOM 0 HG11 VAL A 43 1.635 5.412 -10.668 1.00 74.42 H new ATOM 0 HG12 VAL A 43 0.633 5.318 -9.200 1.00 74.42 H new ATOM 0 HG13 VAL A 43 2.086 4.302 -9.352 1.00 74.42 H new ATOM 0 HG21 VAL A 43 1.617 3.569 -12.312 1.00 43.31 H new ATOM 0 HG22 VAL A 43 2.067 2.383 -11.064 1.00 43.31 H new ATOM 0 HG23 VAL A 43 0.601 2.133 -12.041 1.00 43.31 H new ATOM 626 N LEU A 44 -0.801 3.610 -7.314 1.00 44.42 N ATOM 627 CA LEU A 44 -1.667 4.314 -6.377 1.00 34.44 C ATOM 628 C LEU A 44 -1.349 5.806 -6.357 1.00 53.22 C ATOM 629 O LEU A 44 -0.196 6.207 -6.528 1.00 24.22 O ATOM 630 CB LEU A 44 -1.515 3.731 -4.971 1.00 43.23 C ATOM 631 CG LEU A 44 -2.275 2.432 -4.698 1.00 74.23 C ATOM 632 CD1 LEU A 44 -1.743 1.756 -3.445 1.00 52.43 C ATOM 633 CD2 LEU A 44 -3.766 2.704 -4.568 1.00 24.14 C ATOM 0 H LEU A 44 0.064 3.258 -6.905 1.00 44.42 H new ATOM 0 HA LEU A 44 -2.698 4.184 -6.707 1.00 34.44 H new ATOM 0 HB2 LEU A 44 -0.456 3.555 -4.785 1.00 43.23 H new ATOM 0 HB3 LEU A 44 -1.845 4.480 -4.251 1.00 43.23 H new ATOM 0 HG LEU A 44 -2.121 1.759 -5.542 1.00 74.23 H new ATOM 0 HD11 LEU A 44 -2.296 0.834 -3.267 1.00 52.43 H new ATOM 0 HD12 LEU A 44 -0.686 1.526 -3.577 1.00 52.43 H new ATOM 0 HD13 LEU A 44 -1.866 2.423 -2.592 1.00 52.43 H new ATOM 0 HD21 LEU A 44 -4.291 1.769 -4.374 1.00 24.14 H new ATOM 0 HD22 LEU A 44 -3.939 3.395 -3.743 1.00 24.14 H new ATOM 0 HD23 LEU A 44 -4.138 3.143 -5.494 1.00 24.14 H new ATOM 644 N SER A 45 -2.375 6.624 -6.145 1.00 3.31 N ATOM 645 CA SER A 45 -2.204 8.071 -6.104 1.00 51.23 C ATOM 646 C SER A 45 -2.718 8.642 -4.786 1.00 21.21 C ATOM 647 O SER A 45 -3.480 8.004 -4.060 1.00 25.53 O ATOM 648 CB SER A 45 -2.936 8.726 -7.277 1.00 31.33 C ATOM 649 OG SER A 45 -2.035 9.067 -8.315 1.00 61.34 O ATOM 0 H SER A 45 -3.334 6.309 -5.999 1.00 3.31 H new ATOM 0 HA SER A 45 -1.139 8.288 -6.183 1.00 51.23 H new ATOM 0 HB2 SER A 45 -3.696 8.046 -7.660 1.00 31.33 H new ATOM 0 HB3 SER A 45 -3.454 9.621 -6.932 1.00 31.33 H new ATOM 0 HG SER A 45 -2.528 9.482 -9.053 1.00 61.34 H new ATOM 772 N ALA A 56 -9.001 0.881 -2.211 1.00 42.20 N ATOM 773 CA ALA A 56 -8.652 1.599 -0.991 1.00 51.44 C ATOM 774 C ALA A 56 -8.506 3.093 -1.256 1.00 73.31 C ATOM 775 O ALA A 56 -8.546 3.536 -2.405 1.00 32.24 O ATOM 776 CB ALA A 56 -7.368 1.038 -0.397 1.00 35.42 C ATOM 0 HA ALA A 56 -9.461 1.461 -0.274 1.00 51.44 H new ATOM 0 HB1 ALA A 56 -7.120 1.584 0.513 1.00 35.42 H new ATOM 0 HB2 ALA A 56 -7.507 -0.017 -0.161 1.00 35.42 H new ATOM 0 HB3 ALA A 56 -6.557 1.145 -1.117 1.00 35.42 H new ATOM 782 N ARG A 57 -8.338 3.865 -0.188 1.00 14.24 N ATOM 783 CA ARG A 57 -8.188 5.311 -0.306 1.00 14.43 C ATOM 784 C ARG A 57 -6.877 5.774 0.326 1.00 72.52 C ATOM 785 O ARG A 57 -6.290 5.074 1.150 1.00 61.41 O ATOM 786 CB ARG A 57 -9.367 6.024 0.359 1.00 50.44 C ATOM 787 CG ARG A 57 -10.724 5.500 -0.085 1.00 53.10 C ATOM 788 CD ARG A 57 -10.943 5.719 -1.574 1.00 21.31 C ATOM 789 NE ARG A 57 -12.306 6.156 -1.866 1.00 30.43 N ATOM 790 CZ ARG A 57 -12.790 7.342 -1.515 1.00 35.03 C ATOM 791 NH1 ARG A 57 -12.025 8.205 -0.861 1.00 74.50 N ATOM 792 NH2 ARG A 57 -14.041 7.667 -1.817 1.00 54.52 N ATOM 0 H ARG A 57 -8.302 3.514 0.769 1.00 14.24 H new ATOM 0 HA ARG A 57 -8.171 5.564 -1.366 1.00 14.43 H new ATOM 0 HB2 ARG A 57 -9.282 5.918 1.440 1.00 50.44 H new ATOM 0 HB3 ARG A 57 -9.308 7.090 0.138 1.00 50.44 H new ATOM 0 HG2 ARG A 57 -10.797 4.437 0.143 1.00 53.10 H new ATOM 0 HG3 ARG A 57 -11.511 6.001 0.478 1.00 53.10 H new ATOM 0 HD2 ARG A 57 -10.237 6.465 -1.939 1.00 21.31 H new ATOM 0 HD3 ARG A 57 -10.736 4.794 -2.111 1.00 21.31 H new ATOM 0 HE ARG A 57 -12.920 5.514 -2.367 1.00 30.43 H new ATOM 0 HH11 ARG A 57 -11.063 7.959 -0.627 1.00 74.50 H new ATOM 0 HH12 ARG A 57 -12.398 9.115 -0.592 1.00 74.50 H new ATOM 0 HH21 ARG A 57 -14.633 7.005 -2.320 1.00 54.52 H new ATOM 0 HH22 ARG A 57 -14.411 8.578 -1.546 1.00 54.52 H new ATOM 803 N VAL A 58 -6.425 6.961 -0.068 1.00 72.23 N ATOM 804 CA VAL A 58 -5.185 7.520 0.457 1.00 3.23 C ATOM 805 C VAL A 58 -5.464 8.681 1.405 1.00 71.41 C ATOM 806 O VAL A 58 -6.210 9.603 1.072 1.00 63.13 O ATOM 807 CB VAL A 58 -4.263 8.006 -0.676 1.00 13.40 C ATOM 808 CG1 VAL A 58 -3.109 8.823 -0.112 1.00 25.02 C ATOM 809 CG2 VAL A 58 -3.745 6.826 -1.484 1.00 55.22 C ATOM 0 H VAL A 58 -6.899 7.554 -0.749 1.00 72.23 H new ATOM 0 HA VAL A 58 -4.684 6.721 1.003 1.00 3.23 H new ATOM 0 HB VAL A 58 -4.841 8.648 -1.341 1.00 13.40 H new ATOM 0 HG11 VAL A 58 -2.468 9.158 -0.927 1.00 25.02 H new ATOM 0 HG12 VAL A 58 -3.502 9.689 0.420 1.00 25.02 H new ATOM 0 HG13 VAL A 58 -2.529 8.207 0.576 1.00 25.02 H new ATOM 0 HG21 VAL A 58 -3.095 7.188 -2.281 1.00 55.22 H new ATOM 0 HG22 VAL A 58 -3.183 6.158 -0.832 1.00 55.22 H new ATOM 0 HG23 VAL A 58 -4.586 6.286 -1.919 1.00 55.22 H new ATOM 819 N LEU A 59 -4.860 8.632 2.587 1.00 51.34 N ATOM 820 CA LEU A 59 -5.042 9.680 3.583 1.00 33.33 C ATOM 821 C LEU A 59 -4.380 10.981 3.134 1.00 4.31 C ATOM 822 O LEU A 59 -3.451 10.985 2.327 1.00 22.30 O ATOM 823 CB LEU A 59 -4.464 9.240 4.929 1.00 5.10 C ATOM 824 CG LEU A 59 -5.074 7.976 5.540 1.00 35.32 C ATOM 825 CD1 LEU A 59 -4.549 7.759 6.951 1.00 53.43 C ATOM 826 CD2 LEU A 59 -6.594 8.067 5.544 1.00 31.01 C ATOM 0 H LEU A 59 -4.240 7.877 2.879 1.00 51.34 H new ATOM 0 HA LEU A 59 -6.112 9.857 3.694 1.00 33.33 H new ATOM 0 HB2 LEU A 59 -3.393 9.080 4.807 1.00 5.10 H new ATOM 0 HB3 LEU A 59 -4.586 10.058 5.639 1.00 5.10 H new ATOM 0 HG LEU A 59 -4.781 7.122 4.929 1.00 35.32 H new ATOM 0 HD11 LEU A 59 -4.993 6.856 7.370 1.00 53.43 H new ATOM 0 HD12 LEU A 59 -3.465 7.651 6.923 1.00 53.43 H new ATOM 0 HD13 LEU A 59 -4.812 8.615 7.573 1.00 53.43 H new ATOM 0 HD21 LEU A 59 -7.012 7.160 5.982 1.00 31.01 H new ATOM 0 HD22 LEU A 59 -6.905 8.930 6.132 1.00 31.01 H new ATOM 0 HD23 LEU A 59 -6.955 8.176 4.521 1.00 31.01 H new ATOM 837 N PRO A 60 -4.867 12.108 3.671 1.00 12.13 N ATOM 838 CA PRO A 60 -4.336 13.435 3.343 1.00 71.44 C ATOM 839 C PRO A 60 -2.937 13.654 3.907 1.00 13.20 C ATOM 840 O PRO A 60 -2.186 14.497 3.418 1.00 1.12 O ATOM 841 CB PRO A 60 -5.334 14.390 4.003 1.00 43.32 C ATOM 842 CG PRO A 60 -5.933 13.602 5.117 1.00 32.31 C ATOM 843 CD PRO A 60 -5.973 12.177 4.641 1.00 62.34 C ATOM 0 HA PRO A 60 -4.235 13.579 2.267 1.00 71.44 H new ATOM 0 HB2 PRO A 60 -4.838 15.286 4.375 1.00 43.32 H new ATOM 0 HB3 PRO A 60 -6.096 14.717 3.295 1.00 43.32 H new ATOM 0 HG2 PRO A 60 -5.336 13.694 6.025 1.00 32.31 H new ATOM 0 HG3 PRO A 60 -6.934 13.962 5.356 1.00 32.31 H new ATOM 0 HD2 PRO A 60 -5.831 11.475 5.463 1.00 62.34 H new ATOM 0 HD3 PRO A 60 -6.929 11.935 4.177 1.00 62.34 H new ATOM 848 N ASN A 61 -2.591 12.890 4.938 1.00 22.32 N ATOM 849 CA ASN A 61 -1.282 13.001 5.569 1.00 73.42 C ATOM 850 C ASN A 61 -0.239 12.190 4.805 1.00 20.52 C ATOM 851 O ASN A 61 0.929 12.146 5.186 1.00 43.52 O ATOM 852 CB ASN A 61 -1.350 12.527 7.022 1.00 50.04 C ATOM 853 CG ASN A 61 -2.101 11.218 7.168 1.00 42.34 C ATOM 854 OD1 ASN A 61 -3.329 11.185 7.109 1.00 25.42 O ATOM 855 ND2 ASN A 61 -1.362 10.130 7.359 1.00 63.33 N ATOM 0 H ASN A 61 -3.201 12.186 5.354 1.00 22.32 H new ATOM 0 HA ASN A 61 -0.986 14.050 5.550 1.00 73.42 H new ATOM 0 HB2 ASN A 61 -0.338 12.408 7.410 1.00 50.04 H new ATOM 0 HB3 ASN A 61 -1.836 13.291 7.628 1.00 50.04 H new ATOM 0 HD21 ASN A 61 -1.811 9.220 7.463 1.00 63.33 H new ATOM 0 HD22 ASN A 61 -0.346 10.205 7.401 1.00 63.33 H new ATOM 861 N GLY A 62 -0.672 11.549 3.723 1.00 25.41 N ATOM 862 CA GLY A 62 0.234 10.748 2.923 1.00 75.14 C ATOM 863 C GLY A 62 0.264 9.297 3.356 1.00 24.32 C ATOM 864 O GLY A 62 1.284 8.622 3.225 1.00 4.32 O ATOM 0 H GLY A 62 -1.635 11.571 3.387 1.00 25.41 H new ATOM 0 HA2 GLY A 62 -0.064 10.805 1.876 1.00 75.14 H new ATOM 0 HA3 GLY A 62 1.239 11.165 2.991 1.00 75.14 H new ATOM 868 N SER A 63 -0.861 8.814 3.875 1.00 12.11 N ATOM 869 CA SER A 63 -0.960 7.433 4.335 1.00 71.31 C ATOM 870 C SER A 63 -1.933 6.640 3.468 1.00 60.03 C ATOM 871 O SER A 63 -2.531 7.177 2.535 1.00 71.33 O ATOM 872 CB SER A 63 -1.412 7.391 5.795 1.00 3.32 C ATOM 873 OG SER A 63 -0.333 7.677 6.671 1.00 73.43 O ATOM 0 H SER A 63 -1.716 9.358 3.987 1.00 12.11 H new ATOM 0 HA SER A 63 0.027 6.978 4.254 1.00 71.31 H new ATOM 0 HB2 SER A 63 -2.213 8.113 5.952 1.00 3.32 H new ATOM 0 HB3 SER A 63 -1.820 6.407 6.025 1.00 3.32 H new ATOM 0 HG SER A 63 -0.603 7.491 7.594 1.00 73.43 H new ATOM 878 N LEU A 64 -2.086 5.359 3.781 1.00 1.54 N ATOM 879 CA LEU A 64 -2.985 4.489 3.031 1.00 1.23 C ATOM 880 C LEU A 64 -3.933 3.747 3.969 1.00 74.51 C ATOM 881 O LEU A 64 -3.501 3.105 4.925 1.00 13.42 O ATOM 882 CB LEU A 64 -2.183 3.485 2.202 1.00 52.34 C ATOM 883 CG LEU A 64 -2.956 2.272 1.684 1.00 73.13 C ATOM 884 CD1 LEU A 64 -4.166 2.716 0.877 1.00 25.14 C ATOM 885 CD2 LEU A 64 -2.051 1.381 0.844 1.00 33.14 C ATOM 0 H LEU A 64 -1.599 4.899 4.550 1.00 1.54 H new ATOM 0 HA LEU A 64 -3.578 5.112 2.362 1.00 1.23 H new ATOM 0 HB2 LEU A 64 -1.755 4.010 1.348 1.00 52.34 H new ATOM 0 HB3 LEU A 64 -1.350 3.128 2.807 1.00 52.34 H new ATOM 0 HG LEU A 64 -3.306 1.696 2.540 1.00 73.13 H new ATOM 0 HD11 LEU A 64 -4.704 1.840 0.516 1.00 25.14 H new ATOM 0 HD12 LEU A 64 -4.825 3.312 1.508 1.00 25.14 H new ATOM 0 HD13 LEU A 64 -3.837 3.315 0.028 1.00 25.14 H new ATOM 0 HD21 LEU A 64 -2.618 0.523 0.484 1.00 33.14 H new ATOM 0 HD22 LEU A 64 -1.671 1.947 -0.006 1.00 33.14 H new ATOM 0 HD23 LEU A 64 -1.216 1.034 1.452 1.00 33.14 H new ATOM 896 N PHE A 65 -5.229 3.841 3.686 1.00 12.33 N ATOM 897 CA PHE A 65 -6.238 3.178 4.503 1.00 22.31 C ATOM 898 C PHE A 65 -7.142 2.299 3.645 1.00 23.10 C ATOM 899 O PHE A 65 -7.656 2.736 2.615 1.00 54.20 O ATOM 900 CB PHE A 65 -7.080 4.215 5.252 1.00 10.21 C ATOM 901 CG PHE A 65 -8.258 3.624 5.972 1.00 71.42 C ATOM 902 CD1 PHE A 65 -9.476 3.474 5.328 1.00 32.01 C ATOM 903 CD2 PHE A 65 -8.147 3.218 7.292 1.00 20.41 C ATOM 904 CE1 PHE A 65 -10.562 2.932 5.988 1.00 41.23 C ATOM 905 CE2 PHE A 65 -9.231 2.674 7.957 1.00 71.34 C ATOM 906 CZ PHE A 65 -10.439 2.530 7.304 1.00 54.02 C ATOM 0 H PHE A 65 -5.604 4.369 2.898 1.00 12.33 H new ATOM 0 HA PHE A 65 -5.724 2.544 5.226 1.00 22.31 H new ATOM 0 HB2 PHE A 65 -6.447 4.734 5.972 1.00 10.21 H new ATOM 0 HB3 PHE A 65 -7.435 4.963 4.543 1.00 10.21 H new ATOM 0 HD1 PHE A 65 -9.577 3.784 4.299 1.00 32.01 H new ATOM 0 HD2 PHE A 65 -7.204 3.327 7.807 1.00 20.41 H new ATOM 0 HE1 PHE A 65 -11.506 2.823 5.476 1.00 41.23 H new ATOM 0 HE2 PHE A 65 -9.133 2.362 8.986 1.00 71.34 H new ATOM 0 HZ PHE A 65 -11.286 2.104 7.821 1.00 54.02 H new ATOM 915 N LEU A 66 -7.330 1.057 4.076 1.00 45.12 N ATOM 916 CA LEU A 66 -8.171 0.113 3.347 1.00 2.53 C ATOM 917 C LEU A 66 -9.362 -0.324 4.195 1.00 10.12 C ATOM 918 O LEU A 66 -9.214 -0.759 5.338 1.00 33.10 O ATOM 919 CB LEU A 66 -7.354 -1.110 2.927 1.00 35.24 C ATOM 920 CG LEU A 66 -6.100 -0.826 2.099 1.00 44.41 C ATOM 921 CD1 LEU A 66 -4.853 -0.939 2.963 1.00 41.22 C ATOM 922 CD2 LEU A 66 -6.018 -1.777 0.914 1.00 31.30 C ATOM 0 H LEU A 66 -6.912 0.680 4.926 1.00 45.12 H new ATOM 0 HA LEU A 66 -8.548 0.614 2.456 1.00 2.53 H new ATOM 0 HB2 LEU A 66 -7.057 -1.650 3.826 1.00 35.24 H new ATOM 0 HB3 LEU A 66 -8.001 -1.775 2.354 1.00 35.24 H new ATOM 0 HG LEU A 66 -6.162 0.193 1.718 1.00 44.41 H new ATOM 0 HD11 LEU A 66 -3.971 -0.734 2.357 1.00 41.22 H new ATOM 0 HD12 LEU A 66 -4.909 -0.218 3.779 1.00 41.22 H new ATOM 0 HD13 LEU A 66 -4.785 -1.946 3.373 1.00 41.22 H new ATOM 0 HD21 LEU A 66 -5.120 -1.561 0.336 1.00 31.30 H new ATOM 0 HD22 LEU A 66 -5.979 -2.805 1.274 1.00 31.30 H new ATOM 0 HD23 LEU A 66 -6.896 -1.647 0.282 1.00 31.30 H new ATOM 933 N PRO A 67 -10.569 -0.208 3.624 1.00 64.22 N ATOM 934 CA PRO A 67 -11.808 -0.588 4.309 1.00 62.10 C ATOM 935 C PRO A 67 -11.930 -2.097 4.491 1.00 30.44 C ATOM 936 O PRO A 67 -12.492 -2.569 5.479 1.00 51.23 O ATOM 937 CB PRO A 67 -12.905 -0.071 3.374 1.00 10.51 C ATOM 938 CG PRO A 67 -12.266 -0.032 2.029 1.00 74.01 C ATOM 939 CD PRO A 67 -10.819 0.303 2.267 1.00 63.14 C ATOM 0 HA PRO A 67 -11.859 -0.175 5.316 1.00 62.10 H new ATOM 0 HB2 PRO A 67 -13.774 -0.729 3.381 1.00 10.51 H new ATOM 0 HB3 PRO A 67 -13.251 0.917 3.677 1.00 10.51 H new ATOM 0 HG2 PRO A 67 -12.366 -0.991 1.522 1.00 74.01 H new ATOM 0 HG3 PRO A 67 -12.740 0.716 1.393 1.00 74.01 H new ATOM 0 HD2 PRO A 67 -10.170 -0.174 1.532 1.00 63.14 H new ATOM 0 HD3 PRO A 67 -10.639 1.376 2.202 1.00 63.14 H new ATOM 944 N ALA A 68 -11.402 -2.849 3.531 1.00 51.31 N ATOM 945 CA ALA A 68 -11.450 -4.304 3.587 1.00 41.33 C ATOM 946 C ALA A 68 -10.527 -4.925 2.543 1.00 20.23 C ATOM 947 O ALA A 68 -10.865 -4.987 1.360 1.00 43.42 O ATOM 948 CB ALA A 68 -12.876 -4.793 3.390 1.00 20.52 C ATOM 0 H ALA A 68 -10.936 -2.474 2.705 1.00 51.31 H new ATOM 0 HA ALA A 68 -11.103 -4.616 4.572 1.00 41.33 H new ATOM 0 HB1 ALA A 68 -12.897 -5.882 3.434 1.00 20.52 H new ATOM 0 HB2 ALA A 68 -13.512 -4.386 4.176 1.00 20.52 H new ATOM 0 HB3 ALA A 68 -13.243 -4.462 2.418 1.00 20.52 H new ATOM 954 N VAL A 69 -9.360 -5.380 2.987 1.00 60.50 N ATOM 955 CA VAL A 69 -8.389 -5.996 2.090 1.00 53.41 C ATOM 956 C VAL A 69 -8.842 -7.387 1.661 1.00 51.44 C ATOM 957 O VAL A 69 -8.916 -8.306 2.475 1.00 22.42 O ATOM 958 CB VAL A 69 -7.002 -6.102 2.754 1.00 74.45 C ATOM 959 CG1 VAL A 69 -6.374 -4.724 2.901 1.00 24.14 C ATOM 960 CG2 VAL A 69 -7.108 -6.796 4.102 1.00 3.22 C ATOM 0 H VAL A 69 -9.064 -5.334 3.962 1.00 60.50 H new ATOM 0 HA VAL A 69 -8.317 -5.354 1.212 1.00 53.41 H new ATOM 0 HB VAL A 69 -6.356 -6.702 2.113 1.00 74.45 H new ATOM 0 HG11 VAL A 69 -5.395 -4.818 3.372 1.00 24.14 H new ATOM 0 HG12 VAL A 69 -6.261 -4.269 1.917 1.00 24.14 H new ATOM 0 HG13 VAL A 69 -7.015 -4.096 3.520 1.00 24.14 H new ATOM 0 HG21 VAL A 69 -6.119 -6.862 4.556 1.00 3.22 H new ATOM 0 HG22 VAL A 69 -7.769 -6.225 4.754 1.00 3.22 H new ATOM 0 HG23 VAL A 69 -7.511 -7.799 3.964 1.00 3.22 H new ATOM 970 N GLY A 70 -9.145 -7.533 0.374 1.00 41.00 N ATOM 971 CA GLY A 70 -9.587 -8.815 -0.142 1.00 75.13 C ATOM 972 C GLY A 70 -8.429 -9.716 -0.528 1.00 51.03 C ATOM 973 O GLY A 70 -7.298 -9.252 -0.680 1.00 5.12 O ATOM 0 H GLY A 70 -9.092 -6.787 -0.319 1.00 41.00 H new ATOM 0 HA2 GLY A 70 -10.197 -9.315 0.610 1.00 75.13 H new ATOM 0 HA3 GLY A 70 -10.223 -8.653 -1.012 1.00 75.13 H new ATOM 977 N ILE A 71 -8.712 -11.004 -0.687 1.00 12.22 N ATOM 978 CA ILE A 71 -7.685 -11.971 -1.057 1.00 73.15 C ATOM 979 C ILE A 71 -6.964 -11.545 -2.331 1.00 62.30 C ATOM 980 O ILE A 71 -5.788 -11.853 -2.522 1.00 54.13 O ATOM 981 CB ILE A 71 -8.281 -13.376 -1.262 1.00 32.32 C ATOM 982 CG1 ILE A 71 -7.287 -14.446 -0.813 1.00 50.45 C ATOM 983 CG2 ILE A 71 -8.667 -13.579 -2.720 1.00 51.44 C ATOM 984 CD1 ILE A 71 -7.280 -15.674 -1.697 1.00 21.01 C ATOM 0 H ILE A 71 -9.643 -11.403 -0.566 1.00 12.22 H new ATOM 0 HA ILE A 71 -6.972 -12.006 -0.233 1.00 73.15 H new ATOM 0 HB ILE A 71 -9.180 -13.466 -0.653 1.00 32.32 H new ATOM 0 HG12 ILE A 71 -6.286 -14.016 -0.795 1.00 50.45 H new ATOM 0 HG13 ILE A 71 -7.524 -14.745 0.208 1.00 50.45 H new ATOM 0 HG21 ILE A 71 -9.087 -14.577 -2.850 1.00 51.44 H new ATOM 0 HG22 ILE A 71 -9.408 -12.833 -3.007 1.00 51.44 H new ATOM 0 HG23 ILE A 71 -7.783 -13.473 -3.349 1.00 51.44 H new ATOM 0 HD11 ILE A 71 -6.551 -16.391 -1.318 1.00 21.01 H new ATOM 0 HD12 ILE A 71 -8.271 -16.129 -1.696 1.00 21.01 H new ATOM 0 HD13 ILE A 71 -7.013 -15.388 -2.715 1.00 21.01 H new ATOM 995 N GLN A 72 -7.677 -10.836 -3.199 1.00 73.23 N ATOM 996 CA GLN A 72 -7.105 -10.367 -4.456 1.00 41.31 C ATOM 997 C GLN A 72 -6.168 -9.185 -4.221 1.00 44.54 C ATOM 998 O GLN A 72 -5.273 -8.921 -5.023 1.00 52.32 O ATOM 999 CB GLN A 72 -8.214 -9.966 -5.429 1.00 32.20 C ATOM 1000 CG GLN A 72 -8.703 -11.111 -6.301 1.00 31.20 C ATOM 1001 CD GLN A 72 -10.071 -10.847 -6.899 1.00 41.15 C ATOM 1002 OE1 GLN A 72 -10.188 -10.238 -7.964 1.00 2.51 O ATOM 1003 NE2 GLN A 72 -11.114 -11.306 -6.218 1.00 13.32 N ATOM 0 H GLN A 72 -8.652 -10.573 -3.055 1.00 73.23 H new ATOM 0 HA GLN A 72 -6.529 -11.184 -4.890 1.00 41.31 H new ATOM 0 HB2 GLN A 72 -9.056 -9.567 -4.863 1.00 32.20 H new ATOM 0 HB3 GLN A 72 -7.851 -9.162 -6.069 1.00 32.20 H new ATOM 0 HG2 GLN A 72 -7.987 -11.282 -7.104 1.00 31.20 H new ATOM 0 HG3 GLN A 72 -8.740 -12.024 -5.707 1.00 31.20 H new ATOM 0 HE21 GLN A 72 -10.970 -11.805 -5.340 1.00 13.32 H new ATOM 0 HE22 GLN A 72 -12.059 -11.160 -6.573 1.00 13.32 H new ATOM 1010 N ASP A 73 -6.379 -8.481 -3.115 1.00 63.10 N ATOM 1011 CA ASP A 73 -5.553 -7.329 -2.774 1.00 14.22 C ATOM 1012 C ASP A 73 -4.249 -7.770 -2.115 1.00 65.33 C ATOM 1013 O ASP A 73 -3.375 -6.951 -1.839 1.00 20.15 O ATOM 1014 CB ASP A 73 -6.316 -6.387 -1.841 1.00 74.21 C ATOM 1015 CG ASP A 73 -6.926 -5.209 -2.579 1.00 51.43 C ATOM 1016 OD1 ASP A 73 -7.575 -5.436 -3.620 1.00 31.30 O ATOM 1017 OD2 ASP A 73 -6.751 -4.063 -2.116 1.00 4.34 O ATOM 0 H ASP A 73 -7.115 -8.688 -2.439 1.00 63.10 H new ATOM 0 HA ASP A 73 -5.312 -6.800 -3.696 1.00 14.22 H new ATOM 0 HB2 ASP A 73 -7.105 -6.943 -1.334 1.00 74.21 H new ATOM 0 HB3 ASP A 73 -5.640 -6.018 -1.070 1.00 74.21 H new ATOM 1021 N GLU A 74 -4.129 -9.071 -1.867 1.00 23.42 N ATOM 1022 CA GLU A 74 -2.934 -9.622 -1.239 1.00 34.44 C ATOM 1023 C GLU A 74 -1.706 -9.398 -2.120 1.00 11.43 C ATOM 1024 O GLU A 74 -1.778 -9.504 -3.342 1.00 72.50 O ATOM 1025 CB GLU A 74 -3.115 -11.116 -0.966 1.00 73.42 C ATOM 1026 CG GLU A 74 -2.921 -11.986 -2.196 1.00 22.02 C ATOM 1027 CD GLU A 74 -3.101 -13.463 -1.900 1.00 31.44 C ATOM 1028 OE1 GLU A 74 -2.140 -14.091 -1.410 1.00 32.34 O ATOM 1029 OE2 GLU A 74 -4.204 -13.990 -2.158 1.00 73.14 O ATOM 0 H GLU A 74 -4.845 -9.762 -2.091 1.00 23.42 H new ATOM 0 HA GLU A 74 -2.781 -9.105 -0.292 1.00 34.44 H new ATOM 0 HB2 GLU A 74 -2.407 -11.425 -0.197 1.00 73.42 H new ATOM 0 HB3 GLU A 74 -4.114 -11.285 -0.565 1.00 73.42 H new ATOM 0 HG2 GLU A 74 -3.631 -11.684 -2.966 1.00 22.02 H new ATOM 0 HG3 GLU A 74 -1.923 -11.819 -2.601 1.00 22.02 H new ATOM 1034 N GLY A 75 -0.579 -9.089 -1.485 1.00 32.52 N ATOM 1035 CA GLY A 75 0.648 -8.856 -2.224 1.00 14.01 C ATOM 1036 C GLY A 75 1.644 -8.019 -1.445 1.00 5.41 C ATOM 1037 O GLY A 75 1.817 -8.211 -0.242 1.00 2.23 O ATOM 0 H GLY A 75 -0.494 -8.996 -0.473 1.00 32.52 H new ATOM 0 HA2 GLY A 75 1.103 -9.813 -2.478 1.00 14.01 H new ATOM 0 HA3 GLY A 75 0.413 -8.355 -3.163 1.00 14.01 H new ATOM 1041 N ILE A 76 2.301 -7.092 -2.132 1.00 74.44 N ATOM 1042 CA ILE A 76 3.286 -6.225 -1.497 1.00 32.31 C ATOM 1043 C ILE A 76 3.027 -4.761 -1.833 1.00 21.42 C ATOM 1044 O ILE A 76 2.761 -4.414 -2.984 1.00 42.21 O ATOM 1045 CB ILE A 76 4.719 -6.593 -1.924 1.00 44.22 C ATOM 1046 CG1 ILE A 76 5.137 -7.923 -1.291 1.00 75.33 C ATOM 1047 CG2 ILE A 76 5.688 -5.487 -1.532 1.00 44.11 C ATOM 1048 CD1 ILE A 76 4.524 -9.131 -1.966 1.00 75.42 C ATOM 0 H ILE A 76 2.169 -6.921 -3.129 1.00 74.44 H new ATOM 0 HA ILE A 76 3.188 -6.371 -0.421 1.00 32.31 H new ATOM 0 HB ILE A 76 4.743 -6.704 -3.008 1.00 44.22 H new ATOM 0 HG12 ILE A 76 6.223 -8.008 -1.327 1.00 75.33 H new ATOM 0 HG13 ILE A 76 4.852 -7.921 -0.239 1.00 75.33 H new ATOM 0 HG21 ILE A 76 6.697 -5.761 -1.840 1.00 44.11 H new ATOM 0 HG22 ILE A 76 5.398 -4.558 -2.023 1.00 44.11 H new ATOM 0 HG23 ILE A 76 5.664 -5.348 -0.451 1.00 44.11 H new ATOM 0 HD11 ILE A 76 4.863 -10.038 -1.466 1.00 75.42 H new ATOM 0 HD12 ILE A 76 3.437 -9.069 -1.907 1.00 75.42 H new ATOM 0 HD13 ILE A 76 4.829 -9.157 -3.012 1.00 75.42 H new ATOM 1059 N PHE A 77 3.108 -3.903 -0.820 1.00 42.35 N ATOM 1060 CA PHE A 77 2.884 -2.476 -1.009 1.00 74.02 C ATOM 1061 C PHE A 77 4.207 -1.716 -1.036 1.00 33.34 C ATOM 1062 O PHE A 77 5.086 -1.950 -0.206 1.00 33.33 O ATOM 1063 CB PHE A 77 1.991 -1.926 0.105 1.00 20.25 C ATOM 1064 CG PHE A 77 0.578 -2.433 0.046 1.00 13.14 C ATOM 1065 CD1 PHE A 77 0.306 -3.783 0.206 1.00 71.41 C ATOM 1066 CD2 PHE A 77 -0.477 -1.560 -0.169 1.00 40.44 C ATOM 1067 CE1 PHE A 77 -0.994 -4.252 0.152 1.00 14.53 C ATOM 1068 CE2 PHE A 77 -1.777 -2.026 -0.224 1.00 72.20 C ATOM 1069 CZ PHE A 77 -2.036 -3.372 -0.064 1.00 23.42 C ATOM 0 H PHE A 77 3.327 -4.172 0.139 1.00 42.35 H new ATOM 0 HA PHE A 77 2.385 -2.337 -1.968 1.00 74.02 H new ATOM 0 HB2 PHE A 77 2.423 -2.190 1.070 1.00 20.25 H new ATOM 0 HB3 PHE A 77 1.981 -0.838 0.048 1.00 20.25 H new ATOM 0 HD1 PHE A 77 1.117 -4.475 0.375 1.00 71.41 H new ATOM 0 HD2 PHE A 77 -0.281 -0.505 -0.295 1.00 40.44 H new ATOM 0 HE1 PHE A 77 -1.194 -5.306 0.279 1.00 14.53 H new ATOM 0 HE2 PHE A 77 -2.591 -1.336 -0.392 1.00 72.20 H new ATOM 0 HZ PHE A 77 -3.052 -3.736 -0.108 1.00 23.42 H new ATOM 1078 N ARG A 78 4.342 -0.807 -1.996 1.00 61.32 N ATOM 1079 CA ARG A 78 5.557 -0.014 -2.133 1.00 1.50 C ATOM 1080 C ARG A 78 5.231 1.475 -2.199 1.00 72.25 C ATOM 1081 O ARG A 78 4.406 1.905 -3.005 1.00 31.51 O ATOM 1082 CB ARG A 78 6.328 -0.434 -3.386 1.00 3.12 C ATOM 1083 CG ARG A 78 7.639 -1.141 -3.086 1.00 25.30 C ATOM 1084 CD ARG A 78 8.631 -0.211 -2.406 1.00 35.32 C ATOM 1085 NE ARG A 78 9.752 -0.941 -1.819 1.00 11.03 N ATOM 1086 CZ ARG A 78 10.709 -0.363 -1.100 1.00 73.53 C ATOM 1087 NH1 ARG A 78 10.681 0.944 -0.882 1.00 62.00 N ATOM 1088 NH2 ARG A 78 11.696 -1.094 -0.600 1.00 31.43 N ATOM 0 H ARG A 78 3.624 -0.602 -2.691 1.00 61.32 H new ATOM 0 HA ARG A 78 6.178 -0.194 -1.255 1.00 1.50 H new ATOM 0 HB2 ARG A 78 5.699 -1.092 -3.986 1.00 3.12 H new ATOM 0 HB3 ARG A 78 6.532 0.450 -3.990 1.00 3.12 H new ATOM 0 HG2 ARG A 78 7.450 -2.004 -2.447 1.00 25.30 H new ATOM 0 HG3 ARG A 78 8.070 -1.519 -4.013 1.00 25.30 H new ATOM 0 HD2 ARG A 78 9.008 0.510 -3.131 1.00 35.32 H new ATOM 0 HD3 ARG A 78 8.121 0.357 -1.628 1.00 35.32 H new ATOM 0 HE ARG A 78 9.803 -1.949 -1.969 1.00 11.03 H new ATOM 0 HH11 ARG A 78 9.924 1.509 -1.266 1.00 62.00 H new ATOM 0 HH12 ARG A 78 11.417 1.385 -0.330 1.00 62.00 H new ATOM 0 HH21 ARG A 78 11.721 -2.100 -0.767 1.00 31.43 H new ATOM 0 HH22 ARG A 78 12.430 -0.650 -0.048 1.00 31.43 H new ATOM 1099 N CYS A 79 5.883 2.258 -1.347 1.00 11.41 N ATOM 1100 CA CYS A 79 5.663 3.698 -1.307 1.00 44.45 C ATOM 1101 C CYS A 79 6.964 4.455 -1.562 1.00 51.11 C ATOM 1102 O CYS A 79 8.048 3.977 -1.227 1.00 21.30 O ATOM 1103 CB CYS A 79 5.080 4.109 0.046 1.00 25.21 C ATOM 1104 SG CYS A 79 4.718 5.888 0.191 1.00 52.03 S ATOM 0 H CYS A 79 6.570 1.918 -0.673 1.00 11.41 H new ATOM 0 HA CYS A 79 4.954 3.953 -2.094 1.00 44.45 H new ATOM 0 HB2 CYS A 79 4.162 3.547 0.220 1.00 25.21 H new ATOM 0 HB3 CYS A 79 5.780 3.827 0.832 1.00 25.21 H new ATOM 1108 N GLN A 80 6.846 5.637 -2.159 1.00 52.42 N ATOM 1109 CA GLN A 80 8.013 6.459 -2.460 1.00 13.22 C ATOM 1110 C GLN A 80 7.698 7.939 -2.273 1.00 62.21 C ATOM 1111 O GLN A 80 6.675 8.430 -2.749 1.00 32.13 O ATOM 1112 CB GLN A 80 8.488 6.203 -3.892 1.00 1.21 C ATOM 1113 CG GLN A 80 9.508 7.217 -4.384 1.00 20.20 C ATOM 1114 CD GLN A 80 8.861 8.451 -4.982 1.00 45.24 C ATOM 1115 OE1 GLN A 80 8.882 9.527 -4.385 1.00 52.43 O ATOM 1116 NE2 GLN A 80 8.282 8.300 -6.167 1.00 52.14 N ATOM 0 H GLN A 80 5.956 6.046 -2.443 1.00 52.42 H new ATOM 0 HA GLN A 80 8.808 6.185 -1.767 1.00 13.22 H new ATOM 0 HB2 GLN A 80 8.923 5.205 -3.949 1.00 1.21 H new ATOM 0 HB3 GLN A 80 7.626 6.214 -4.559 1.00 1.21 H new ATOM 0 HG2 GLN A 80 10.150 7.514 -3.554 1.00 20.20 H new ATOM 0 HG3 GLN A 80 10.149 6.749 -5.131 1.00 20.20 H new ATOM 0 HE21 GLN A 80 8.289 7.389 -6.626 1.00 52.14 H new ATOM 0 HE22 GLN A 80 7.830 9.095 -6.619 1.00 52.14 H new ATOM 1123 N ALA A 81 8.584 8.645 -1.577 1.00 42.43 N ATOM 1124 CA ALA A 81 8.401 10.068 -1.329 1.00 14.02 C ATOM 1125 C ALA A 81 9.672 10.849 -1.650 1.00 13.34 C ATOM 1126 O ALA A 81 10.756 10.277 -1.745 1.00 43.33 O ATOM 1127 CB ALA A 81 7.987 10.304 0.116 1.00 62.14 C ATOM 0 H ALA A 81 9.436 8.253 -1.175 1.00 42.43 H new ATOM 0 HA ALA A 81 7.608 10.426 -1.986 1.00 14.02 H new ATOM 0 HB1 ALA A 81 7.854 11.372 0.287 1.00 62.14 H new ATOM 0 HB2 ALA A 81 7.049 9.785 0.315 1.00 62.14 H new ATOM 0 HB3 ALA A 81 8.761 9.924 0.783 1.00 62.14 H new ATOM 1133 N MET A 82 9.528 12.161 -1.816 1.00 4.15 N ATOM 1134 CA MET A 82 10.666 13.019 -2.126 1.00 34.11 C ATOM 1135 C MET A 82 10.705 14.227 -1.195 1.00 45.01 C ATOM 1136 O MET A 82 9.725 14.963 -1.078 1.00 13.51 O ATOM 1137 CB MET A 82 10.599 13.485 -3.582 1.00 62.02 C ATOM 1138 CG MET A 82 11.616 14.560 -3.923 1.00 73.55 C ATOM 1139 SD MET A 82 12.023 14.599 -5.680 1.00 32.12 S ATOM 1140 CE MET A 82 12.743 12.973 -5.897 1.00 24.44 C ATOM 0 H MET A 82 8.637 12.651 -1.741 1.00 4.15 H new ATOM 0 HA MET A 82 11.577 12.439 -1.979 1.00 34.11 H new ATOM 0 HB2 MET A 82 10.755 12.628 -4.237 1.00 62.02 H new ATOM 0 HB3 MET A 82 9.598 13.865 -3.788 1.00 62.02 H new ATOM 0 HG2 MET A 82 11.226 15.532 -3.623 1.00 73.55 H new ATOM 0 HG3 MET A 82 12.526 14.390 -3.347 1.00 73.55 H new ATOM 0 HE1 MET A 82 13.665 13.057 -6.472 1.00 24.44 H new ATOM 0 HE2 MET A 82 12.962 12.539 -4.921 1.00 24.44 H new ATOM 0 HE3 MET A 82 12.041 12.332 -6.430 1.00 24.44 H new ATOM 1148 N ASN A 83 11.841 14.424 -0.536 1.00 61.12 N ATOM 1149 CA ASN A 83 12.007 15.542 0.386 1.00 74.53 C ATOM 1150 C ASN A 83 12.465 16.795 -0.356 1.00 23.12 C ATOM 1151 O ASN A 83 12.805 16.739 -1.538 1.00 43.40 O ATOM 1152 CB ASN A 83 13.015 15.185 1.478 1.00 35.13 C ATOM 1153 CG ASN A 83 12.384 14.401 2.613 1.00 54.31 C ATOM 1154 OD1 ASN A 83 12.084 14.953 3.671 1.00 4.35 O ATOM 1155 ND2 ASN A 83 12.183 13.107 2.396 1.00 21.34 N ATOM 0 H ASN A 83 12.661 13.824 -0.623 1.00 61.12 H new ATOM 0 HA ASN A 83 11.041 15.747 0.847 1.00 74.53 H new ATOM 0 HB2 ASN A 83 13.826 14.601 1.043 1.00 35.13 H new ATOM 0 HB3 ASN A 83 13.457 16.099 1.873 1.00 35.13 H new ATOM 0 HD21 ASN A 83 11.764 12.527 3.123 1.00 21.34 H new ATOM 0 HD22 ASN A 83 12.448 12.693 1.502 1.00 21.34 H new ATOM 1161 N ARG A 84 12.471 17.923 0.346 1.00 1.44 N ATOM 1162 CA ARG A 84 12.888 19.189 -0.245 1.00 0.14 C ATOM 1163 C ARG A 84 14.396 19.212 -0.475 1.00 42.34 C ATOM 1164 O ARG A 84 14.903 20.026 -1.246 1.00 14.34 O ATOM 1165 CB ARG A 84 12.482 20.356 0.656 1.00 4.51 C ATOM 1166 CG ARG A 84 13.447 20.604 1.804 1.00 41.35 C ATOM 1167 CD ARG A 84 13.443 19.452 2.796 1.00 20.02 C ATOM 1168 NE ARG A 84 12.105 19.187 3.320 1.00 3.32 N ATOM 1169 CZ ARG A 84 11.840 18.237 4.210 1.00 22.23 C ATOM 1170 NH1 ARG A 84 12.814 17.466 4.674 1.00 72.22 N ATOM 1171 NH2 ARG A 84 10.597 18.059 4.640 1.00 41.23 N ATOM 0 H ARG A 84 12.192 17.986 1.325 1.00 1.44 H new ATOM 0 HA ARG A 84 12.389 19.292 -1.209 1.00 0.14 H new ATOM 0 HB2 ARG A 84 12.408 21.261 0.053 1.00 4.51 H new ATOM 0 HB3 ARG A 84 11.489 20.162 1.062 1.00 4.51 H new ATOM 0 HG2 ARG A 84 14.454 20.743 1.410 1.00 41.35 H new ATOM 0 HG3 ARG A 84 13.175 21.527 2.316 1.00 41.35 H new ATOM 0 HD2 ARG A 84 13.827 18.554 2.311 1.00 20.02 H new ATOM 0 HD3 ARG A 84 14.117 19.682 3.621 1.00 20.02 H new ATOM 0 HE ARG A 84 11.333 19.763 2.984 1.00 3.32 H new ATOM 0 HH11 ARG A 84 13.771 17.601 4.348 1.00 72.22 H new ATOM 0 HH12 ARG A 84 12.606 16.738 5.357 1.00 72.22 H new ATOM 0 HH21 ARG A 84 9.845 18.652 4.287 1.00 41.23 H new ATOM 0 HH22 ARG A 84 10.393 17.330 5.323 1.00 41.23 H new ATOM 1182 N ASN A 85 15.106 18.312 0.197 1.00 34.13 N ATOM 1183 CA ASN A 85 16.557 18.230 0.067 1.00 64.42 C ATOM 1184 C ASN A 85 16.948 17.627 -1.278 1.00 61.34 C ATOM 1185 O ASN A 85 18.036 17.882 -1.793 1.00 14.55 O ATOM 1186 CB ASN A 85 17.145 17.392 1.204 1.00 64.42 C ATOM 1187 CG ASN A 85 16.855 17.985 2.570 1.00 61.11 C ATOM 1188 OD1 ASN A 85 15.971 17.517 3.286 1.00 71.22 O ATOM 1189 ND2 ASN A 85 17.602 19.020 2.935 1.00 61.52 N ATOM 0 H ASN A 85 14.701 17.629 0.837 1.00 34.13 H new ATOM 0 HA ASN A 85 16.960 19.241 0.124 1.00 64.42 H new ATOM 0 HB2 ASN A 85 16.738 16.382 1.156 1.00 64.42 H new ATOM 0 HB3 ASN A 85 18.223 17.308 1.069 1.00 64.42 H new ATOM 0 HD21 ASN A 85 17.454 19.461 3.843 1.00 61.52 H new ATOM 0 HD22 ASN A 85 18.324 19.374 2.308 1.00 61.52 H new ATOM 1195 N GLY A 86 16.051 16.826 -1.847 1.00 24.04 N ATOM 1196 CA GLY A 86 16.320 16.200 -3.128 1.00 1.42 C ATOM 1197 C GLY A 86 16.411 14.690 -3.028 1.00 1.42 C ATOM 1198 O GLY A 86 16.397 13.991 -4.041 1.00 1.51 O ATOM 0 H GLY A 86 15.142 16.600 -1.443 1.00 24.04 H new ATOM 0 HA2 GLY A 86 15.532 16.468 -3.832 1.00 1.42 H new ATOM 0 HA3 GLY A 86 17.254 16.591 -3.531 1.00 1.42 H new ATOM 1202 N LYS A 87 16.506 14.184 -1.802 1.00 72.22 N ATOM 1203 CA LYS A 87 16.599 12.748 -1.573 1.00 11.25 C ATOM 1204 C LYS A 87 15.214 12.110 -1.543 1.00 74.03 C ATOM 1205 O LYS A 87 14.246 12.727 -1.100 1.00 11.43 O ATOM 1206 CB LYS A 87 17.329 12.468 -0.256 1.00 55.45 C ATOM 1207 CG LYS A 87 16.679 13.118 0.952 1.00 34.31 C ATOM 1208 CD LYS A 87 17.711 13.520 1.992 1.00 20.20 C ATOM 1209 CE LYS A 87 18.698 14.535 1.437 1.00 60.42 C ATOM 1210 NZ LYS A 87 19.184 15.470 2.489 1.00 5.55 N ATOM 0 H LYS A 87 16.521 14.748 -0.952 1.00 72.22 H new ATOM 0 HA LYS A 87 17.163 12.310 -2.396 1.00 11.25 H new ATOM 0 HB2 LYS A 87 17.374 11.390 -0.098 1.00 55.45 H new ATOM 0 HB3 LYS A 87 18.357 12.821 -0.338 1.00 55.45 H new ATOM 0 HG2 LYS A 87 16.119 13.998 0.635 1.00 34.31 H new ATOM 0 HG3 LYS A 87 15.963 12.427 1.397 1.00 34.31 H new ATOM 0 HD2 LYS A 87 17.207 13.940 2.862 1.00 20.20 H new ATOM 0 HD3 LYS A 87 18.250 12.636 2.332 1.00 20.20 H new ATOM 0 HE2 LYS A 87 19.547 14.012 0.996 1.00 60.42 H new ATOM 0 HE3 LYS A 87 18.223 15.103 0.637 1.00 60.42 H new ATOM 0 HZ1 LYS A 87 19.703 16.254 2.044 1.00 5.55 H new ATOM 0 HZ2 LYS A 87 18.373 15.848 3.019 1.00 5.55 H new ATOM 0 HZ3 LYS A 87 19.816 14.962 3.140 1.00 5.55 H new ATOM 1220 N GLU A 88 15.128 10.870 -2.016 1.00 74.00 N ATOM 1221 CA GLU A 88 13.860 10.149 -2.042 1.00 15.21 C ATOM 1222 C GLU A 88 13.817 9.088 -0.948 1.00 24.44 C ATOM 1223 O GLU A 88 14.820 8.436 -0.656 1.00 22.10 O ATOM 1224 CB GLU A 88 13.648 9.496 -3.411 1.00 32.35 C ATOM 1225 CG GLU A 88 12.617 8.383 -3.398 1.00 2.43 C ATOM 1226 CD GLU A 88 13.239 7.013 -3.201 1.00 42.33 C ATOM 1227 OE1 GLU A 88 14.409 6.950 -2.770 1.00 52.52 O ATOM 1228 OE2 GLU A 88 12.555 6.006 -3.477 1.00 40.33 O ATOM 0 H GLU A 88 15.920 10.345 -2.386 1.00 74.00 H new ATOM 0 HA GLU A 88 13.059 10.865 -1.861 1.00 15.21 H new ATOM 0 HB2 GLU A 88 13.338 10.259 -4.125 1.00 32.35 H new ATOM 0 HB3 GLU A 88 14.598 9.096 -3.765 1.00 32.35 H new ATOM 0 HG2 GLU A 88 11.897 8.569 -2.601 1.00 2.43 H new ATOM 0 HG3 GLU A 88 12.063 8.395 -4.337 1.00 2.43 H new ATOM 1233 N THR A 89 12.644 8.919 -0.343 1.00 13.41 N ATOM 1234 CA THR A 89 12.467 7.939 0.721 1.00 1.32 C ATOM 1235 C THR A 89 11.756 6.691 0.207 1.00 70.21 C ATOM 1236 O THR A 89 10.730 6.784 -0.468 1.00 61.03 O ATOM 1237 CB THR A 89 11.665 8.525 1.898 1.00 35.45 C ATOM 1238 OG1 THR A 89 11.463 9.930 1.702 1.00 4.41 O ATOM 1239 CG2 THR A 89 12.388 8.291 3.215 1.00 44.51 C ATOM 0 H THR A 89 11.803 9.449 -0.573 1.00 13.41 H new ATOM 0 HA THR A 89 13.464 7.668 1.070 1.00 1.32 H new ATOM 0 HB THR A 89 10.699 8.021 1.937 1.00 35.45 H new ATOM 0 HG1 THR A 89 12.067 10.432 2.288 1.00 4.41 H new ATOM 0 HG21 THR A 89 11.803 8.714 4.032 1.00 44.51 H new ATOM 0 HG22 THR A 89 12.515 7.220 3.375 1.00 44.51 H new ATOM 0 HG23 THR A 89 13.366 8.771 3.183 1.00 44.51 H new ATOM 1247 N LYS A 90 12.306 5.527 0.531 1.00 43.25 N ATOM 1248 CA LYS A 90 11.723 4.260 0.105 1.00 53.42 C ATOM 1249 C LYS A 90 11.018 3.566 1.265 1.00 13.13 C ATOM 1250 O LYS A 90 11.499 3.587 2.398 1.00 60.04 O ATOM 1251 CB LYS A 90 12.808 3.343 -0.468 1.00 73.03 C ATOM 1252 CG LYS A 90 13.953 4.093 -1.124 1.00 34.12 C ATOM 1253 CD LYS A 90 14.817 3.168 -1.964 1.00 42.33 C ATOM 1254 CE LYS A 90 14.101 2.736 -3.236 1.00 2.03 C ATOM 1255 NZ LYS A 90 14.098 3.815 -4.262 1.00 52.13 N ATOM 0 H LYS A 90 13.156 5.434 1.088 1.00 43.25 H new ATOM 0 HA LYS A 90 10.986 4.471 -0.670 1.00 53.42 H new ATOM 0 HB2 LYS A 90 13.205 2.719 0.333 1.00 73.03 H new ATOM 0 HB3 LYS A 90 12.357 2.673 -1.200 1.00 73.03 H new ATOM 0 HG2 LYS A 90 13.555 4.890 -1.752 1.00 34.12 H new ATOM 0 HG3 LYS A 90 14.565 4.567 -0.357 1.00 34.12 H new ATOM 0 HD2 LYS A 90 15.747 3.673 -2.223 1.00 42.33 H new ATOM 0 HD3 LYS A 90 15.084 2.288 -1.379 1.00 42.33 H new ATOM 0 HE2 LYS A 90 14.586 1.849 -3.643 1.00 2.03 H new ATOM 0 HE3 LYS A 90 13.074 2.457 -2.999 1.00 2.03 H new ATOM 0 HZ1 LYS A 90 13.740 3.437 -5.162 1.00 52.13 H new ATOM 0 HZ2 LYS A 90 13.485 4.594 -3.945 1.00 52.13 H new ATOM 0 HZ3 LYS A 90 15.067 4.169 -4.396 1.00 52.13 H new ATOM 1265 N SER A 91 9.875 2.954 0.976 1.00 24.52 N ATOM 1266 CA SER A 91 9.102 2.257 1.996 1.00 44.42 C ATOM 1267 C SER A 91 8.393 1.041 1.405 1.00 23.32 C ATOM 1268 O SER A 91 7.680 1.149 0.408 1.00 14.31 O ATOM 1269 CB SER A 91 8.077 3.202 2.626 1.00 0.03 C ATOM 1270 OG SER A 91 8.718 4.245 3.342 1.00 61.32 O ATOM 0 H SER A 91 9.463 2.927 0.043 1.00 24.52 H new ATOM 0 HA SER A 91 9.792 1.915 2.767 1.00 44.42 H new ATOM 0 HB2 SER A 91 7.443 3.627 1.848 1.00 0.03 H new ATOM 0 HB3 SER A 91 7.426 2.642 3.297 1.00 0.03 H new ATOM 0 HG SER A 91 8.580 5.095 2.875 1.00 61.32 H new ATOM 1275 N ASN A 92 8.594 -0.114 2.029 1.00 44.10 N ATOM 1276 CA ASN A 92 7.974 -1.351 1.565 1.00 24.14 C ATOM 1277 C ASN A 92 7.172 -2.009 2.683 1.00 24.34 C ATOM 1278 O ASN A 92 7.671 -2.201 3.791 1.00 4.50 O ATOM 1279 CB ASN A 92 9.043 -2.319 1.053 1.00 21.43 C ATOM 1280 CG ASN A 92 8.461 -3.407 0.171 1.00 13.32 C ATOM 1281 OD1 ASN A 92 8.689 -3.430 -1.038 1.00 43.44 O ATOM 1282 ND2 ASN A 92 7.703 -4.316 0.776 1.00 54.45 N ATOM 0 H ASN A 92 9.181 -0.220 2.857 1.00 44.10 H new ATOM 0 HA ASN A 92 7.294 -1.105 0.750 1.00 24.14 H new ATOM 0 HB2 ASN A 92 9.794 -1.763 0.492 1.00 21.43 H new ATOM 0 HB3 ASN A 92 9.552 -2.776 1.901 1.00 21.43 H new ATOM 0 HD21 ASN A 92 7.283 -5.072 0.235 1.00 54.45 H new ATOM 0 HD22 ASN A 92 7.541 -4.258 1.781 1.00 54.45 H new ATOM 1288 N TYR A 93 5.922 -2.352 2.383 1.00 52.41 N ATOM 1289 CA TYR A 93 5.049 -2.986 3.363 1.00 60.42 C ATOM 1290 C TYR A 93 4.437 -4.267 2.799 1.00 35.20 C ATOM 1291 O TYR A 93 3.704 -4.233 1.811 1.00 2.11 O ATOM 1292 CB TYR A 93 3.938 -2.023 3.788 1.00 53.23 C ATOM 1293 CG TYR A 93 4.285 -1.203 5.011 1.00 75.11 C ATOM 1294 CD1 TYR A 93 4.021 -1.681 6.289 1.00 55.33 C ATOM 1295 CD2 TYR A 93 4.874 0.050 4.888 1.00 63.33 C ATOM 1296 CE1 TYR A 93 4.335 -0.936 7.409 1.00 15.15 C ATOM 1297 CE2 TYR A 93 5.192 0.801 6.002 1.00 2.14 C ATOM 1298 CZ TYR A 93 4.921 0.304 7.260 1.00 24.32 C ATOM 1299 OH TYR A 93 5.235 1.051 8.373 1.00 21.35 O ATOM 0 H TYR A 93 5.493 -2.201 1.470 1.00 52.41 H new ATOM 0 HA TYR A 93 5.651 -3.243 4.234 1.00 60.42 H new ATOM 0 HB2 TYR A 93 3.715 -1.350 2.960 1.00 53.23 H new ATOM 0 HB3 TYR A 93 3.031 -2.593 3.988 1.00 53.23 H new ATOM 0 HD1 TYR A 93 3.563 -2.652 6.408 1.00 55.33 H new ATOM 0 HD2 TYR A 93 5.086 0.443 3.905 1.00 63.33 H new ATOM 0 HE1 TYR A 93 4.123 -1.322 8.395 1.00 15.15 H new ATOM 0 HE2 TYR A 93 5.650 1.772 5.889 1.00 2.14 H new ATOM 0 HH TYR A 93 5.642 1.898 8.094 1.00 21.35 H new ATOM 1308 N ARG A 94 4.746 -5.391 3.435 1.00 20.13 N ATOM 1309 CA ARG A 94 4.228 -6.683 2.998 1.00 34.25 C ATOM 1310 C ARG A 94 2.850 -6.948 3.598 1.00 54.14 C ATOM 1311 O ARG A 94 2.648 -6.806 4.803 1.00 14.42 O ATOM 1312 CB ARG A 94 5.193 -7.802 3.394 1.00 24.42 C ATOM 1313 CG ARG A 94 6.657 -7.399 3.326 1.00 33.42 C ATOM 1314 CD ARG A 94 7.082 -7.086 1.900 1.00 3.11 C ATOM 1315 NE ARG A 94 7.449 -8.291 1.162 1.00 53.33 N ATOM 1316 CZ ARG A 94 8.532 -9.014 1.427 1.00 1.14 C ATOM 1317 NH1 ARG A 94 9.349 -8.655 2.408 1.00 25.33 N ATOM 1318 NH2 ARG A 94 8.800 -10.099 0.710 1.00 34.54 N ATOM 0 H ARG A 94 5.352 -5.434 4.254 1.00 20.13 H new ATOM 0 HA ARG A 94 4.133 -6.661 1.912 1.00 34.25 H new ATOM 0 HB2 ARG A 94 4.962 -8.127 4.408 1.00 24.42 H new ATOM 0 HB3 ARG A 94 5.030 -8.658 2.740 1.00 24.42 H new ATOM 0 HG2 ARG A 94 6.825 -6.526 3.957 1.00 33.42 H new ATOM 0 HG3 ARG A 94 7.276 -8.203 3.723 1.00 33.42 H new ATOM 0 HD2 ARG A 94 6.268 -6.578 1.383 1.00 3.11 H new ATOM 0 HD3 ARG A 94 7.928 -6.399 1.916 1.00 3.11 H new ATOM 0 HE ARG A 94 6.841 -8.595 0.401 1.00 53.33 H new ATOM 0 HH11 ARG A 94 9.147 -7.822 2.961 1.00 25.33 H new ATOM 0 HH12 ARG A 94 10.180 -9.212 2.609 1.00 25.33 H new ATOM 0 HH21 ARG A 94 8.174 -10.379 -0.045 1.00 34.54 H new ATOM 0 HH22 ARG A 94 9.632 -10.653 0.915 1.00 34.54 H new ATOM 1329 N VAL A 95 1.905 -7.331 2.747 1.00 63.32 N ATOM 1330 CA VAL A 95 0.545 -7.616 3.192 1.00 62.30 C ATOM 1331 C VAL A 95 0.133 -9.037 2.823 1.00 32.21 C ATOM 1332 O VAL A 95 0.320 -9.474 1.688 1.00 70.11 O ATOM 1333 CB VAL A 95 -0.464 -6.625 2.582 1.00 64.12 C ATOM 1334 CG1 VAL A 95 -1.889 -7.045 2.912 1.00 30.32 C ATOM 1335 CG2 VAL A 95 -0.188 -5.213 3.074 1.00 50.13 C ATOM 0 H VAL A 95 2.055 -7.451 1.745 1.00 63.32 H new ATOM 0 HA VAL A 95 0.537 -7.509 4.277 1.00 62.30 H new ATOM 0 HB VAL A 95 -0.349 -6.636 1.498 1.00 64.12 H new ATOM 0 HG11 VAL A 95 -2.589 -6.334 2.473 1.00 30.32 H new ATOM 0 HG12 VAL A 95 -2.079 -8.038 2.506 1.00 30.32 H new ATOM 0 HG13 VAL A 95 -2.021 -7.064 3.994 1.00 30.32 H new ATOM 0 HG21 VAL A 95 -0.910 -4.526 2.633 1.00 50.13 H new ATOM 0 HG22 VAL A 95 -0.275 -5.183 4.160 1.00 50.13 H new ATOM 0 HG23 VAL A 95 0.819 -4.916 2.782 1.00 50.13 H new ATOM 1345 N ARG A 96 -0.429 -9.753 3.791 1.00 3.04 N ATOM 1346 CA ARG A 96 -0.868 -11.125 3.570 1.00 41.25 C ATOM 1347 C ARG A 96 -2.291 -11.332 4.080 1.00 12.24 C ATOM 1348 O ARG A 96 -2.604 -11.004 5.225 1.00 23.33 O ATOM 1349 CB ARG A 96 0.081 -12.106 4.263 1.00 21.00 C ATOM 1350 CG ARG A 96 0.934 -12.912 3.298 1.00 4.23 C ATOM 1351 CD ARG A 96 1.859 -12.016 2.489 1.00 0.11 C ATOM 1352 NE ARG A 96 3.139 -12.663 2.207 1.00 33.14 N ATOM 1353 CZ ARG A 96 4.186 -12.024 1.699 1.00 50.43 C ATOM 1354 NH1 ARG A 96 4.109 -10.731 1.420 1.00 60.30 N ATOM 1355 NH2 ARG A 96 5.318 -12.681 1.472 1.00 74.43 N ATOM 0 H ARG A 96 -0.591 -9.405 4.736 1.00 3.04 H new ATOM 0 HA ARG A 96 -0.855 -11.314 2.497 1.00 41.25 H new ATOM 0 HB2 ARG A 96 0.735 -11.552 4.937 1.00 21.00 H new ATOM 0 HB3 ARG A 96 -0.503 -12.791 4.878 1.00 21.00 H new ATOM 0 HG2 ARG A 96 1.525 -13.640 3.854 1.00 4.23 H new ATOM 0 HG3 ARG A 96 0.289 -13.474 2.623 1.00 4.23 H new ATOM 0 HD2 ARG A 96 1.374 -11.747 1.551 1.00 0.11 H new ATOM 0 HD3 ARG A 96 2.034 -11.089 3.034 1.00 0.11 H new ATOM 0 HE ARG A 96 3.233 -13.658 2.411 1.00 33.14 H new ATOM 0 HH11 ARG A 96 3.243 -10.222 1.595 1.00 60.30 H new ATOM 0 HH12 ARG A 96 4.916 -10.245 1.030 1.00 60.30 H new ATOM 0 HH21 ARG A 96 5.382 -13.676 1.688 1.00 74.43 H new ATOM 0 HH22 ARG A 96 6.123 -12.191 1.082 1.00 74.43 H new ATOM 1366 N VAL A 97 -3.150 -11.875 3.223 1.00 73.13 N ATOM 1367 CA VAL A 97 -4.538 -12.124 3.588 1.00 21.10 C ATOM 1368 C VAL A 97 -4.724 -13.547 4.103 1.00 62.42 C ATOM 1369 O VAL A 97 -3.761 -14.303 4.232 1.00 5.12 O ATOM 1370 CB VAL A 97 -5.482 -11.897 2.392 1.00 75.53 C ATOM 1371 CG1 VAL A 97 -5.212 -10.546 1.748 1.00 52.40 C ATOM 1372 CG2 VAL A 97 -5.336 -13.021 1.376 1.00 33.33 C ATOM 0 H VAL A 97 -2.908 -12.151 2.271 1.00 73.13 H new ATOM 0 HA VAL A 97 -4.788 -11.418 4.380 1.00 21.10 H new ATOM 0 HB VAL A 97 -6.509 -11.900 2.757 1.00 75.53 H new ATOM 0 HG11 VAL A 97 -5.888 -10.403 0.905 1.00 52.40 H new ATOM 0 HG12 VAL A 97 -5.373 -9.755 2.481 1.00 52.40 H new ATOM 0 HG13 VAL A 97 -4.181 -10.510 1.396 1.00 52.40 H new ATOM 0 HG21 VAL A 97 -6.010 -12.844 0.538 1.00 33.33 H new ATOM 0 HG22 VAL A 97 -4.308 -13.053 1.014 1.00 33.33 H new ATOM 0 HG23 VAL A 97 -5.585 -13.972 1.847 1.00 33.33 H new ATOM 1382 N TYR A 98 -5.970 -13.907 4.396 1.00 15.03 N ATOM 1383 CA TYR A 98 -6.282 -15.239 4.900 1.00 60.42 C ATOM 1384 C TYR A 98 -6.026 -16.298 3.834 1.00 53.42 C ATOM 1385 O TYR A 98 -4.987 -16.958 3.837 1.00 41.23 O ATOM 1386 CB TYR A 98 -7.739 -15.303 5.360 1.00 10.14 C ATOM 1387 CG TYR A 98 -8.191 -16.694 5.746 1.00 71.12 C ATOM 1388 CD1 TYR A 98 -7.692 -17.317 6.883 1.00 2.34 C ATOM 1389 CD2 TYR A 98 -9.116 -17.385 4.973 1.00 54.32 C ATOM 1390 CE1 TYR A 98 -8.101 -18.588 7.240 1.00 24.10 C ATOM 1391 CE2 TYR A 98 -9.532 -18.655 5.322 1.00 40.02 C ATOM 1392 CZ TYR A 98 -9.022 -19.253 6.456 1.00 13.14 C ATOM 1393 OH TYR A 98 -9.433 -20.518 6.805 1.00 42.51 O ATOM 0 H TYR A 98 -6.779 -13.295 4.293 1.00 15.03 H new ATOM 0 HA TYR A 98 -5.630 -15.441 5.750 1.00 60.42 H new ATOM 0 HB2 TYR A 98 -7.872 -14.637 6.213 1.00 10.14 H new ATOM 0 HB3 TYR A 98 -8.380 -14.930 4.561 1.00 10.14 H new ATOM 0 HD1 TYR A 98 -6.972 -16.799 7.499 1.00 2.34 H new ATOM 0 HD2 TYR A 98 -9.517 -16.921 4.084 1.00 54.32 H new ATOM 0 HE1 TYR A 98 -7.702 -19.058 8.127 1.00 24.10 H new ATOM 0 HE2 TYR A 98 -10.253 -19.177 4.710 1.00 40.02 H new ATOM 0 HH TYR A 98 -10.084 -20.843 6.149 1.00 42.51 H new ATOM 1402 N GLN A 99 -6.981 -16.454 2.922 1.00 53.22 N ATOM 1403 CA GLN A 99 -6.860 -17.433 1.849 1.00 4.34 C ATOM 1404 C GLN A 99 -5.676 -17.106 0.944 1.00 74.34 C ATOM 1405 O GLN A 99 -5.361 -15.938 0.717 1.00 22.52 O ATOM 1406 CB GLN A 99 -8.149 -17.483 1.026 1.00 35.42 C ATOM 1407 CG GLN A 99 -8.127 -18.529 -0.076 1.00 71.01 C ATOM 1408 CD GLN A 99 -7.892 -19.930 0.454 1.00 61.32 C ATOM 1409 OE1 GLN A 99 -8.586 -20.279 1.530 1.00 31.00 O flip ATOM 1410 NE2 GLN A 99 -7.097 -20.690 -0.099 1.00 24.10 N flip ATOM 0 H GLN A 99 -7.847 -15.915 2.905 1.00 53.22 H new ATOM 0 HA GLN A 99 -6.689 -18.410 2.301 1.00 4.34 H new ATOM 0 HB2 GLN A 99 -8.988 -17.686 1.692 1.00 35.42 H new ATOM 0 HB3 GLN A 99 -8.325 -16.503 0.582 1.00 35.42 H new ATOM 0 HG2 GLN A 99 -9.074 -18.503 -0.616 1.00 71.01 H new ATOM 0 HG3 GLN A 99 -7.345 -18.280 -0.793 1.00 71.01 H new ATOM 0 HE21 GLN A 99 -6.585 -20.379 -0.924 1.00 24.10 H new ATOM 0 HE22 GLN A 99 -6.951 -21.630 0.268 1.00 24.10 H new ATOM 1417 N ILE A 100 -5.026 -18.144 0.431 1.00 42.23 N ATOM 1418 CA ILE A 100 -3.878 -17.965 -0.450 1.00 42.12 C ATOM 1419 C ILE A 100 -4.118 -18.622 -1.805 1.00 11.20 C ATOM 1420 O ILE A 100 -4.962 -19.504 -1.955 1.00 61.22 O ATOM 1421 CB ILE A 100 -2.595 -18.551 0.172 1.00 75.41 C ATOM 1422 CG1 ILE A 100 -2.947 -19.530 1.294 1.00 34.21 C ATOM 1423 CG2 ILE A 100 -1.703 -17.436 0.694 1.00 34.44 C ATOM 1424 CD1 ILE A 100 -1.741 -20.213 1.899 1.00 60.02 C ATOM 0 H ILE A 100 -5.274 -19.117 0.610 1.00 42.23 H new ATOM 0 HA ILE A 100 -3.749 -16.891 -0.587 1.00 42.12 H new ATOM 0 HB ILE A 100 -2.050 -19.094 -0.600 1.00 75.41 H new ATOM 0 HG12 ILE A 100 -3.483 -18.995 2.078 1.00 34.21 H new ATOM 0 HG13 ILE A 100 -3.626 -20.288 0.904 1.00 34.21 H new ATOM 0 HG21 ILE A 100 -0.801 -17.866 1.130 1.00 34.44 H new ATOM 0 HG22 ILE A 100 -1.429 -16.774 -0.128 1.00 34.44 H new ATOM 0 HG23 ILE A 100 -2.238 -16.867 1.454 1.00 34.44 H new ATOM 0 HD11 ILE A 100 -2.065 -20.892 2.687 1.00 60.02 H new ATOM 0 HD12 ILE A 100 -1.217 -20.777 1.127 1.00 60.02 H new ATOM 0 HD13 ILE A 100 -1.071 -19.463 2.319 1.00 60.02 H new ATOM 1435 N PRO A 101 -3.356 -18.182 -2.818 1.00 61.21 N ATOM 1436 CA PRO A 101 -3.465 -18.715 -4.180 1.00 32.24 C ATOM 1437 C PRO A 101 -2.953 -20.146 -4.285 1.00 55.51 C ATOM 1438 O PRO A 101 -3.508 -20.962 -5.020 1.00 43.32 O ATOM 1439 CB PRO A 101 -2.586 -17.769 -5.002 1.00 2.41 C ATOM 1440 CG PRO A 101 -1.602 -17.222 -4.026 1.00 3.01 C ATOM 1441 CD PRO A 101 -2.328 -17.132 -2.711 1.00 70.34 C ATOM 0 HA PRO A 101 -4.500 -18.759 -4.519 1.00 32.24 H new ATOM 0 HB2 PRO A 101 -2.086 -18.298 -5.814 1.00 2.41 H new ATOM 0 HB3 PRO A 101 -3.177 -16.974 -5.456 1.00 2.41 H new ATOM 0 HG2 PRO A 101 -0.730 -17.871 -3.946 1.00 3.01 H new ATOM 0 HG3 PRO A 101 -1.243 -16.242 -4.341 1.00 3.01 H new ATOM 0 HD2 PRO A 101 -1.659 -17.309 -1.869 1.00 70.34 H new ATOM 0 HD3 PRO A 101 -2.772 -16.148 -2.564 1.00 70.34 H new