USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 769 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 27 GLN : amide:sc= -7.1! C(o=-11!,f=-8.4!) USER MOD Set 1.2: A 95 GLN : amide:sc= -3.99! K(o=-11!,f=-3) USER MOD Single : A 3 SER OG : rot 33:sc= 0.0555 USER MOD Single : A 7 MET CE :methyl -168:sc= -1.85 (180deg=-2.1) USER MOD Single : A 11 THR OG1 : rot -17:sc= 1.2 USER MOD Single : A 13 MET CE :methyl 176:sc= -0.0653 (180deg=-0.102) USER MOD Single : A 14 MET CE :methyl 162:sc= -0.195 (180deg=-0.804) USER MOD Single : A 17 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= -1 K(o=-1,f=-6.2!) USER MOD Single : A 20 MET CE :methyl -129:sc= -0.0887 (180deg=-1.12) USER MOD Single : A 26 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.088) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -1.19 USER MOD Single : A 63 GLN : amide:sc=-0.00575 X(o=-0.0058,f=-0.47) USER MOD Single : A 68 CYS SG : rot 66:sc= 0.124 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -0.0019 (180deg=-0.0968) USER MOD Single : A 72 HIS : no HD1:sc= 1.22 K(o=1.2,f=-4.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -123:sc= -5.9! USER MOD Single : A 85 GLN : amide:sc= 0.363 K(o=0.36,f=-8.2!) USER MOD Single : A 90 GLN : amide:sc= -0.098 K(o=-0.098,f=-4.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 103 SER OG : rot 60:sc= 1.18 USER MOD Single : A 106 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.19) USER MOD Single : A 112 MET CE :methyl -167:sc= -1.3 (180deg=-1.93!) USER MOD Single : A 113 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.816) USER MOD Single : A 114 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.77) USER MOD Single : A 119 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.418 4.457 -3.246 1.00 0.00 N ATOM 38 CA SER A 3 -22.336 4.257 -1.833 1.00 0.00 C ATOM 39 C SER A 3 -20.924 4.606 -1.379 1.00 0.00 C ATOM 40 O SER A 3 -19.954 4.351 -2.112 1.00 0.00 O ATOM 41 CB SER A 3 -22.677 2.808 -1.479 1.00 0.00 C ATOM 42 OG SER A 3 -24.005 2.492 -1.866 1.00 0.00 O ATOM 0 HA SER A 3 -23.054 4.899 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.979 2.134 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.560 2.654 -0.406 1.00 0.00 H new ATOM 0 HG SER A 3 -24.236 2.990 -2.678 1.00 0.00 H new ATOM 48 N PRO A 4 -20.782 5.211 -0.186 1.00 0.00 N ATOM 49 CA PRO A 4 -19.474 5.609 0.358 1.00 0.00 C ATOM 50 C PRO A 4 -18.458 4.476 0.319 1.00 0.00 C ATOM 51 O PRO A 4 -17.258 4.711 0.191 1.00 0.00 O ATOM 52 CB PRO A 4 -19.795 5.982 1.804 1.00 0.00 C ATOM 53 CG PRO A 4 -21.216 6.421 1.769 1.00 0.00 C ATOM 54 CD PRO A 4 -21.888 5.569 0.727 1.00 0.00 C ATOM 0 HA PRO A 4 -19.022 6.416 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.659 5.132 2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.142 6.778 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.688 6.292 2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.291 7.479 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.349 4.684 1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.677 6.115 0.209 1.00 0.00 H new ATOM 62 N ALA A 5 -18.959 3.250 0.386 1.00 0.00 N ATOM 63 CA ALA A 5 -18.124 2.066 0.391 1.00 0.00 C ATOM 64 C ALA A 5 -17.261 1.959 -0.863 1.00 0.00 C ATOM 65 O ALA A 5 -16.114 1.538 -0.787 1.00 0.00 O ATOM 66 CB ALA A 5 -18.977 0.817 0.548 1.00 0.00 C ATOM 0 H ALA A 5 -19.958 3.053 0.438 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.449 2.154 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.335 -0.064 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.527 0.868 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.681 0.751 -0.281 1.00 0.00 H new ATOM 72 N GLU A 6 -17.795 2.354 -2.018 1.00 0.00 N ATOM 73 CA GLU A 6 -17.026 2.214 -3.238 1.00 0.00 C ATOM 74 C GLU A 6 -15.952 3.282 -3.323 1.00 0.00 C ATOM 75 O GLU A 6 -14.794 2.999 -3.628 1.00 0.00 O ATOM 76 CB GLU A 6 -17.924 2.219 -4.473 1.00 0.00 C ATOM 77 CG GLU A 6 -17.209 1.762 -5.735 1.00 0.00 C ATOM 78 CD GLU A 6 -18.158 1.439 -6.861 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.744 0.338 -6.845 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.319 2.277 -7.770 1.00 0.00 O ATOM 0 H GLU A 6 -18.725 2.759 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.530 1.244 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.781 1.570 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.313 3.225 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.520 2.542 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.609 0.881 -5.508 1.00 0.00 H new ATOM 87 N MET A 7 -16.343 4.504 -3.046 1.00 0.00 N ATOM 88 CA MET A 7 -15.416 5.634 -3.041 1.00 0.00 C ATOM 89 C MET A 7 -14.234 5.405 -2.091 1.00 0.00 C ATOM 90 O MET A 7 -13.084 5.684 -2.447 1.00 0.00 O ATOM 91 CB MET A 7 -16.149 6.927 -2.687 1.00 0.00 C ATOM 92 CG MET A 7 -17.203 7.320 -3.711 1.00 0.00 C ATOM 93 SD MET A 7 -18.066 8.846 -3.295 1.00 0.00 S ATOM 94 CE MET A 7 -18.854 8.386 -1.755 1.00 0.00 C ATOM 0 H MET A 7 -17.306 4.752 -2.818 1.00 0.00 H new ATOM 0 HA MET A 7 -15.008 5.724 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.624 6.812 -1.713 1.00 0.00 H new ATOM 0 HB3 MET A 7 -15.423 7.735 -2.595 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.728 7.433 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.930 6.513 -3.802 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.590 9.143 -1.483 1.00 0.00 H new ATOM 0 HE2 MET A 7 -19.351 7.423 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 7 -18.102 8.312 -0.969 1.00 0.00 H new ATOM 104 N VAL A 8 -14.506 4.880 -0.897 1.00 0.00 N ATOM 105 CA VAL A 8 -13.435 4.630 0.061 1.00 0.00 C ATOM 106 C VAL A 8 -12.534 3.491 -0.412 1.00 0.00 C ATOM 107 O VAL A 8 -11.323 3.534 -0.217 1.00 0.00 O ATOM 108 CB VAL A 8 -13.954 4.354 1.501 1.00 0.00 C ATOM 109 CG1 VAL A 8 -14.746 5.543 2.024 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.786 3.083 1.568 1.00 0.00 C ATOM 0 H VAL A 8 -15.440 4.625 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.851 5.549 0.111 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.083 4.208 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.100 5.329 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.107 6.426 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.599 5.727 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.129 2.926 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.647 3.177 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.179 2.234 1.255 1.00 0.00 H new ATOM 120 N LEU A 9 -13.125 2.500 -1.077 1.00 0.00 N ATOM 121 CA LEU A 9 -12.367 1.380 -1.619 1.00 0.00 C ATOM 122 C LEU A 9 -11.297 1.869 -2.556 1.00 0.00 C ATOM 123 O LEU A 9 -10.179 1.351 -2.564 1.00 0.00 O ATOM 124 CB LEU A 9 -13.290 0.405 -2.350 1.00 0.00 C ATOM 125 CG LEU A 9 -14.000 -0.609 -1.469 1.00 0.00 C ATOM 126 CD1 LEU A 9 -15.128 -1.282 -2.227 1.00 0.00 C ATOM 127 CD2 LEU A 9 -13.013 -1.648 -0.977 1.00 0.00 C ATOM 0 H LEU A 9 -14.129 2.452 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.896 0.859 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.042 0.980 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.704 -0.134 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.425 -0.085 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.623 -2.004 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.849 -0.531 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.724 -1.796 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.530 -2.371 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.570 -2.162 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.228 -1.159 -0.400 1.00 0.00 H new ATOM 139 N GLU A 10 -11.619 2.896 -3.326 1.00 0.00 N ATOM 140 CA GLU A 10 -10.685 3.427 -4.258 1.00 0.00 C ATOM 141 C GLU A 10 -9.563 4.108 -3.540 1.00 0.00 C ATOM 142 O GLU A 10 -8.434 3.874 -3.844 1.00 0.00 O ATOM 143 CB GLU A 10 -11.346 4.390 -5.237 1.00 0.00 C ATOM 144 CG GLU A 10 -12.358 3.737 -6.155 1.00 0.00 C ATOM 145 CD GLU A 10 -12.693 4.605 -7.340 1.00 0.00 C ATOM 146 OE1 GLU A 10 -13.496 5.549 -7.186 1.00 0.00 O ATOM 147 OE2 GLU A 10 -12.155 4.353 -8.434 1.00 0.00 O ATOM 0 H GLU A 10 -12.524 3.366 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.287 2.592 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.839 5.182 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.573 4.863 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.966 2.782 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.268 3.522 -5.595 1.00 0.00 H new ATOM 154 N THR A 11 -9.879 4.917 -2.542 1.00 0.00 N ATOM 155 CA THR A 11 -8.844 5.662 -1.833 1.00 0.00 C ATOM 156 C THR A 11 -7.723 4.739 -1.318 1.00 0.00 C ATOM 157 O THR A 11 -6.526 5.038 -1.470 1.00 0.00 O ATOM 158 CB THR A 11 -9.420 6.506 -0.667 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.001 5.668 0.339 1.00 0.00 O ATOM 160 CG2 THR A 11 -10.464 7.490 -1.177 1.00 0.00 C ATOM 0 H THR A 11 -10.829 5.076 -2.206 1.00 0.00 H new ATOM 0 HA THR A 11 -8.415 6.349 -2.562 1.00 0.00 H new ATOM 0 HB THR A 11 -8.593 7.061 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.157 4.774 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.855 8.071 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.007 8.161 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.279 6.943 -1.651 1.00 0.00 H new ATOM 168 N LEU A 12 -8.101 3.596 -0.778 1.00 0.00 N ATOM 169 CA LEU A 12 -7.121 2.683 -0.232 1.00 0.00 C ATOM 170 C LEU A 12 -6.493 1.796 -1.303 1.00 0.00 C ATOM 171 O LEU A 12 -5.285 1.593 -1.290 1.00 0.00 O ATOM 172 CB LEU A 12 -7.700 1.856 0.914 1.00 0.00 C ATOM 173 CG LEU A 12 -8.991 1.115 0.619 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.754 -0.373 0.619 1.00 0.00 C ATOM 175 CD2 LEU A 12 -10.063 1.483 1.628 1.00 0.00 C ATOM 0 H LEU A 12 -9.069 3.282 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.318 3.295 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.950 1.128 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.871 2.519 1.762 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.338 1.411 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.689 -0.890 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.018 -0.624 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.383 -0.682 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.980 0.941 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.726 1.218 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.254 2.555 1.581 1.00 0.00 H new ATOM 187 N MET A 13 -7.293 1.314 -2.263 1.00 0.00 N ATOM 188 CA MET A 13 -6.767 0.426 -3.320 1.00 0.00 C ATOM 189 C MET A 13 -6.010 1.212 -4.370 1.00 0.00 C ATOM 190 O MET A 13 -5.235 0.663 -5.136 1.00 0.00 O ATOM 191 CB MET A 13 -7.876 -0.387 -3.989 1.00 0.00 C ATOM 192 CG MET A 13 -7.821 -1.861 -3.647 1.00 0.00 C ATOM 193 SD MET A 13 -8.263 -2.180 -1.941 1.00 0.00 S ATOM 194 CE MET A 13 -7.543 -3.787 -1.692 1.00 0.00 C ATOM 0 H MET A 13 -8.290 1.516 -2.334 1.00 0.00 H new ATOM 0 HA MET A 13 -6.082 -0.267 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.844 0.014 -3.688 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.804 -0.268 -5.070 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.496 -2.409 -4.304 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.816 -2.238 -3.836 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.675 -4.088 -0.653 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.033 -4.510 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.479 -3.749 -1.927 1.00 0.00 H new ATOM 204 N MET A 14 -6.211 2.491 -4.354 1.00 0.00 N ATOM 205 CA MET A 14 -5.595 3.374 -5.325 1.00 0.00 C ATOM 206 C MET A 14 -4.230 3.754 -4.861 1.00 0.00 C ATOM 207 O MET A 14 -3.279 3.748 -5.642 1.00 0.00 O ATOM 208 CB MET A 14 -6.435 4.620 -5.584 1.00 0.00 C ATOM 209 CG MET A 14 -5.813 5.617 -6.544 1.00 0.00 C ATOM 210 SD MET A 14 -6.937 6.968 -6.953 1.00 0.00 S ATOM 211 CE MET A 14 -7.385 7.553 -5.318 1.00 0.00 C ATOM 0 H MET A 14 -6.804 2.964 -3.673 1.00 0.00 H new ATOM 0 HA MET A 14 -5.525 2.835 -6.270 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.404 4.313 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.622 5.120 -4.633 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.904 6.025 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.519 5.102 -7.459 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.803 8.557 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.126 6.883 -4.882 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.499 7.576 -4.684 1.00 0.00 H new ATOM 221 N GLU A 15 -4.094 4.047 -3.572 1.00 0.00 N ATOM 222 CA GLU A 15 -2.817 4.415 -3.088 1.00 0.00 C ATOM 223 C GLU A 15 -2.020 3.179 -2.779 1.00 0.00 C ATOM 224 O GLU A 15 -0.811 3.187 -2.889 1.00 0.00 O ATOM 225 CB GLU A 15 -2.915 5.348 -1.903 1.00 0.00 C ATOM 226 CG GLU A 15 -3.679 6.625 -2.206 1.00 0.00 C ATOM 227 CD GLU A 15 -3.564 7.646 -1.105 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.677 8.522 -1.195 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.355 7.579 -0.139 1.00 0.00 O ATOM 0 H GLU A 15 -4.843 4.031 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.293 4.973 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.403 4.828 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.910 5.605 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.306 7.055 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.730 6.385 -2.365 1.00 0.00 H new ATOM 236 N LEU A 16 -2.711 2.090 -2.402 1.00 0.00 N ATOM 237 CA LEU A 16 -2.028 0.821 -2.195 1.00 0.00 C ATOM 238 C LEU A 16 -1.368 0.391 -3.489 1.00 0.00 C ATOM 239 O LEU A 16 -0.236 -0.040 -3.492 1.00 0.00 O ATOM 240 CB LEU A 16 -2.999 -0.270 -1.698 1.00 0.00 C ATOM 241 CG LEU A 16 -2.358 -1.493 -0.995 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.711 -2.456 -1.979 1.00 0.00 C ATOM 243 CD2 LEU A 16 -1.337 -1.039 0.020 1.00 0.00 C ATOM 0 H LEU A 16 -3.718 2.070 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.270 0.958 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.705 0.190 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.575 -0.629 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.164 -2.028 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.277 -3.295 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.464 -2.825 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.928 -1.939 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.895 -1.909 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.556 -0.467 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.822 -0.413 0.769 1.00 0.00 H new ATOM 255 N THR A 17 -2.091 0.530 -4.587 1.00 0.00 N ATOM 256 CA THR A 17 -1.549 0.189 -5.897 1.00 0.00 C ATOM 257 C THR A 17 -0.325 1.053 -6.220 1.00 0.00 C ATOM 258 O THR A 17 0.731 0.540 -6.596 1.00 0.00 O ATOM 259 CB THR A 17 -2.603 0.350 -7.011 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.695 -0.554 -6.790 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.000 0.084 -8.387 1.00 0.00 C ATOM 0 H THR A 17 -3.051 0.875 -4.601 1.00 0.00 H new ATOM 0 HA THR A 17 -1.251 -0.859 -5.857 1.00 0.00 H new ATOM 0 HB THR A 17 -2.963 1.379 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.463 -0.059 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.768 0.206 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.190 0.789 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.610 -0.933 -8.423 1.00 0.00 H new ATOM 269 N GLY A 18 -0.470 2.361 -6.038 1.00 0.00 N ATOM 270 CA GLY A 18 0.604 3.276 -6.322 1.00 0.00 C ATOM 271 C GLY A 18 1.780 3.075 -5.410 1.00 0.00 C ATOM 272 O GLY A 18 2.920 3.263 -5.814 1.00 0.00 O ATOM 0 H GLY A 18 -1.324 2.801 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.923 3.148 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.242 4.299 -6.224 1.00 0.00 H new ATOM 276 N GLN A 19 1.507 2.667 -4.184 1.00 0.00 N ATOM 277 CA GLN A 19 2.552 2.449 -3.230 1.00 0.00 C ATOM 278 C GLN A 19 3.181 1.090 -3.442 1.00 0.00 C ATOM 279 O GLN A 19 4.357 0.922 -3.229 1.00 0.00 O ATOM 280 CB GLN A 19 2.040 2.621 -1.797 1.00 0.00 C ATOM 281 CG GLN A 19 1.819 4.082 -1.414 1.00 0.00 C ATOM 282 CD GLN A 19 1.190 4.258 -0.045 1.00 0.00 C ATOM 283 OE1 GLN A 19 0.393 3.439 0.400 1.00 0.00 O ATOM 284 NE2 GLN A 19 1.553 5.327 0.633 1.00 0.00 N ATOM 0 H GLN A 19 0.566 2.483 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 19 3.324 3.203 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.103 2.076 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.754 2.174 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.776 4.604 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.181 4.553 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.219 5.986 0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.168 5.496 1.562 1.00 0.00 H new ATOM 293 N MET A 20 2.385 0.128 -3.877 1.00 0.00 N ATOM 294 CA MET A 20 2.894 -1.205 -4.200 1.00 0.00 C ATOM 295 C MET A 20 3.843 -1.108 -5.372 1.00 0.00 C ATOM 296 O MET A 20 4.961 -1.617 -5.334 1.00 0.00 O ATOM 297 CB MET A 20 1.732 -2.165 -4.533 1.00 0.00 C ATOM 298 CG MET A 20 2.173 -3.512 -5.098 1.00 0.00 C ATOM 299 SD MET A 20 0.790 -4.610 -5.493 1.00 0.00 S ATOM 300 CE MET A 20 0.125 -4.930 -3.861 1.00 0.00 C ATOM 0 H MET A 20 1.381 0.240 -4.017 1.00 0.00 H new ATOM 0 HA MET A 20 3.425 -1.602 -3.335 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.148 -2.337 -3.629 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.071 -1.681 -5.252 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.764 -3.345 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.825 -4.005 -4.377 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.015 -6.005 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.803 -4.530 -3.107 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.849 -4.450 -3.764 1.00 0.00 H new ATOM 310 N ARG A 21 3.383 -0.422 -6.386 1.00 0.00 N ATOM 311 CA ARG A 21 4.163 -0.198 -7.584 1.00 0.00 C ATOM 312 C ARG A 21 5.429 0.582 -7.245 1.00 0.00 C ATOM 313 O ARG A 21 6.546 0.160 -7.580 1.00 0.00 O ATOM 314 CB ARG A 21 3.345 0.565 -8.624 1.00 0.00 C ATOM 315 CG ARG A 21 4.090 0.807 -9.923 1.00 0.00 C ATOM 316 CD ARG A 21 3.259 1.618 -10.891 1.00 0.00 C ATOM 317 NE ARG A 21 3.952 1.826 -12.159 1.00 0.00 N ATOM 318 CZ ARG A 21 3.548 2.670 -13.104 1.00 0.00 C ATOM 319 NH1 ARG A 21 2.464 3.419 -12.913 1.00 0.00 N ATOM 320 NH2 ARG A 21 4.228 2.771 -14.235 1.00 0.00 N ATOM 0 H ARG A 21 2.455 -0.000 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 21 4.439 -1.166 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.432 0.008 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.043 1.524 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.024 1.329 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.352 -0.148 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.313 1.108 -11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.020 2.583 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 21 4.802 1.289 -12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.941 3.346 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.156 4.066 -13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.062 2.202 -14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.919 3.418 -14.960 1.00 0.00 H new ATOM 334 N GLU A 22 5.245 1.725 -6.589 1.00 0.00 N ATOM 335 CA GLU A 22 6.360 2.571 -6.187 1.00 0.00 C ATOM 336 C GLU A 22 7.335 1.833 -5.277 1.00 0.00 C ATOM 337 O GLU A 22 8.531 1.825 -5.533 1.00 0.00 O ATOM 338 CB GLU A 22 5.857 3.841 -5.498 1.00 0.00 C ATOM 339 CG GLU A 22 6.939 4.879 -5.255 1.00 0.00 C ATOM 340 CD GLU A 22 7.578 5.350 -6.543 1.00 0.00 C ATOM 341 OE1 GLU A 22 7.098 6.342 -7.123 1.00 0.00 O ATOM 342 OE2 GLU A 22 8.567 4.730 -6.988 1.00 0.00 O ATOM 0 H GLU A 22 4.328 2.086 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 22 6.896 2.848 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.071 4.286 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.406 3.570 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.510 5.733 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.705 4.457 -4.604 1.00 0.00 H new ATOM 349 N ALA A 23 6.819 1.190 -4.235 1.00 0.00 N ATOM 350 CA ALA A 23 7.681 0.501 -3.266 1.00 0.00 C ATOM 351 C ALA A 23 8.481 -0.606 -3.925 1.00 0.00 C ATOM 352 O ALA A 23 9.646 -0.822 -3.594 1.00 0.00 O ATOM 353 CB ALA A 23 6.875 -0.052 -2.109 1.00 0.00 C ATOM 0 H ALA A 23 5.821 1.128 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 23 8.380 1.241 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.542 -0.556 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.363 0.764 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.139 -0.763 -2.485 1.00 0.00 H new ATOM 359 N GLU A 24 7.851 -1.302 -4.857 1.00 0.00 N ATOM 360 CA GLU A 24 8.510 -2.362 -5.593 1.00 0.00 C ATOM 361 C GLU A 24 9.668 -1.775 -6.402 1.00 0.00 C ATOM 362 O GLU A 24 10.784 -2.293 -6.376 1.00 0.00 O ATOM 363 CB GLU A 24 7.487 -3.072 -6.495 1.00 0.00 C ATOM 364 CG GLU A 24 7.968 -4.373 -7.126 1.00 0.00 C ATOM 365 CD GLU A 24 8.679 -4.168 -8.441 1.00 0.00 C ATOM 366 OE1 GLU A 24 8.072 -3.576 -9.362 1.00 0.00 O ATOM 367 OE2 GLU A 24 9.824 -4.622 -8.575 1.00 0.00 O ATOM 0 H GLU A 24 6.878 -1.149 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 24 8.921 -3.101 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.593 -3.281 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.193 -2.388 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.639 -4.879 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.114 -5.032 -7.281 1.00 0.00 H new ATOM 374 N ARG A 25 9.401 -0.654 -7.077 1.00 0.00 N ATOM 375 CA ARG A 25 10.418 0.028 -7.868 1.00 0.00 C ATOM 376 C ARG A 25 11.525 0.576 -6.965 1.00 0.00 C ATOM 377 O ARG A 25 12.701 0.551 -7.323 1.00 0.00 O ATOM 378 CB ARG A 25 9.787 1.151 -8.715 1.00 0.00 C ATOM 379 CG ARG A 25 10.783 1.941 -9.564 1.00 0.00 C ATOM 380 CD ARG A 25 11.336 3.148 -8.812 1.00 0.00 C ATOM 381 NE ARG A 25 12.517 3.708 -9.468 1.00 0.00 N ATOM 382 CZ ARG A 25 12.633 4.967 -9.888 1.00 0.00 C ATOM 383 NH1 ARG A 25 11.618 5.824 -9.755 1.00 0.00 N ATOM 384 NH2 ARG A 25 13.772 5.364 -10.442 1.00 0.00 N ATOM 0 H ARG A 25 8.487 -0.202 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 25 10.866 -0.695 -8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.035 0.714 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.267 1.841 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.605 1.289 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.295 2.275 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.564 3.914 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.592 2.855 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 25 13.313 3.087 -9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.744 5.517 -9.329 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.717 6.786 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.546 4.708 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.873 6.325 -10.767 1.00 0.00 H new ATOM 398 N GLN A 26 11.141 1.068 -5.795 1.00 0.00 N ATOM 399 CA GLN A 26 12.104 1.584 -4.829 1.00 0.00 C ATOM 400 C GLN A 26 13.072 0.484 -4.408 1.00 0.00 C ATOM 401 O GLN A 26 14.256 0.733 -4.196 1.00 0.00 O ATOM 402 CB GLN A 26 11.393 2.151 -3.598 1.00 0.00 C ATOM 403 CG GLN A 26 10.526 3.380 -3.867 1.00 0.00 C ATOM 404 CD GLN A 26 11.301 4.694 -3.901 1.00 0.00 C ATOM 405 OE1 GLN A 26 10.762 5.747 -3.554 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.557 4.649 -4.305 1.00 0.00 N ATOM 0 H GLN A 26 10.169 1.121 -5.491 1.00 0.00 H new ATOM 0 HA GLN A 26 12.663 2.389 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.767 1.370 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.143 2.409 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.013 3.248 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.757 3.444 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.971 3.760 -4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.113 5.503 -4.337 1.00 0.00 H new ATOM 415 N GLN A 27 12.564 -0.735 -4.301 1.00 0.00 N ATOM 416 CA GLN A 27 13.396 -1.866 -3.936 1.00 0.00 C ATOM 417 C GLN A 27 14.305 -2.256 -5.091 1.00 0.00 C ATOM 418 O GLN A 27 15.392 -2.790 -4.879 1.00 0.00 O ATOM 419 CB GLN A 27 12.550 -3.046 -3.482 1.00 0.00 C ATOM 420 CG GLN A 27 11.774 -2.768 -2.209 1.00 0.00 C ATOM 421 CD GLN A 27 11.013 -3.970 -1.720 1.00 0.00 C ATOM 422 OE1 GLN A 27 9.867 -4.183 -2.085 1.00 0.00 O ATOM 423 NE2 GLN A 27 11.637 -4.754 -0.871 1.00 0.00 N ATOM 0 H GLN A 27 11.583 -0.963 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 27 14.023 -1.568 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.851 -3.311 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.196 -3.910 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.464 -2.439 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.077 -1.948 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.595 -4.542 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.164 -5.575 -0.492 1.00 0.00 H new ATOM 432 N ARG A 28 13.861 -1.971 -6.312 1.00 0.00 N ATOM 433 CA ARG A 28 14.677 -2.215 -7.498 1.00 0.00 C ATOM 434 C ARG A 28 15.895 -1.307 -7.449 1.00 0.00 C ATOM 435 O ARG A 28 16.997 -1.706 -7.808 1.00 0.00 O ATOM 436 CB ARG A 28 13.877 -1.943 -8.777 1.00 0.00 C ATOM 437 CG ARG A 28 12.566 -2.704 -8.854 1.00 0.00 C ATOM 438 CD ARG A 28 12.780 -4.192 -9.053 1.00 0.00 C ATOM 439 NE ARG A 28 13.087 -4.522 -10.444 1.00 0.00 N ATOM 440 CZ ARG A 28 12.168 -4.900 -11.341 1.00 0.00 C ATOM 441 NH1 ARG A 28 10.887 -4.988 -10.994 1.00 0.00 N ATOM 442 NH2 ARG A 28 12.529 -5.187 -12.586 1.00 0.00 N ATOM 0 H ARG A 28 12.943 -1.572 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 28 14.987 -3.260 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.671 -0.875 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.489 -2.205 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.998 -2.539 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.967 -2.311 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.595 -4.530 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.885 -4.731 -8.742 1.00 0.00 H new ATOM 0 HE ARG A 28 14.058 -4.461 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.601 -4.767 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.191 -5.277 -11.682 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.509 -5.120 -12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.826 -5.475 -13.267 1.00 0.00 H new ATOM 456 N GLU A 29 15.676 -0.079 -6.982 1.00 0.00 N ATOM 457 CA GLU A 29 16.750 0.889 -6.811 1.00 0.00 C ATOM 458 C GLU A 29 17.748 0.373 -5.780 1.00 0.00 C ATOM 459 O GLU A 29 18.960 0.426 -5.989 1.00 0.00 O ATOM 460 CB GLU A 29 16.186 2.235 -6.347 1.00 0.00 C ATOM 461 CG GLU A 29 15.164 2.845 -7.290 1.00 0.00 C ATOM 462 CD GLU A 29 15.733 3.123 -8.661 1.00 0.00 C ATOM 463 OE1 GLU A 29 16.835 3.704 -8.745 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.076 2.778 -9.661 1.00 0.00 O ATOM 0 H GLU A 29 14.755 0.268 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 29 17.252 1.027 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.726 2.104 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.011 2.937 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.313 2.170 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.788 3.774 -6.861 1.00 0.00 H new ATOM 471 N ARG A 30 17.213 -0.143 -4.675 1.00 0.00 N ATOM 472 CA ARG A 30 18.030 -0.701 -3.599 1.00 0.00 C ATOM 473 C ARG A 30 18.825 -1.901 -4.118 1.00 0.00 C ATOM 474 O ARG A 30 20.008 -2.053 -3.829 1.00 0.00 O ATOM 475 CB ARG A 30 17.137 -1.119 -2.414 1.00 0.00 C ATOM 476 CG ARG A 30 16.305 0.026 -1.837 1.00 0.00 C ATOM 477 CD ARG A 30 15.297 -0.459 -0.797 1.00 0.00 C ATOM 478 NE ARG A 30 15.929 -0.888 0.455 1.00 0.00 N ATOM 479 CZ ARG A 30 15.271 -1.057 1.615 1.00 0.00 C ATOM 480 NH1 ARG A 30 13.956 -0.830 1.687 1.00 0.00 N ATOM 481 NH2 ARG A 30 15.926 -1.448 2.697 1.00 0.00 N ATOM 0 H ARG A 30 16.209 -0.186 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 30 18.729 0.060 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.467 -1.915 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.765 -1.533 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.969 0.761 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.776 0.531 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.588 0.342 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.725 -1.289 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 30 16.933 -1.070 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.445 -0.526 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.464 -0.960 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.930 -1.621 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.427 -1.576 3.577 1.00 0.00 H new ATOM 495 N SER A 31 18.153 -2.742 -4.892 1.00 0.00 N ATOM 496 CA SER A 31 18.774 -3.910 -5.504 1.00 0.00 C ATOM 497 C SER A 31 19.881 -3.487 -6.454 1.00 0.00 C ATOM 498 O SER A 31 20.951 -4.075 -6.471 1.00 0.00 O ATOM 499 CB SER A 31 17.724 -4.731 -6.255 1.00 0.00 C ATOM 500 OG SER A 31 18.306 -5.842 -6.912 1.00 0.00 O ATOM 0 H SER A 31 17.163 -2.635 -5.114 1.00 0.00 H new ATOM 0 HA SER A 31 19.208 -4.525 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.964 -5.078 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.220 -4.098 -6.985 1.00 0.00 H new ATOM 0 HG SER A 31 17.609 -6.347 -7.381 1.00 0.00 H new ATOM 506 N ASN A 32 19.607 -2.454 -7.223 1.00 0.00 N ATOM 507 CA ASN A 32 20.568 -1.920 -8.176 1.00 0.00 C ATOM 508 C ASN A 32 21.814 -1.421 -7.447 1.00 0.00 C ATOM 509 O ASN A 32 22.938 -1.597 -7.914 1.00 0.00 O ATOM 510 CB ASN A 32 19.909 -0.805 -9.011 1.00 0.00 C ATOM 511 CG ASN A 32 20.733 0.462 -9.090 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.554 0.631 -9.994 1.00 0.00 O ATOM 513 ND2 ASN A 32 20.508 1.360 -8.150 1.00 0.00 N ATOM 0 H ASN A 32 18.715 -1.959 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 32 20.883 -2.710 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.731 -1.176 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.935 -0.569 -8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.024 2.240 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.818 1.174 -7.422 1.00 0.00 H new ATOM 862 N LEU A 56 -1.664 -9.567 -5.154 1.00 0.00 N ATOM 863 CA LEU A 56 -3.015 -9.152 -4.853 1.00 0.00 C ATOM 864 C LEU A 56 -3.994 -10.025 -5.614 1.00 0.00 C ATOM 865 O LEU A 56 -4.501 -9.648 -6.679 1.00 0.00 O ATOM 866 CB LEU A 56 -3.233 -7.680 -5.192 1.00 0.00 C ATOM 867 CG LEU A 56 -4.551 -7.074 -4.701 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.634 -7.138 -3.182 1.00 0.00 C ATOM 869 CD2 LEU A 56 -4.694 -5.639 -5.184 1.00 0.00 C ATOM 0 HA LEU A 56 -3.183 -9.269 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.410 -7.103 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.182 -7.564 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.373 -7.658 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.577 -6.703 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.580 -8.177 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.805 -6.579 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.637 -5.226 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.867 -5.042 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.681 -5.619 -6.274 1.00 0.00 H new ATOM 881 N SER A 57 -4.217 -11.200 -5.087 1.00 0.00 N ATOM 882 CA SER A 57 -5.100 -12.167 -5.695 1.00 0.00 C ATOM 883 C SER A 57 -6.565 -11.758 -5.506 1.00 0.00 C ATOM 884 O SER A 57 -6.873 -10.909 -4.660 1.00 0.00 O ATOM 885 CB SER A 57 -4.831 -13.546 -5.087 1.00 0.00 C ATOM 886 OG SER A 57 -4.813 -13.481 -3.675 1.00 0.00 O ATOM 0 H SER A 57 -3.789 -11.518 -4.217 1.00 0.00 H new ATOM 0 HA SER A 57 -4.908 -12.208 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.599 -14.247 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.876 -13.928 -5.449 1.00 0.00 H new ATOM 0 HG SER A 57 -4.641 -14.374 -3.309 1.00 0.00 H new ATOM 892 N PRO A 58 -7.489 -12.341 -6.308 1.00 0.00 N ATOM 893 CA PRO A 58 -8.920 -12.042 -6.211 1.00 0.00 C ATOM 894 C PRO A 58 -9.455 -12.210 -4.799 1.00 0.00 C ATOM 895 O PRO A 58 -10.317 -11.448 -4.358 1.00 0.00 O ATOM 896 CB PRO A 58 -9.565 -13.062 -7.148 1.00 0.00 C ATOM 897 CG PRO A 58 -8.505 -13.380 -8.137 1.00 0.00 C ATOM 898 CD PRO A 58 -7.207 -13.312 -7.387 1.00 0.00 C ATOM 0 HA PRO A 58 -9.133 -11.006 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.883 -13.953 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.450 -12.651 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.656 -14.370 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.516 -12.669 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.921 -14.285 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.390 -12.977 -8.026 1.00 0.00 H new ATOM 906 N ILE A 59 -8.931 -13.195 -4.080 1.00 0.00 N ATOM 907 CA ILE A 59 -9.367 -13.450 -2.718 1.00 0.00 C ATOM 908 C ILE A 59 -8.925 -12.336 -1.785 1.00 0.00 C ATOM 909 O ILE A 59 -9.710 -11.862 -0.972 1.00 0.00 O ATOM 910 CB ILE A 59 -8.885 -14.833 -2.193 1.00 0.00 C ATOM 911 CG1 ILE A 59 -7.351 -14.915 -2.115 1.00 0.00 C ATOM 912 CG2 ILE A 59 -9.416 -15.921 -3.096 1.00 0.00 C ATOM 913 CD1 ILE A 59 -6.833 -16.244 -1.600 1.00 0.00 C ATOM 0 H ILE A 59 -8.206 -13.827 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.457 -13.474 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.269 -14.965 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.936 -14.734 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.987 -14.118 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.081 -16.892 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.506 -15.891 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.046 -15.766 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.743 -16.224 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.217 -16.419 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.166 -17.045 -2.260 1.00 0.00 H new ATOM 925 N GLU A 60 -7.673 -11.899 -1.927 1.00 0.00 N ATOM 926 CA GLU A 60 -7.159 -10.794 -1.140 1.00 0.00 C ATOM 927 C GLU A 60 -8.011 -9.578 -1.398 1.00 0.00 C ATOM 928 O GLU A 60 -8.436 -8.892 -0.476 1.00 0.00 O ATOM 929 CB GLU A 60 -5.704 -10.494 -1.508 1.00 0.00 C ATOM 930 CG GLU A 60 -4.725 -11.607 -1.174 1.00 0.00 C ATOM 931 CD GLU A 60 -4.661 -11.914 0.307 1.00 0.00 C ATOM 932 OE1 GLU A 60 -4.303 -11.009 1.093 1.00 0.00 O ATOM 933 OE2 GLU A 60 -4.938 -13.071 0.688 1.00 0.00 O ATOM 0 H GLU A 60 -7.001 -12.298 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.193 -11.061 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.648 -10.288 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.392 -9.586 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.011 -12.509 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.732 -11.327 -1.525 1.00 0.00 H new ATOM 940 N ARG A 61 -8.276 -9.331 -2.669 1.00 0.00 N ATOM 941 CA ARG A 61 -9.119 -8.223 -3.076 1.00 0.00 C ATOM 942 C ARG A 61 -10.475 -8.292 -2.390 1.00 0.00 C ATOM 943 O ARG A 61 -10.881 -7.366 -1.709 1.00 0.00 O ATOM 944 CB ARG A 61 -9.306 -8.216 -4.601 1.00 0.00 C ATOM 945 CG ARG A 61 -10.408 -7.277 -5.080 1.00 0.00 C ATOM 946 CD ARG A 61 -10.133 -5.849 -4.660 1.00 0.00 C ATOM 947 NE ARG A 61 -11.287 -4.974 -4.870 1.00 0.00 N ATOM 948 CZ ARG A 61 -11.214 -3.701 -5.267 1.00 0.00 C ATOM 949 NH1 ARG A 61 -10.054 -3.180 -5.647 1.00 0.00 N ATOM 950 NH2 ARG A 61 -12.312 -2.961 -5.315 1.00 0.00 N ATOM 0 H ARG A 61 -7.915 -9.889 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.623 -7.300 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.366 -7.929 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.533 -9.228 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.488 -7.330 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.366 -7.600 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.853 -5.830 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.282 -5.465 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.214 -5.365 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.210 -3.753 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.006 -2.207 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.211 -3.364 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.259 -1.988 -5.618 1.00 0.00 H new ATOM 964 N LEU A 62 -11.148 -9.394 -2.585 1.00 0.00 N ATOM 965 CA LEU A 62 -12.483 -9.610 -2.033 1.00 0.00 C ATOM 966 C LEU A 62 -12.517 -9.483 -0.515 1.00 0.00 C ATOM 967 O LEU A 62 -13.385 -8.802 0.034 1.00 0.00 O ATOM 968 CB LEU A 62 -13.016 -10.978 -2.426 1.00 0.00 C ATOM 969 CG LEU A 62 -14.385 -11.313 -1.850 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.481 -10.604 -2.621 1.00 0.00 C ATOM 971 CD2 LEU A 62 -14.613 -12.812 -1.820 1.00 0.00 C ATOM 0 H LEU A 62 -10.795 -10.179 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.115 -8.828 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.070 -11.034 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.304 -11.738 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.416 -10.956 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.450 -10.858 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.329 -9.526 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.453 -10.917 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.598 -13.022 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.555 -13.209 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.850 -13.284 -1.201 1.00 0.00 H new ATOM 983 N GLN A 63 -11.584 -10.136 0.158 1.00 0.00 N ATOM 984 CA GLN A 63 -11.560 -10.111 1.615 1.00 0.00 C ATOM 985 C GLN A 63 -11.347 -8.696 2.116 1.00 0.00 C ATOM 986 O GLN A 63 -12.029 -8.241 3.031 1.00 0.00 O ATOM 987 CB GLN A 63 -10.488 -11.050 2.161 1.00 0.00 C ATOM 988 CG GLN A 63 -10.758 -12.513 1.855 1.00 0.00 C ATOM 989 CD GLN A 63 -9.652 -13.427 2.330 1.00 0.00 C ATOM 990 OE1 GLN A 63 -8.987 -13.155 3.328 1.00 0.00 O ATOM 991 NE2 GLN A 63 -9.451 -14.519 1.621 1.00 0.00 N ATOM 0 H GLN A 63 -10.840 -10.685 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.525 -10.462 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.522 -10.770 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.416 -10.919 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.695 -12.810 2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.888 -12.636 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.026 -14.707 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.721 -15.177 1.894 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.424 -8.001 1.480 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.106 -6.633 1.834 1.00 0.00 C ATOM 1002 C LEU A 64 -11.256 -5.706 1.477 1.00 0.00 C ATOM 1003 O LEU A 64 -11.565 -4.777 2.224 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.809 -6.175 1.141 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.483 -6.484 1.873 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.366 -5.655 3.132 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.356 -7.964 2.206 1.00 0.00 C ATOM 0 H LEU A 64 -9.874 -8.369 0.704 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.950 -6.590 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.769 -6.638 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.869 -5.098 0.986 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.668 -6.222 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.426 -5.886 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.389 -4.596 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.198 -5.884 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.411 -8.142 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.182 -8.264 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.384 -8.548 1.286 1.00 0.00 H new ATOM 1019 N GLU A 65 -11.901 -5.968 0.343 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.008 -5.157 -0.108 1.00 0.00 C ATOM 1021 C GLU A 65 -14.153 -5.255 0.856 1.00 0.00 C ATOM 1022 O GLU A 65 -14.740 -4.248 1.246 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.437 -5.572 -1.522 1.00 0.00 C ATOM 1024 CG GLU A 65 -14.624 -4.801 -2.071 1.00 0.00 C ATOM 1025 CD GLU A 65 -14.872 -5.087 -3.535 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -14.452 -4.272 -4.384 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -15.477 -6.134 -3.852 1.00 0.00 O ATOM 0 H GLU A 65 -11.667 -6.743 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.687 -4.116 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.591 -5.442 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.681 -6.634 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.515 -5.056 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.453 -3.733 -1.936 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.438 -6.466 1.262 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.504 -6.728 2.210 1.00 0.00 C ATOM 1036 C ASP A 66 -15.268 -5.962 3.505 1.00 0.00 C ATOM 1037 O ASP A 66 -16.200 -5.419 4.106 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.616 -8.228 2.484 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.676 -8.567 3.510 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -17.876 -8.532 3.164 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.306 -8.897 4.663 1.00 0.00 O ATOM 0 H ASP A 66 -13.942 -7.300 0.949 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.444 -6.386 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.843 -8.746 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.652 -8.601 2.830 1.00 0.00 H new ATOM 1046 N VAL A 67 -14.010 -5.892 3.904 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.633 -5.172 5.115 1.00 0.00 C ATOM 1048 C VAL A 67 -13.893 -3.679 4.963 1.00 0.00 C ATOM 1049 O VAL A 67 -14.442 -3.051 5.858 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.142 -5.393 5.483 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.762 -4.593 6.723 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.860 -6.865 5.702 1.00 0.00 C ATOM 0 H VAL A 67 -13.230 -6.324 3.409 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.250 -5.572 5.920 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.535 -5.041 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.712 -4.765 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.922 -3.531 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.380 -4.909 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.809 -7.000 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.483 -7.238 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.084 -7.418 4.790 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.531 -3.125 3.811 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.683 -1.697 3.583 1.00 0.00 C ATOM 1064 C CYS A 68 -15.146 -1.330 3.436 1.00 0.00 C ATOM 1065 O CYS A 68 -15.568 -0.247 3.835 1.00 0.00 O ATOM 1066 CB CYS A 68 -12.895 -1.278 2.363 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.177 -1.825 2.398 1.00 0.00 S ATOM 0 H CYS A 68 -13.133 -3.641 3.026 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.290 -1.162 4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.378 -1.679 1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -12.921 -0.192 2.278 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.133 -3.123 2.332 1.00 0.00 H new ATOM 1073 N VAL A 69 -15.918 -2.239 2.860 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.356 -2.055 2.751 1.00 0.00 C ATOM 1075 C VAL A 69 -17.976 -1.923 4.151 1.00 0.00 C ATOM 1076 O VAL A 69 -18.930 -1.167 4.359 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.016 -3.236 1.987 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -19.528 -3.155 2.059 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -17.561 -3.248 0.536 1.00 0.00 C ATOM 0 H VAL A 69 -15.572 -3.112 2.461 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.540 -1.141 2.187 1.00 0.00 H new ATOM 0 HB VAL A 69 -17.701 -4.164 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -19.964 -3.994 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.845 -3.193 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.864 -2.219 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.032 -4.081 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -17.847 -2.311 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -16.478 -3.360 0.495 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.400 -2.639 5.109 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.877 -2.605 6.487 1.00 0.00 C ATOM 1091 C LYS A 70 -17.158 -1.535 7.314 1.00 0.00 C ATOM 1092 O LYS A 70 -17.293 -1.490 8.538 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.747 -3.983 7.140 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.708 -5.017 6.571 1.00 0.00 C ATOM 1095 CD LYS A 70 -20.160 -4.607 6.803 1.00 0.00 C ATOM 1096 CE LYS A 70 -21.130 -5.569 6.142 1.00 0.00 C ATOM 1097 NZ LYS A 70 -21.001 -6.946 6.673 1.00 0.00 N ATOM 0 H LYS A 70 -16.599 -3.252 4.957 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.933 -2.335 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.725 -4.341 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.922 -3.887 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.527 -5.136 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.522 -5.985 7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.360 -4.568 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.321 -3.602 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.150 -5.216 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.954 -5.578 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.768 -7.537 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.084 -7.344 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.060 -6.925 7.711 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.424 -0.669 6.639 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.733 0.422 7.296 1.00 0.00 C ATOM 1113 C ILE A 71 -16.554 1.694 7.177 1.00 0.00 C ATOM 1114 O ILE A 71 -17.107 1.995 6.115 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.310 0.660 6.705 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.367 -0.480 7.099 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.739 2.008 7.149 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.940 -0.291 6.623 1.00 0.00 C ATOM 0 H ILE A 71 -16.292 -0.702 5.628 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.612 0.149 8.344 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.400 0.679 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.367 -0.579 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.754 -1.415 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.746 2.142 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.393 2.810 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.670 2.033 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.335 -1.140 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.925 -0.223 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.533 0.626 7.050 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.656 2.420 8.272 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.390 3.676 8.293 1.00 0.00 C ATOM 1132 C HIS A 72 -16.706 4.697 7.393 1.00 0.00 C ATOM 1133 O HIS A 72 -15.486 4.858 7.452 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.496 4.231 9.717 1.00 0.00 C ATOM 1135 CG HIS A 72 -18.263 3.366 10.666 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.687 2.762 11.761 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.572 3.023 10.699 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.607 2.086 12.424 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.754 2.231 11.801 1.00 0.00 N ATOM 0 H HIS A 72 -16.238 2.162 9.166 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.397 3.483 7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.491 4.378 10.111 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.969 5.212 9.676 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -20.331 3.319 9.989 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.444 1.512 13.324 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.640 1.819 12.092 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.495 5.406 6.566 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.988 6.383 5.587 1.00 0.00 C ATOM 1149 C PRO A 73 -15.865 7.287 6.113 1.00 0.00 C ATOM 1150 O PRO A 73 -14.807 7.390 5.491 1.00 0.00 O ATOM 1151 CB PRO A 73 -18.225 7.211 5.266 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.351 6.249 5.396 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.972 5.305 6.509 1.00 0.00 C ATOM 0 HA PRO A 73 -16.533 5.880 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.334 8.048 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.174 7.631 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.282 6.768 5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.510 5.707 4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.430 5.596 7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.296 4.286 6.298 1.00 0.00 H new ATOM 1161 N SER A 74 -16.081 7.926 7.257 1.00 0.00 N ATOM 1162 CA SER A 74 -15.106 8.865 7.795 1.00 0.00 C ATOM 1163 C SER A 74 -13.886 8.162 8.398 1.00 0.00 C ATOM 1164 O SER A 74 -12.785 8.679 8.332 1.00 0.00 O ATOM 1165 CB SER A 74 -15.772 9.743 8.848 1.00 0.00 C ATOM 1166 OG SER A 74 -17.039 10.202 8.392 1.00 0.00 O ATOM 0 H SER A 74 -16.919 7.811 7.827 1.00 0.00 H new ATOM 0 HA SER A 74 -14.747 9.476 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.895 9.180 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.132 10.595 9.076 1.00 0.00 H new ATOM 0 HG SER A 74 -17.452 10.762 9.082 1.00 0.00 H new ATOM 1172 N TYR A 75 -14.092 6.972 8.960 1.00 0.00 N ATOM 1173 CA TYR A 75 -13.011 6.229 9.623 1.00 0.00 C ATOM 1174 C TYR A 75 -11.997 5.731 8.623 1.00 0.00 C ATOM 1175 O TYR A 75 -10.845 5.457 8.972 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.570 5.058 10.433 1.00 0.00 C ATOM 1177 CG TYR A 75 -14.292 5.472 11.694 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -15.520 6.109 11.637 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.745 5.218 12.945 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -16.184 6.484 12.784 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -14.404 5.591 14.100 1.00 0.00 C ATOM 1182 CZ TYR A 75 -15.624 6.224 14.012 1.00 0.00 C ATOM 1183 OH TYR A 75 -16.288 6.601 15.155 1.00 0.00 O ATOM 0 H TYR A 75 -14.995 6.498 8.972 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.511 6.917 10.304 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.255 4.489 9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.751 4.389 10.698 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.966 6.316 10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.789 4.721 13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -17.141 6.980 12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -13.966 5.388 15.066 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.760 6.345 15.940 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.430 5.607 7.387 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.564 5.194 6.311 1.00 0.00 C ATOM 1195 C CYS A 76 -10.436 6.198 6.154 1.00 0.00 C ATOM 1196 O CYS A 76 -9.286 5.825 5.979 1.00 0.00 O ATOM 1197 CB CYS A 76 -12.362 5.066 5.009 1.00 0.00 C ATOM 1198 SG CYS A 76 -11.420 4.429 3.605 1.00 0.00 S ATOM 0 H CYS A 76 -13.392 5.790 7.103 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.137 4.219 6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.215 4.410 5.185 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.762 6.045 4.746 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.473 5.281 2.625 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.794 7.476 6.214 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.820 8.563 6.131 1.00 0.00 C ATOM 1206 C GLY A 77 -8.599 8.330 7.001 1.00 0.00 C ATOM 1207 O GLY A 77 -7.510 8.087 6.477 1.00 0.00 O ATOM 0 H GLY A 77 -11.759 7.788 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.504 8.682 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.299 9.496 6.428 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.745 8.404 8.344 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.654 8.128 9.267 1.00 0.00 C ATOM 1213 C PRO A 78 -6.949 6.823 8.926 1.00 0.00 C ATOM 1214 O PRO A 78 -5.736 6.802 8.772 1.00 0.00 O ATOM 1215 CB PRO A 78 -8.353 8.012 10.621 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.557 8.869 10.494 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.976 8.793 9.050 1.00 0.00 C ATOM 0 HA PRO A 78 -6.884 8.898 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.623 6.979 10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.708 8.352 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.355 8.520 11.150 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.335 9.897 10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.770 8.061 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.356 9.750 8.693 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.725 5.731 8.828 1.00 0.00 N ATOM 1226 CA ALA A 79 -7.180 4.412 8.480 1.00 0.00 C ATOM 1227 C ALA A 79 -6.235 4.479 7.287 1.00 0.00 C ATOM 1228 O ALA A 79 -5.141 3.902 7.313 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.306 3.422 8.212 1.00 0.00 C ATOM 0 H ALA A 79 -8.733 5.738 8.985 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.600 4.066 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.883 2.451 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.925 3.325 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.917 3.781 7.384 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.639 5.196 6.262 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.833 5.330 5.073 1.00 0.00 C ATOM 1237 C ILE A 80 -4.586 6.170 5.337 1.00 0.00 C ATOM 1238 O ILE A 80 -3.471 5.778 4.980 1.00 0.00 O ATOM 1239 CB ILE A 80 -6.670 5.896 3.879 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -7.338 4.752 3.098 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.825 6.755 2.946 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -8.159 3.809 3.955 1.00 0.00 C ATOM 0 H ILE A 80 -7.527 5.697 6.230 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.496 4.333 4.789 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.444 6.537 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.982 5.180 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.566 4.179 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.446 7.127 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.412 7.597 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.011 6.156 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.595 3.032 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.518 3.350 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.956 4.366 4.448 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.783 7.306 5.967 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.687 8.204 6.328 1.00 0.00 C ATOM 1256 C LEU A 81 -2.660 7.495 7.193 1.00 0.00 C ATOM 1257 O LEU A 81 -1.455 7.685 7.022 1.00 0.00 O ATOM 1258 CB LEU A 81 -4.211 9.457 7.048 1.00 0.00 C ATOM 1259 CG LEU A 81 -4.601 10.648 6.153 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -3.393 11.156 5.384 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -5.721 10.274 5.193 1.00 0.00 C ATOM 0 H LEU A 81 -5.704 7.642 6.248 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.203 8.515 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.083 9.173 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.447 9.792 7.750 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.965 11.446 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.688 11.997 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.624 11.479 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.999 10.357 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.974 11.136 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.394 9.453 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.599 9.965 5.761 1.00 0.00 H new ATOM 1273 N ARG A 82 -3.137 6.663 8.107 1.00 0.00 N ATOM 1274 CA ARG A 82 -2.263 5.909 8.980 1.00 0.00 C ATOM 1275 C ARG A 82 -1.406 4.962 8.173 1.00 0.00 C ATOM 1276 O ARG A 82 -0.234 4.779 8.473 1.00 0.00 O ATOM 1277 CB ARG A 82 -3.056 5.135 10.040 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.845 6.018 10.995 1.00 0.00 C ATOM 1279 CD ARG A 82 -2.955 7.039 11.683 1.00 0.00 C ATOM 1280 NE ARG A 82 -3.707 7.874 12.615 1.00 0.00 N ATOM 1281 CZ ARG A 82 -3.225 8.969 13.207 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -2.002 9.406 12.920 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -3.977 9.642 14.067 1.00 0.00 N ATOM 0 H ARG A 82 -4.131 6.496 8.260 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.619 6.619 9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.745 4.455 9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.366 4.520 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.633 6.534 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.333 5.397 11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.158 6.524 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.479 7.670 10.933 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.667 7.602 12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.427 8.904 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.640 10.243 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.923 9.323 14.276 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.609 10.479 14.520 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.985 4.369 7.128 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.225 3.471 6.281 1.00 0.00 C ATOM 1299 C PHE A 83 -0.062 4.205 5.638 1.00 0.00 C ATOM 1300 O PHE A 83 1.047 3.689 5.566 1.00 0.00 O ATOM 1301 CB PHE A 83 -2.083 2.821 5.177 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.288 1.825 4.402 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.995 0.589 4.939 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -0.798 2.139 3.156 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.226 -0.309 4.240 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.036 1.242 2.451 1.00 0.00 C ATOM 1307 CZ PHE A 83 0.252 0.020 2.995 1.00 0.00 C ATOM 0 H PHE A 83 -2.960 4.495 6.857 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.858 2.675 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.949 2.333 5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.463 3.591 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.373 0.325 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.016 3.106 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.003 -1.273 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.335 1.500 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.856 -0.687 2.445 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.321 5.422 5.194 1.00 0.00 N ATOM 1318 CA ARG A 84 0.691 6.212 4.511 1.00 0.00 C ATOM 1319 C ARG A 84 1.785 6.603 5.480 1.00 0.00 C ATOM 1320 O ARG A 84 2.974 6.491 5.174 1.00 0.00 O ATOM 1321 CB ARG A 84 0.079 7.471 3.887 1.00 0.00 C ATOM 1322 CG ARG A 84 -1.291 7.269 3.255 1.00 0.00 C ATOM 1323 CD ARG A 84 -1.287 6.204 2.167 1.00 0.00 C ATOM 1324 NE ARG A 84 -2.636 5.976 1.645 1.00 0.00 N ATOM 1325 CZ ARG A 84 -3.108 4.801 1.224 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -2.300 3.756 1.098 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -4.378 4.695 0.857 1.00 0.00 N ATOM 0 H ARG A 84 -1.224 5.886 5.294 1.00 0.00 H new ATOM 0 HA ARG A 84 1.114 5.602 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.001 8.239 4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.762 7.851 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.005 6.989 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.634 8.213 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.627 6.512 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.887 5.273 2.567 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.264 6.778 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.309 3.847 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.669 2.862 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.990 5.510 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.743 3.799 0.535 1.00 0.00 H new ATOM 1341 N GLN A 85 1.373 7.048 6.653 1.00 0.00 N ATOM 1342 CA GLN A 85 2.302 7.445 7.685 1.00 0.00 C ATOM 1343 C GLN A 85 3.159 6.267 8.114 1.00 0.00 C ATOM 1344 O GLN A 85 4.375 6.403 8.290 1.00 0.00 O ATOM 1345 CB GLN A 85 1.551 8.019 8.889 1.00 0.00 C ATOM 1346 CG GLN A 85 0.787 9.298 8.586 1.00 0.00 C ATOM 1347 CD GLN A 85 -0.048 9.774 9.759 1.00 0.00 C ATOM 1348 OE1 GLN A 85 -0.528 8.972 10.566 1.00 0.00 O ATOM 1349 NE2 GLN A 85 -0.230 11.075 9.861 1.00 0.00 N ATOM 0 H GLN A 85 0.391 7.143 6.912 1.00 0.00 H new ATOM 0 HA GLN A 85 2.954 8.218 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.852 7.269 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.264 8.214 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.493 10.080 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.137 9.133 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.184 11.703 9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.785 11.454 10.628 1.00 0.00 H new ATOM 1358 N LEU A 86 2.536 5.102 8.251 1.00 0.00 N ATOM 1359 CA LEU A 86 3.265 3.919 8.704 1.00 0.00 C ATOM 1360 C LEU A 86 4.179 3.384 7.625 1.00 0.00 C ATOM 1361 O LEU A 86 5.299 2.985 7.901 1.00 0.00 O ATOM 1362 CB LEU A 86 2.317 2.823 9.203 1.00 0.00 C ATOM 1363 CG LEU A 86 1.989 2.837 10.708 1.00 0.00 C ATOM 1364 CD1 LEU A 86 3.250 2.654 11.539 1.00 0.00 C ATOM 1365 CD2 LEU A 86 1.268 4.116 11.107 1.00 0.00 C ATOM 0 H LEU A 86 1.546 4.950 8.059 1.00 0.00 H new ATOM 0 HA LEU A 86 3.883 4.232 9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.382 2.901 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.754 1.855 8.957 1.00 0.00 H new ATOM 0 HG LEU A 86 1.320 1.999 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.993 2.667 12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.714 1.700 11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.948 3.464 11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.051 4.094 12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.900 4.975 10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.335 4.197 10.549 1.00 0.00 H new ATOM 1377 N LEU A 87 3.706 3.404 6.393 1.00 0.00 N ATOM 1378 CA LEU A 87 4.490 2.940 5.259 1.00 0.00 C ATOM 1379 C LEU A 87 5.778 3.723 5.163 1.00 0.00 C ATOM 1380 O LEU A 87 6.830 3.191 4.841 1.00 0.00 O ATOM 1381 CB LEU A 87 3.676 3.075 3.967 1.00 0.00 C ATOM 1382 CG LEU A 87 4.419 2.762 2.674 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.483 2.107 1.686 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.009 4.031 2.067 1.00 0.00 C ATOM 0 H LEU A 87 2.774 3.740 6.149 1.00 0.00 H new ATOM 0 HA LEU A 87 4.737 1.888 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.811 2.415 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.295 4.094 3.906 1.00 0.00 H new ATOM 0 HG LEU A 87 5.236 2.078 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.022 1.887 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.096 1.180 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.654 2.780 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.535 3.783 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.207 4.737 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.707 4.481 2.773 1.00 0.00 H new ATOM 1396 N ALA A 88 5.668 4.983 5.455 1.00 0.00 N ATOM 1397 CA ALA A 88 6.792 5.889 5.440 1.00 0.00 C ATOM 1398 C ALA A 88 7.763 5.562 6.550 1.00 0.00 C ATOM 1399 O ALA A 88 8.971 5.742 6.406 1.00 0.00 O ATOM 1400 CB ALA A 88 6.313 7.319 5.554 1.00 0.00 C ATOM 0 H ALA A 88 4.786 5.424 5.715 1.00 0.00 H new ATOM 0 HA ALA A 88 7.315 5.772 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.170 7.992 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.657 7.551 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.766 7.446 6.488 1.00 0.00 H new ATOM 1406 N GLU A 89 7.234 5.085 7.652 1.00 0.00 N ATOM 1407 CA GLU A 89 8.063 4.701 8.782 1.00 0.00 C ATOM 1408 C GLU A 89 8.732 3.362 8.517 1.00 0.00 C ATOM 1409 O GLU A 89 9.889 3.149 8.878 1.00 0.00 O ATOM 1410 CB GLU A 89 7.247 4.642 10.076 1.00 0.00 C ATOM 1411 CG GLU A 89 6.657 5.980 10.501 1.00 0.00 C ATOM 1412 CD GLU A 89 7.706 7.060 10.664 1.00 0.00 C ATOM 1413 OE1 GLU A 89 8.578 6.924 11.549 1.00 0.00 O ATOM 1414 OE2 GLU A 89 7.656 8.062 9.915 1.00 0.00 O ATOM 0 H GLU A 89 6.233 4.952 7.795 1.00 0.00 H new ATOM 0 HA GLU A 89 8.834 5.462 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.437 3.924 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.883 4.267 10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.925 6.300 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.123 5.854 11.443 1.00 0.00 H new ATOM 1421 N GLN A 90 8.001 2.470 7.877 1.00 0.00 N ATOM 1422 CA GLN A 90 8.533 1.149 7.539 1.00 0.00 C ATOM 1423 C GLN A 90 9.411 1.204 6.301 1.00 0.00 C ATOM 1424 O GLN A 90 10.130 0.248 6.003 1.00 0.00 O ATOM 1425 CB GLN A 90 7.413 0.118 7.344 1.00 0.00 C ATOM 1426 CG GLN A 90 6.896 -0.498 8.640 1.00 0.00 C ATOM 1427 CD GLN A 90 6.084 0.462 9.483 1.00 0.00 C ATOM 1428 OE1 GLN A 90 4.864 0.532 9.358 1.00 0.00 O ATOM 1429 NE2 GLN A 90 6.746 1.198 10.346 1.00 0.00 N ATOM 0 H GLN A 90 7.039 2.628 7.578 1.00 0.00 H new ATOM 0 HA GLN A 90 9.145 0.832 8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.582 0.595 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.777 -0.679 6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.283 -1.367 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.743 -0.857 9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.760 1.110 10.419 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.247 1.857 10.943 1.00 0.00 H new ATOM 1438 N GLU A 91 9.341 2.333 5.585 1.00 0.00 N ATOM 1439 CA GLU A 91 10.126 2.567 4.366 1.00 0.00 C ATOM 1440 C GLU A 91 9.579 1.765 3.182 1.00 0.00 C ATOM 1441 O GLU A 91 8.865 0.774 3.364 1.00 0.00 O ATOM 1442 CB GLU A 91 11.617 2.260 4.586 1.00 0.00 C ATOM 1443 CG GLU A 91 12.308 3.210 5.541 1.00 0.00 C ATOM 1444 CD GLU A 91 13.784 2.929 5.650 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.173 2.083 6.483 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.564 3.544 4.895 1.00 0.00 O ATOM 0 H GLU A 91 8.735 3.114 5.836 1.00 0.00 H new ATOM 0 HA GLU A 91 10.033 3.626 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.716 1.243 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.129 2.291 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.159 4.235 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.850 3.129 6.527 1.00 0.00 H new ATOM 1453 N PRO A 92 9.880 2.209 1.944 1.00 0.00 N ATOM 1454 CA PRO A 92 9.442 1.521 0.734 1.00 0.00 C ATOM 1455 C PRO A 92 9.899 0.062 0.695 1.00 0.00 C ATOM 1456 O PRO A 92 11.099 -0.229 0.674 1.00 0.00 O ATOM 1457 CB PRO A 92 10.092 2.321 -0.405 1.00 0.00 C ATOM 1458 CG PRO A 92 11.142 3.153 0.247 1.00 0.00 C ATOM 1459 CD PRO A 92 10.647 3.423 1.631 1.00 0.00 C ATOM 0 HA PRO A 92 8.355 1.480 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.525 1.658 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.358 2.944 -0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.098 2.630 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.300 4.082 -0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.468 3.575 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.024 4.317 1.671 1.00 0.00 H new ATOM 1467 N GLU A 93 8.914 -0.828 0.624 1.00 0.00 N ATOM 1468 CA GLU A 93 9.097 -2.259 0.629 1.00 0.00 C ATOM 1469 C GLU A 93 7.755 -2.903 0.359 1.00 0.00 C ATOM 1470 O GLU A 93 6.942 -3.049 1.252 1.00 0.00 O ATOM 1471 CB GLU A 93 9.689 -2.745 1.964 1.00 0.00 C ATOM 1472 CG GLU A 93 11.214 -2.839 1.953 1.00 0.00 C ATOM 1473 CD GLU A 93 11.822 -2.955 3.330 1.00 0.00 C ATOM 1474 OE1 GLU A 93 12.456 -1.977 3.793 1.00 0.00 O ATOM 1475 OE2 GLU A 93 11.691 -4.024 3.957 1.00 0.00 O ATOM 0 H GLU A 93 7.934 -0.553 0.559 1.00 0.00 H new ATOM 0 HA GLU A 93 9.809 -2.542 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.380 -2.066 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.274 -3.724 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.512 -3.703 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.621 -1.957 1.458 1.00 0.00 H new ATOM 1482 N VAL A 94 7.524 -3.222 -0.909 1.00 0.00 N ATOM 1483 CA VAL A 94 6.267 -3.819 -1.393 1.00 0.00 C ATOM 1484 C VAL A 94 5.801 -4.975 -0.514 1.00 0.00 C ATOM 1485 O VAL A 94 4.600 -5.197 -0.323 1.00 0.00 O ATOM 1486 CB VAL A 94 6.411 -4.293 -2.860 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.247 -5.564 -2.977 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.059 -4.464 -3.507 1.00 0.00 C ATOM 0 H VAL A 94 8.211 -3.074 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 94 5.508 -3.038 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 94 6.949 -3.513 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.319 -5.857 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.246 -5.380 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.774 -6.364 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.188 -4.797 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.483 -5.206 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.528 -3.512 -3.498 1.00 0.00 H new ATOM 1498 N GLN A 95 6.760 -5.678 0.025 1.00 0.00 N ATOM 1499 CA GLN A 95 6.519 -6.793 0.911 1.00 0.00 C ATOM 1500 C GLN A 95 5.827 -6.309 2.186 1.00 0.00 C ATOM 1501 O GLN A 95 4.849 -6.908 2.653 1.00 0.00 O ATOM 1502 CB GLN A 95 7.851 -7.452 1.245 1.00 0.00 C ATOM 1503 CG GLN A 95 8.624 -7.918 0.016 1.00 0.00 C ATOM 1504 CD GLN A 95 10.137 -7.832 0.188 1.00 0.00 C ATOM 1505 OE1 GLN A 95 10.879 -8.655 -0.348 1.00 0.00 O ATOM 1506 NE2 GLN A 95 10.605 -6.816 0.903 1.00 0.00 N ATOM 0 H GLN A 95 7.749 -5.492 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 95 5.867 -7.519 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.466 -6.747 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.671 -8.307 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.349 -8.948 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.328 -7.314 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.959 -6.154 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.611 -6.697 1.023 1.00 0.00 H new ATOM 1515 N GLU A 96 6.305 -5.186 2.706 1.00 0.00 N ATOM 1516 CA GLU A 96 5.763 -4.621 3.911 1.00 0.00 C ATOM 1517 C GLU A 96 4.506 -3.872 3.599 1.00 0.00 C ATOM 1518 O GLU A 96 3.600 -3.831 4.400 1.00 0.00 O ATOM 1519 CB GLU A 96 6.779 -3.691 4.587 1.00 0.00 C ATOM 1520 CG GLU A 96 7.804 -4.408 5.448 1.00 0.00 C ATOM 1521 CD GLU A 96 7.240 -4.853 6.778 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.554 -4.214 7.803 1.00 0.00 O ATOM 1523 OE2 GLU A 96 6.474 -5.836 6.809 1.00 0.00 O ATOM 0 H GLU A 96 7.074 -4.653 2.300 1.00 0.00 H new ATOM 0 HA GLU A 96 5.536 -5.433 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.302 -3.122 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.241 -2.972 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.181 -5.277 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.653 -3.747 5.621 1.00 0.00 H new ATOM 1530 N VAL A 97 4.460 -3.295 2.412 1.00 0.00 N ATOM 1531 CA VAL A 97 3.312 -2.525 1.976 1.00 0.00 C ATOM 1532 C VAL A 97 2.040 -3.358 2.042 1.00 0.00 C ATOM 1533 O VAL A 97 1.088 -2.995 2.715 1.00 0.00 O ATOM 1534 CB VAL A 97 3.502 -1.977 0.537 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.251 -1.259 0.051 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.695 -1.045 0.482 1.00 0.00 C ATOM 0 H VAL A 97 5.214 -3.347 1.727 1.00 0.00 H new ATOM 0 HA VAL A 97 3.220 -1.679 2.657 1.00 0.00 H new ATOM 0 HB VAL A 97 3.683 -2.825 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.415 -0.886 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.410 -1.953 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.030 -0.423 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.816 -0.668 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.535 -0.209 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.594 -1.586 0.778 1.00 0.00 H new ATOM 1546 N SER A 98 2.046 -4.484 1.365 1.00 0.00 N ATOM 1547 CA SER A 98 0.889 -5.344 1.311 1.00 0.00 C ATOM 1548 C SER A 98 0.596 -5.968 2.670 1.00 0.00 C ATOM 1549 O SER A 98 -0.561 -6.097 3.071 1.00 0.00 O ATOM 1550 CB SER A 98 1.079 -6.426 0.240 1.00 0.00 C ATOM 1551 OG SER A 98 -0.093 -7.205 0.074 1.00 0.00 O ATOM 0 H SER A 98 2.850 -4.827 0.839 1.00 0.00 H new ATOM 0 HA SER A 98 0.027 -4.735 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.343 -5.958 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.911 -7.073 0.519 1.00 0.00 H new ATOM 0 HG SER A 98 0.060 -7.884 -0.616 1.00 0.00 H new ATOM 1557 N GLN A 99 1.639 -6.347 3.366 1.00 0.00 N ATOM 1558 CA GLN A 99 1.500 -6.970 4.682 1.00 0.00 C ATOM 1559 C GLN A 99 0.942 -5.979 5.699 1.00 0.00 C ATOM 1560 O GLN A 99 0.056 -6.308 6.476 1.00 0.00 O ATOM 1561 CB GLN A 99 2.843 -7.519 5.141 1.00 0.00 C ATOM 1562 CG GLN A 99 2.757 -8.447 6.333 1.00 0.00 C ATOM 1563 CD GLN A 99 4.098 -9.046 6.693 1.00 0.00 C ATOM 1564 OE1 GLN A 99 4.176 -10.173 7.176 1.00 0.00 O ATOM 1565 NE2 GLN A 99 5.157 -8.301 6.464 1.00 0.00 N ATOM 0 H GLN A 99 2.603 -6.239 3.051 1.00 0.00 H new ATOM 0 HA GLN A 99 0.793 -7.796 4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.308 -8.052 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.498 -6.684 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.365 -7.899 7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.050 -9.248 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.048 -7.370 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.087 -8.654 6.689 1.00 0.00 H new ATOM 1574 N LEU A 100 1.435 -4.761 5.638 1.00 0.00 N ATOM 1575 CA LEU A 100 1.008 -3.694 6.527 1.00 0.00 C ATOM 1576 C LEU A 100 -0.384 -3.284 6.152 1.00 0.00 C ATOM 1577 O LEU A 100 -1.181 -2.870 6.993 1.00 0.00 O ATOM 1578 CB LEU A 100 1.965 -2.499 6.417 1.00 0.00 C ATOM 1579 CG LEU A 100 1.577 -1.233 7.177 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.544 -1.488 8.671 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.542 -0.110 6.846 1.00 0.00 C ATOM 0 H LEU A 100 2.149 -4.478 4.967 1.00 0.00 H new ATOM 0 HA LEU A 100 1.021 -4.045 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.947 -2.817 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.069 -2.243 5.363 1.00 0.00 H new ATOM 0 HG LEU A 100 0.575 -0.936 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.265 -0.571 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.813 -2.266 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.530 -1.810 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.256 0.788 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.552 -0.403 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.511 0.092 5.775 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.680 -3.443 4.881 1.00 0.00 N ATOM 1594 CA PHE A 101 -1.980 -3.117 4.367 1.00 0.00 C ATOM 1595 C PHE A 101 -3.001 -4.078 4.917 1.00 0.00 C ATOM 1596 O PHE A 101 -4.105 -3.688 5.290 1.00 0.00 O ATOM 1597 CB PHE A 101 -1.985 -3.169 2.858 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.267 -2.708 2.253 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.682 -1.396 2.407 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.048 -3.574 1.518 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.855 -0.957 1.837 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.226 -3.144 0.947 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.628 -1.831 1.106 1.00 0.00 C ATOM 0 H PHE A 101 -0.027 -3.800 4.183 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.233 -2.103 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.170 -2.552 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.787 -4.192 2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.078 -0.709 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.734 -4.599 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.168 0.069 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.834 -3.831 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.549 -1.490 0.657 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.617 -5.335 5.001 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.496 -6.336 5.530 1.00 0.00 C ATOM 1615 C ARG A 102 -3.587 -6.150 7.026 1.00 0.00 C ATOM 1616 O ARG A 102 -4.656 -6.271 7.607 1.00 0.00 O ATOM 1617 CB ARG A 102 -2.991 -7.747 5.200 1.00 0.00 C ATOM 1618 CG ARG A 102 -3.912 -8.859 5.695 1.00 0.00 C ATOM 1619 CD ARG A 102 -3.298 -10.235 5.490 1.00 0.00 C ATOM 1620 NE ARG A 102 -3.131 -10.574 4.075 1.00 0.00 N ATOM 1621 CZ ARG A 102 -2.058 -11.182 3.566 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -1.045 -11.534 4.352 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -2.012 -11.462 2.278 1.00 0.00 N ATOM 0 H ARG A 102 -1.703 -5.679 4.708 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.481 -6.227 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.874 -7.838 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.003 -7.882 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.125 -8.710 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.864 -8.804 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.328 -10.273 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.929 -10.985 5.967 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.886 -10.329 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.084 -11.340 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.229 -11.998 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.795 -11.214 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.193 -11.927 1.886 1.00 0.00 H new ATOM 1637 N SER A 103 -2.452 -5.809 7.637 1.00 0.00 N ATOM 1638 CA SER A 103 -2.387 -5.617 9.080 1.00 0.00 C ATOM 1639 C SER A 103 -3.371 -4.549 9.553 1.00 0.00 C ATOM 1640 O SER A 103 -4.263 -4.833 10.349 1.00 0.00 O ATOM 1641 CB SER A 103 -0.966 -5.255 9.517 1.00 0.00 C ATOM 1642 OG SER A 103 -0.042 -6.280 9.170 1.00 0.00 O ATOM 0 H SER A 103 -1.567 -5.661 7.152 1.00 0.00 H new ATOM 0 HA SER A 103 -2.669 -6.562 9.544 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.666 -4.318 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.945 -5.093 10.595 1.00 0.00 H new ATOM 0 HG SER A 103 -0.050 -6.413 8.199 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.206 -3.333 9.054 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.079 -2.213 9.414 1.00 0.00 C ATOM 1650 C VAL A 104 -5.543 -2.532 9.164 1.00 0.00 C ATOM 1651 O VAL A 104 -6.399 -2.261 10.006 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.692 -0.918 8.648 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -4.628 0.232 9.007 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -2.247 -0.534 8.943 1.00 0.00 C ATOM 0 H VAL A 104 -2.469 -3.090 8.392 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.939 -2.046 10.482 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.791 -1.117 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.334 1.126 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.651 -0.036 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.568 0.429 10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.994 0.375 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.128 -0.361 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.585 -1.341 8.630 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.825 -3.110 8.024 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.193 -3.452 7.671 1.00 0.00 C ATOM 1666 C LEU A 105 -7.777 -4.514 8.596 1.00 0.00 C ATOM 1667 O LEU A 105 -8.965 -4.493 8.891 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.293 -3.883 6.215 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.574 -2.756 5.199 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -8.952 -2.159 5.425 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.508 -1.670 5.268 1.00 0.00 C ATOM 0 H LEU A 105 -5.130 -3.357 7.319 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.790 -2.549 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.361 -4.374 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.083 -4.629 6.130 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.544 -3.195 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.129 -1.367 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.708 -2.935 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.009 -1.746 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.735 -0.891 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.493 -1.238 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.533 -2.103 5.044 1.00 0.00 H new ATOM 1683 N GLN A 106 -6.951 -5.437 9.063 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.431 -6.446 10.001 1.00 0.00 C ATOM 1685 C GLN A 106 -7.587 -5.827 11.371 1.00 0.00 C ATOM 1686 O GLN A 106 -8.464 -6.202 12.148 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.493 -7.657 10.061 1.00 0.00 C ATOM 1688 CG GLN A 106 -6.355 -8.404 8.742 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.686 -8.838 8.166 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -8.175 -9.923 8.452 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.276 -7.994 7.339 1.00 0.00 N ATOM 0 H GLN A 106 -5.964 -5.511 8.816 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.399 -6.806 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.506 -7.323 10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.858 -8.348 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.844 -7.766 8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.727 -9.282 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.837 -7.099 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.171 -8.238 6.914 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.742 -4.859 11.639 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.771 -4.134 12.902 1.00 0.00 C ATOM 1702 C GLU A 107 -8.083 -3.342 13.030 1.00 0.00 C ATOM 1703 O GLU A 107 -8.830 -3.477 14.027 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.560 -3.193 12.997 1.00 0.00 C ATOM 1705 CG GLU A 107 -5.407 -2.499 14.342 1.00 0.00 C ATOM 1706 CD GLU A 107 -5.176 -3.472 15.477 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -4.008 -3.664 15.875 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -6.160 -4.046 15.984 1.00 0.00 O ATOM 0 H GLU A 107 -6.015 -4.548 10.995 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.720 -4.850 13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.655 -3.764 12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.642 -2.435 12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.572 -1.800 14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.303 -1.913 14.548 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.378 -2.536 12.014 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.600 -1.744 12.006 1.00 0.00 C ATOM 1717 C VAL A 108 -10.817 -2.643 11.938 1.00 0.00 C ATOM 1718 O VAL A 108 -11.876 -2.290 12.426 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.652 -0.731 10.827 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.468 0.201 10.867 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.723 -1.442 9.485 1.00 0.00 C ATOM 0 H VAL A 108 -7.789 -2.416 11.190 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.603 -1.177 12.937 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.561 -0.141 10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.527 0.900 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.473 0.755 11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.547 -0.377 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.758 -0.704 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.842 -2.072 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.620 -2.061 9.448 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.640 -3.821 11.354 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.726 -4.766 11.183 1.00 0.00 C ATOM 1733 C LEU A 109 -12.297 -5.146 12.538 1.00 0.00 C ATOM 1734 O LEU A 109 -13.483 -4.963 12.793 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.219 -6.028 10.437 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.279 -7.023 9.895 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -11.613 -8.048 8.994 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -13.010 -7.743 11.023 1.00 0.00 C ATOM 0 H LEU A 109 -9.744 -4.143 10.989 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.513 -4.303 10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.609 -5.698 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.561 -6.575 11.113 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.011 -6.446 9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.363 -8.743 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.135 -7.540 8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.862 -8.597 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.743 -8.430 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.292 -8.302 11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.518 -7.012 11.652 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.434 -5.646 13.406 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.847 -6.115 14.720 1.00 0.00 C ATOM 1752 C GLU A 110 -12.497 -5.003 15.536 1.00 0.00 C ATOM 1753 O GLU A 110 -13.527 -5.216 16.184 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.652 -6.688 15.480 1.00 0.00 C ATOM 1755 CG GLU A 110 -9.831 -7.682 14.677 1.00 0.00 C ATOM 1756 CD GLU A 110 -8.787 -8.387 15.512 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -7.888 -7.708 16.050 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -8.856 -9.630 15.629 1.00 0.00 O ATOM 0 H GLU A 110 -10.435 -5.738 13.223 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.589 -6.899 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.006 -5.868 15.794 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.010 -7.176 16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.497 -8.423 14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.341 -7.161 13.854 1.00 0.00 H new ATOM 1765 N ARG A 111 -11.919 -3.812 15.483 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.428 -2.703 16.286 1.00 0.00 C ATOM 1767 C ARG A 111 -13.708 -2.111 15.695 1.00 0.00 C ATOM 1768 O ARG A 111 -14.609 -1.696 16.425 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.371 -1.611 16.429 1.00 0.00 C ATOM 1770 CG ARG A 111 -11.824 -0.441 17.281 1.00 0.00 C ATOM 1771 CD ARG A 111 -10.767 0.641 17.366 1.00 0.00 C ATOM 1772 NE ARG A 111 -11.216 1.767 18.186 1.00 0.00 N ATOM 1773 CZ ARG A 111 -10.488 2.849 18.446 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -9.273 2.976 17.927 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -10.977 3.807 19.225 1.00 0.00 N ATOM 0 H ARG A 111 -11.110 -3.587 14.903 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.666 -3.104 17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.471 -2.042 16.867 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.100 -1.246 15.438 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.740 -0.022 16.864 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.063 -0.794 18.284 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.852 0.225 17.788 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.524 0.994 16.364 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.153 1.718 18.586 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.896 2.243 17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.717 3.807 18.128 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.911 3.713 19.624 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.419 4.637 19.424 1.00 0.00 H new ATOM 1789 N MET A 112 -13.800 -2.111 14.386 1.00 0.00 N ATOM 1790 CA MET A 112 -14.926 -1.479 13.724 1.00 0.00 C ATOM 1791 C MET A 112 -16.120 -2.402 13.670 1.00 0.00 C ATOM 1792 O MET A 112 -17.262 -1.964 13.815 1.00 0.00 O ATOM 1793 CB MET A 112 -14.546 -0.986 12.337 1.00 0.00 C ATOM 1794 CG MET A 112 -15.448 0.118 11.832 1.00 0.00 C ATOM 1795 SD MET A 112 -14.808 0.925 10.352 1.00 0.00 S ATOM 1796 CE MET A 112 -13.192 1.459 10.916 1.00 0.00 C ATOM 0 H MET A 112 -13.117 -2.537 13.759 1.00 0.00 H new ATOM 0 HA MET A 112 -15.209 -0.609 14.316 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.517 -0.627 12.355 1.00 0.00 H new ATOM 0 HB3 MET A 112 -14.580 -1.822 11.639 1.00 0.00 H new ATOM 0 HG2 MET A 112 -16.434 -0.295 11.617 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.578 0.862 12.618 1.00 0.00 H new ATOM 0 HE1 MET A 112 -12.772 2.166 10.200 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.287 1.941 11.889 1.00 0.00 H new ATOM 0 HE3 MET A 112 -12.533 0.595 11.002 1.00 0.00 H new ATOM 1806 N LYS A 113 -15.855 -3.676 13.481 1.00 0.00 N ATOM 1807 CA LYS A 113 -16.909 -4.677 13.454 1.00 0.00 C ATOM 1808 C LYS A 113 -17.587 -4.749 14.811 1.00 0.00 C ATOM 1809 O LYS A 113 -18.817 -4.762 14.903 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.350 -6.051 13.069 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.375 -7.175 13.130 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.769 -8.503 12.715 1.00 0.00 C ATOM 1813 CE LYS A 113 -17.745 -9.648 12.928 1.00 0.00 C ATOM 1814 NZ LYS A 113 -18.027 -9.880 14.369 1.00 0.00 N ATOM 0 H LYS A 113 -14.916 -4.049 13.343 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.642 -4.386 12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.945 -5.997 12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.520 -6.293 13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.770 -7.255 14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.216 -6.938 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -16.479 -8.460 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -15.861 -8.686 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -18.677 -9.431 12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -17.338 -10.558 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -18.528 -10.784 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -17.132 -9.911 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -18.619 -9.108 14.736 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.771 -4.768 15.869 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.285 -4.815 17.226 1.00 0.00 C ATOM 1830 C GLN A 114 -18.136 -3.584 17.511 1.00 0.00 C ATOM 1831 O GLN A 114 -19.226 -3.691 18.064 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.140 -4.912 18.241 1.00 0.00 C ATOM 1833 CG GLN A 114 -16.608 -5.154 19.670 1.00 0.00 C ATOM 1834 CD GLN A 114 -17.380 -6.455 19.814 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -17.125 -7.426 19.101 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -18.331 -6.482 20.727 1.00 0.00 N ATOM 0 H GLN A 114 -15.753 -4.751 15.804 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.906 -5.705 17.324 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.471 -5.720 17.945 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.559 -3.990 18.209 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.744 -5.172 20.334 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -17.238 -4.324 19.989 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.513 -5.657 21.299 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.885 -7.328 20.862 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.628 -2.415 17.116 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.349 -1.160 17.292 1.00 0.00 C ATOM 1847 C GLU A 115 -19.703 -1.218 16.576 1.00 0.00 C ATOM 1848 O GLU A 115 -20.721 -0.764 17.104 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.510 0.012 16.755 1.00 0.00 C ATOM 1850 CG GLU A 115 -18.100 1.391 17.035 1.00 0.00 C ATOM 1851 CD GLU A 115 -18.149 1.721 18.515 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -17.329 2.539 18.977 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -19.007 1.167 19.222 1.00 0.00 O ATOM 0 H GLU A 115 -16.716 -2.315 16.671 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.527 -1.005 18.356 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.514 -0.039 17.194 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.390 -0.106 15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.507 2.146 16.519 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.108 1.440 16.623 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.709 -1.816 15.387 1.00 0.00 N ATOM 1861 CA GLU A 116 -20.920 -1.935 14.589 1.00 0.00 C ATOM 1862 C GLU A 116 -21.959 -2.807 15.281 1.00 0.00 C ATOM 1863 O GLU A 116 -23.030 -2.326 15.658 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.600 -2.509 13.203 1.00 0.00 C ATOM 1865 CG GLU A 116 -20.297 -1.459 12.150 1.00 0.00 C ATOM 1866 CD GLU A 116 -21.507 -0.607 11.826 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -22.338 -1.032 11.000 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.635 0.491 12.399 1.00 0.00 O ATOM 0 H GLU A 116 -18.881 -2.227 14.955 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.335 -0.934 14.474 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.745 -3.179 13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -21.445 -3.111 12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.487 -0.819 12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -19.946 -1.949 11.242 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.635 -4.079 15.459 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.561 -5.030 16.071 1.00 0.00 C ATOM 1877 C GLU A 117 -23.019 -4.591 17.468 1.00 0.00 C ATOM 1878 O GLU A 117 -24.178 -4.800 17.837 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.962 -6.443 16.103 1.00 0.00 C ATOM 1880 CG GLU A 117 -20.654 -6.557 16.863 1.00 0.00 C ATOM 1881 CD GLU A 117 -20.078 -7.951 16.799 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -20.557 -8.829 17.549 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -19.148 -8.177 16.000 1.00 0.00 O ATOM 0 H GLU A 117 -20.737 -4.480 15.189 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.451 -5.050 15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -22.688 -7.121 16.551 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.802 -6.779 15.078 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -19.934 -5.849 16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.815 -6.280 17.905 1.00 0.00 H new ATOM 1890 N ALA A 118 -22.129 -3.955 18.220 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.455 -3.512 19.570 1.00 0.00 C ATOM 1892 C ALA A 118 -23.558 -2.456 19.573 1.00 0.00 C ATOM 1893 O ALA A 118 -24.519 -2.559 20.337 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.217 -2.984 20.280 1.00 0.00 C ATOM 0 H ALA A 118 -21.179 -3.735 17.920 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.828 -4.381 20.112 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.485 -2.659 21.285 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.468 -3.774 20.341 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.810 -2.140 19.723 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.451 -1.464 18.687 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.429 -0.380 18.685 1.00 0.00 C ATOM 1902 C HIS A 119 -25.742 -0.819 18.042 1.00 0.00 C ATOM 1903 O HIS A 119 -26.795 -0.229 18.298 1.00 0.00 O ATOM 1904 CB HIS A 119 -23.881 0.916 18.030 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.822 0.919 16.528 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -24.932 1.112 15.730 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.781 0.783 15.681 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -24.570 1.094 14.462 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -23.272 0.898 14.408 1.00 0.00 N ATOM 0 H HIS A 119 -22.718 -1.390 17.981 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.631 -0.138 19.729 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -24.501 1.753 18.351 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -22.877 1.097 18.414 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.750 0.614 15.956 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -25.227 1.219 13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -22.718 0.841 13.553 1.00 0.00 H new