USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HE2:sc= -2.44 K(o=-5.7,f=-6.6) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -3.26! C(o=-5.7!,f=-6.6!) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0072 (180deg=-0.117) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 1.59 K(o=1.6,f=-10!) USER MOD Single : A 15 THR OG1 : rot -74:sc= 0.461 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0527) USER MOD Single : A 31 SER OG : rot -126:sc= -1.3! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 111:sc= 1.84 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -10:sc= 0.991! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -0.0287 (180deg=-0.286) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.128 -4.090 -1.627 1.00 0.00 N ATOM 30 CA PHE A 3 2.923 -5.399 -1.018 1.00 0.00 C ATOM 31 C PHE A 3 4.168 -6.268 -1.167 1.00 0.00 C ATOM 32 O PHE A 3 4.983 -6.058 -2.066 1.00 0.00 O ATOM 33 CB PHE A 3 1.720 -6.098 -1.653 1.00 0.00 C ATOM 34 CG PHE A 3 1.105 -7.150 -0.775 1.00 0.00 C ATOM 35 CD1 PHE A 3 1.568 -8.455 -0.807 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.063 -6.833 0.083 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.004 -9.425 0.001 1.00 0.00 C ATOM 38 CE2 PHE A 3 -0.503 -7.799 0.893 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.033 -9.097 0.851 1.00 0.00 C ATOM 0 HA PHE A 3 2.729 -5.252 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.964 -5.352 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.030 -6.556 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.379 -8.718 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.310 -5.820 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.375 -10.439 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.313 -7.539 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.476 -9.854 1.482 1.00 0.00 H new ATOM 49 N LYS A 4 4.309 -7.246 -0.279 1.00 0.00 N ATOM 50 CA LYS A 4 5.453 -8.150 -0.310 1.00 0.00 C ATOM 51 C LYS A 4 5.051 -9.552 0.134 1.00 0.00 C ATOM 52 O LYS A 4 4.159 -9.719 0.967 1.00 0.00 O ATOM 53 CB LYS A 4 6.572 -7.620 0.590 1.00 0.00 C ATOM 54 CG LYS A 4 7.629 -6.826 -0.158 1.00 0.00 C ATOM 55 CD LYS A 4 8.378 -7.695 -1.154 1.00 0.00 C ATOM 56 CE LYS A 4 9.828 -7.256 -1.298 1.00 0.00 C ATOM 57 NZ LYS A 4 9.937 -5.824 -1.691 1.00 0.00 N ATOM 0 H LYS A 4 3.645 -7.433 0.472 1.00 0.00 H new ATOM 0 HA LYS A 4 5.815 -8.203 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.136 -6.989 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.050 -8.460 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.158 -5.994 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.334 -6.396 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.342 -8.735 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.884 -7.646 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.351 -7.415 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.323 -7.876 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.925 -5.603 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.335 -5.645 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.627 -5.223 -0.901 1.00 0.00 H new ATOM 71 N PHE A 5 5.715 -10.558 -0.425 1.00 0.00 N ATOM 72 CA PHE A 5 5.427 -11.947 -0.086 1.00 0.00 C ATOM 73 C PHE A 5 5.518 -12.169 1.421 1.00 0.00 C ATOM 74 O PHE A 5 6.590 -12.054 2.012 1.00 0.00 O ATOM 75 CB PHE A 5 6.397 -12.883 -0.811 1.00 0.00 C ATOM 76 CG PHE A 5 6.533 -12.586 -2.277 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.445 -12.145 -3.012 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.750 -12.749 -2.919 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.568 -11.870 -4.362 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.879 -12.476 -4.268 1.00 0.00 C ATOM 81 CZ PHE A 5 6.786 -12.037 -4.990 1.00 0.00 C ATOM 0 H PHE A 5 6.456 -10.438 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 5 4.410 -12.170 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.378 -12.811 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.058 -13.912 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.490 -12.014 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.607 -13.093 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.713 -11.525 -4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.833 -12.606 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.884 -11.825 -6.044 1.00 0.00 H new ATOM 91 N GLY A 6 4.383 -12.488 2.036 1.00 0.00 N ATOM 92 CA GLY A 6 4.356 -12.721 3.468 1.00 0.00 C ATOM 93 C GLY A 6 5.229 -13.889 3.883 1.00 0.00 C ATOM 94 O GLY A 6 5.817 -14.565 3.038 1.00 0.00 O ATOM 0 H GLY A 6 3.482 -12.589 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.689 -11.821 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.330 -12.909 3.783 1.00 0.00 H new ATOM 98 N LYS A 7 5.315 -14.127 5.187 1.00 0.00 N ATOM 99 CA LYS A 7 6.123 -15.220 5.713 1.00 0.00 C ATOM 100 C LYS A 7 5.786 -16.533 5.013 1.00 0.00 C ATOM 101 O LYS A 7 6.665 -17.354 4.756 1.00 0.00 O ATOM 102 CB LYS A 7 5.903 -15.364 7.221 1.00 0.00 C ATOM 103 CG LYS A 7 7.069 -16.013 7.947 1.00 0.00 C ATOM 104 CD LYS A 7 6.926 -17.525 7.992 1.00 0.00 C ATOM 105 CE LYS A 7 6.074 -17.969 9.171 1.00 0.00 C ATOM 106 NZ LYS A 7 6.800 -17.831 10.464 1.00 0.00 N ATOM 0 H LYS A 7 4.835 -13.577 5.899 1.00 0.00 H new ATOM 0 HA LYS A 7 7.171 -14.987 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.723 -14.378 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.004 -15.956 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.002 -15.750 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.129 -15.622 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.476 -17.877 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.913 -17.983 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.160 -17.375 9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.775 -19.008 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.292 -18.355 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.761 -18.216 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.855 -16.826 10.726 1.00 0.00 H new ATOM 120 N ASN A 8 4.507 -16.722 4.704 1.00 0.00 N ATOM 121 CA ASN A 8 4.054 -17.934 4.032 1.00 0.00 C ATOM 122 C ASN A 8 4.366 -17.877 2.539 1.00 0.00 C ATOM 123 O ASN A 8 4.858 -18.846 1.960 1.00 0.00 O ATOM 124 CB ASN A 8 2.551 -18.128 4.243 1.00 0.00 C ATOM 125 CG ASN A 8 2.204 -18.423 5.689 1.00 0.00 C ATOM 126 OD1 ASN A 8 2.398 -19.540 6.170 1.00 0.00 O ATOM 127 ND2 ASN A 8 1.687 -17.421 6.390 1.00 0.00 N ATOM 0 H ASN A 8 3.766 -16.051 4.908 1.00 0.00 H new ATOM 0 HA ASN A 8 4.587 -18.780 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.023 -17.230 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.201 -18.947 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.433 -17.560 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.544 -16.512 5.951 1.00 0.00 H new ATOM 134 N SER A 9 4.077 -16.736 1.923 1.00 0.00 N ATOM 135 CA SER A 9 4.323 -16.553 0.497 1.00 0.00 C ATOM 136 C SER A 9 5.793 -16.795 0.165 1.00 0.00 C ATOM 137 O SER A 9 6.118 -17.608 -0.699 1.00 0.00 O ATOM 138 CB SER A 9 3.916 -15.143 0.064 1.00 0.00 C ATOM 139 OG SER A 9 2.567 -14.874 0.406 1.00 0.00 O ATOM 0 H SER A 9 3.672 -15.924 2.389 1.00 0.00 H new ATOM 0 HA SER A 9 3.720 -17.280 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.568 -14.411 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.050 -15.037 -1.013 1.00 0.00 H new ATOM 0 HG SER A 9 2.332 -13.967 0.120 1.00 0.00 H new ATOM 145 N GLU A 10 6.675 -16.081 0.857 1.00 0.00 N ATOM 146 CA GLU A 10 8.110 -16.217 0.635 1.00 0.00 C ATOM 147 C GLU A 10 8.533 -17.682 0.693 1.00 0.00 C ATOM 148 O GLU A 10 9.419 -18.115 -0.044 1.00 0.00 O ATOM 149 CB GLU A 10 8.888 -15.409 1.675 1.00 0.00 C ATOM 150 CG GLU A 10 8.715 -15.917 3.096 1.00 0.00 C ATOM 151 CD GLU A 10 9.519 -15.119 4.103 1.00 0.00 C ATOM 152 OE1 GLU A 10 9.639 -13.888 3.927 1.00 0.00 O ATOM 153 OE2 GLU A 10 10.029 -15.725 5.069 1.00 0.00 O ATOM 0 H GLU A 10 6.421 -15.403 1.576 1.00 0.00 H new ATOM 0 HA GLU A 10 8.336 -15.830 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.947 -15.427 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.567 -14.368 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.660 -15.877 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.017 -16.963 3.143 1.00 0.00 H new ATOM 160 N LYS A 11 7.893 -18.442 1.576 1.00 0.00 N ATOM 161 CA LYS A 11 8.200 -19.859 1.732 1.00 0.00 C ATOM 162 C LYS A 11 7.610 -20.673 0.585 1.00 0.00 C ATOM 163 O LYS A 11 8.175 -21.688 0.179 1.00 0.00 O ATOM 164 CB LYS A 11 7.662 -20.374 3.068 1.00 0.00 C ATOM 165 CG LYS A 11 7.717 -21.886 3.204 1.00 0.00 C ATOM 166 CD LYS A 11 6.358 -22.519 2.956 1.00 0.00 C ATOM 167 CE LYS A 11 6.396 -23.477 1.776 1.00 0.00 C ATOM 168 NZ LYS A 11 5.260 -24.440 1.806 1.00 0.00 N ATOM 0 H LYS A 11 7.158 -18.100 2.195 1.00 0.00 H new ATOM 0 HA LYS A 11 9.284 -19.975 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.235 -19.924 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.630 -20.044 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.442 -22.290 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.065 -22.150 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.036 -23.054 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.621 -21.738 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.366 -22.909 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.338 -24.026 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.322 -25.076 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.303 -25.000 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.361 -23.918 1.772 1.00 0.00 H new ATOM 182 N GLN A 12 6.472 -20.220 0.068 1.00 0.00 N ATOM 183 CA GLN A 12 5.807 -20.908 -1.032 1.00 0.00 C ATOM 184 C GLN A 12 6.671 -20.886 -2.289 1.00 0.00 C ATOM 185 O GLN A 12 6.889 -21.920 -2.923 1.00 0.00 O ATOM 186 CB GLN A 12 4.451 -20.261 -1.320 1.00 0.00 C ATOM 187 CG GLN A 12 3.436 -20.454 -0.205 1.00 0.00 C ATOM 188 CD GLN A 12 2.562 -21.674 -0.416 1.00 0.00 C ATOM 189 OE1 GLN A 12 2.625 -22.324 -1.460 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.740 -21.993 0.577 1.00 0.00 N ATOM 0 H GLN A 12 5.992 -19.381 0.393 1.00 0.00 H new ATOM 0 HA GLN A 12 5.652 -21.946 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.595 -19.194 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.048 -20.677 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.960 -20.548 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.805 -19.568 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.720 -21.426 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.128 -22.805 0.492 1.00 0.00 H new ATOM 199 N LEU A 13 7.160 -19.704 -2.645 1.00 0.00 N ATOM 200 CA LEU A 13 8.000 -19.547 -3.827 1.00 0.00 C ATOM 201 C LEU A 13 9.405 -20.083 -3.571 1.00 0.00 C ATOM 202 O LEU A 13 10.101 -20.495 -4.499 1.00 0.00 O ATOM 203 CB LEU A 13 8.071 -18.075 -4.236 1.00 0.00 C ATOM 204 CG LEU A 13 6.757 -17.443 -4.697 1.00 0.00 C ATOM 205 CD1 LEU A 13 6.015 -18.381 -5.637 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.888 -17.086 -3.501 1.00 0.00 C ATOM 0 H LEU A 13 6.989 -18.839 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 13 7.553 -20.122 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.450 -17.501 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.800 -17.977 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 13 6.988 -16.526 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.082 -17.915 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.634 -18.586 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.796 -19.315 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.957 -16.637 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.665 -17.988 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.418 -16.376 -2.865 1.00 0.00 H new ATOM 218 N ALA A 14 9.814 -20.077 -2.307 1.00 0.00 N ATOM 219 CA ALA A 14 11.134 -20.567 -1.929 1.00 0.00 C ATOM 220 C ALA A 14 11.185 -22.091 -1.964 1.00 0.00 C ATOM 221 O ALA A 14 12.259 -22.689 -1.890 1.00 0.00 O ATOM 222 CB ALA A 14 11.510 -20.056 -0.545 1.00 0.00 C ATOM 0 H ALA A 14 9.250 -19.738 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 14 11.856 -20.189 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.498 -20.429 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.523 -18.966 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.778 -20.406 0.183 1.00 0.00 H new ATOM 228 N THR A 15 10.017 -22.715 -2.077 1.00 0.00 N ATOM 229 CA THR A 15 9.928 -24.169 -2.120 1.00 0.00 C ATOM 230 C THR A 15 9.733 -24.666 -3.548 1.00 0.00 C ATOM 231 O THR A 15 9.689 -25.871 -3.796 1.00 0.00 O ATOM 232 CB THR A 15 8.771 -24.687 -1.245 1.00 0.00 C ATOM 233 OG1 THR A 15 7.678 -23.763 -1.280 1.00 0.00 O ATOM 234 CG2 THR A 15 9.227 -24.888 0.192 1.00 0.00 C ATOM 0 H THR A 15 9.119 -22.236 -2.140 1.00 0.00 H new ATOM 0 HA THR A 15 10.870 -24.555 -1.730 1.00 0.00 H new ATOM 0 HB THR A 15 8.446 -25.648 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.901 -22.972 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.393 -25.254 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.039 -25.615 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.577 -23.939 0.599 1.00 0.00 H new ATOM 242 N VAL A 16 9.618 -23.730 -4.484 1.00 0.00 N ATOM 243 CA VAL A 16 9.430 -24.073 -5.889 1.00 0.00 C ATOM 244 C VAL A 16 10.670 -24.751 -6.460 1.00 0.00 C ATOM 245 O VAL A 16 11.798 -24.406 -6.107 1.00 0.00 O ATOM 246 CB VAL A 16 9.105 -22.826 -6.733 1.00 0.00 C ATOM 247 CG1 VAL A 16 10.380 -22.078 -7.093 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.335 -23.216 -7.985 1.00 0.00 C ATOM 0 H VAL A 16 9.652 -22.728 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 16 8.588 -24.764 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 16 8.477 -22.161 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.131 -21.200 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.888 -21.765 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.036 -22.732 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.114 -22.323 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.936 -23.901 -8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.403 -23.704 -7.701 1.00 0.00 H new ATOM 258 N LYS A 17 10.455 -25.718 -7.345 1.00 0.00 N ATOM 259 CA LYS A 17 11.554 -26.445 -7.969 1.00 0.00 C ATOM 260 C LYS A 17 12.274 -25.571 -8.990 1.00 0.00 C ATOM 261 O LYS A 17 13.469 -25.295 -8.876 1.00 0.00 O ATOM 262 CB LYS A 17 11.035 -27.716 -8.644 1.00 0.00 C ATOM 263 CG LYS A 17 11.626 -28.993 -8.075 1.00 0.00 C ATOM 264 CD LYS A 17 12.123 -29.917 -9.174 1.00 0.00 C ATOM 265 CE LYS A 17 11.670 -31.350 -8.945 1.00 0.00 C ATOM 266 NZ LYS A 17 12.540 -32.057 -7.965 1.00 0.00 N ATOM 0 H LYS A 17 9.528 -26.017 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 17 12.263 -26.720 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.950 -27.752 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.256 -27.667 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.450 -28.747 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.874 -29.508 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.755 -29.568 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.212 -29.881 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.641 -31.352 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.678 -31.889 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.198 -33.031 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.517 -32.077 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.513 -31.557 -7.053 1.00 0.00 H new ATOM 280 N PRO A 18 11.532 -25.122 -10.014 1.00 0.00 N ATOM 281 CA PRO A 18 12.079 -24.271 -11.075 1.00 0.00 C ATOM 282 C PRO A 18 12.417 -22.870 -10.577 1.00 0.00 C ATOM 283 O PRO A 18 12.501 -22.633 -9.373 1.00 0.00 O ATOM 284 CB PRO A 18 10.948 -24.215 -12.104 1.00 0.00 C ATOM 285 CG PRO A 18 9.708 -24.469 -11.318 1.00 0.00 C ATOM 286 CD PRO A 18 10.103 -25.411 -10.215 1.00 0.00 C ATOM 0 HA PRO A 18 13.015 -24.665 -11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.911 -23.245 -12.599 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.084 -24.965 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.306 -23.541 -10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.931 -24.906 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.526 -25.232 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.939 -26.451 -10.497 1.00 0.00 H new ATOM 294 N GLU A 19 12.608 -21.945 -11.513 1.00 0.00 N ATOM 295 CA GLU A 19 12.937 -20.567 -11.168 1.00 0.00 C ATOM 296 C GLU A 19 11.797 -19.625 -11.545 1.00 0.00 C ATOM 297 O GLU A 19 11.984 -18.411 -11.637 1.00 0.00 O ATOM 298 CB GLU A 19 14.225 -20.134 -11.872 1.00 0.00 C ATOM 299 CG GLU A 19 14.307 -20.585 -13.320 1.00 0.00 C ATOM 300 CD GLU A 19 14.909 -21.969 -13.467 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.247 -22.583 -12.433 1.00 0.00 O ATOM 302 OE2 GLU A 19 15.041 -22.439 -14.617 1.00 0.00 O ATOM 0 H GLU A 19 12.541 -22.125 -12.515 1.00 0.00 H new ATOM 0 HA GLU A 19 13.087 -20.516 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.303 -19.047 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.080 -20.534 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.308 -20.579 -13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.905 -19.871 -13.886 1.00 0.00 H new ATOM 309 N LEU A 20 10.616 -20.193 -11.763 1.00 0.00 N ATOM 310 CA LEU A 20 9.445 -19.405 -12.131 1.00 0.00 C ATOM 311 C LEU A 20 9.219 -18.269 -11.139 1.00 0.00 C ATOM 312 O LEU A 20 8.763 -17.188 -11.512 1.00 0.00 O ATOM 313 CB LEU A 20 8.204 -20.298 -12.193 1.00 0.00 C ATOM 314 CG LEU A 20 7.625 -20.735 -10.847 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.623 -19.710 -10.339 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.974 -22.105 -10.966 1.00 0.00 C ATOM 0 H LEU A 20 10.444 -21.196 -11.691 1.00 0.00 H new ATOM 0 HA LEU A 20 9.624 -18.972 -13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.427 -19.769 -12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.452 -21.191 -12.767 1.00 0.00 H new ATOM 0 HG LEU A 20 8.441 -20.803 -10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.221 -20.038 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.119 -18.747 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.810 -19.609 -11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.567 -22.400 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.169 -22.063 -11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.718 -22.835 -11.285 1.00 0.00 H new ATOM 328 N GLN A 21 9.543 -18.521 -9.875 1.00 0.00 N ATOM 329 CA GLN A 21 9.377 -17.518 -8.829 1.00 0.00 C ATOM 330 C GLN A 21 10.173 -16.258 -9.152 1.00 0.00 C ATOM 331 O GLN A 21 9.793 -15.153 -8.763 1.00 0.00 O ATOM 332 CB GLN A 21 9.818 -18.082 -7.478 1.00 0.00 C ATOM 333 CG GLN A 21 11.274 -18.520 -7.447 1.00 0.00 C ATOM 334 CD GLN A 21 11.756 -18.843 -6.046 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.455 -18.125 -5.092 1.00 0.00 O ATOM 336 NE2 GLN A 21 12.509 -19.929 -5.916 1.00 0.00 N ATOM 0 H GLN A 21 9.922 -19.411 -9.550 1.00 0.00 H new ATOM 0 HA GLN A 21 8.321 -17.255 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.658 -17.327 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.186 -18.933 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.399 -19.397 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.896 -17.730 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.734 -20.495 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.863 -20.197 -4.998 1.00 0.00 H new ATOM 345 N LYS A 22 11.281 -16.430 -9.866 1.00 0.00 N ATOM 346 CA LYS A 22 12.131 -15.308 -10.243 1.00 0.00 C ATOM 347 C LYS A 22 11.318 -14.214 -10.927 1.00 0.00 C ATOM 348 O LYS A 22 11.321 -13.061 -10.495 1.00 0.00 O ATOM 349 CB LYS A 22 13.253 -15.780 -11.170 1.00 0.00 C ATOM 350 CG LYS A 22 14.249 -16.708 -10.497 1.00 0.00 C ATOM 351 CD LYS A 22 15.563 -16.763 -11.258 1.00 0.00 C ATOM 352 CE LYS A 22 16.428 -15.546 -10.966 1.00 0.00 C ATOM 353 NZ LYS A 22 17.054 -15.622 -9.617 1.00 0.00 N ATOM 0 H LYS A 22 11.611 -17.337 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 22 12.569 -14.895 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.814 -16.292 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.784 -14.910 -11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.432 -16.369 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.825 -17.710 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.104 -17.669 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.363 -16.820 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.207 -15.464 -11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.820 -14.644 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.775 -14.878 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.325 -15.488 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.500 -16.553 -9.493 1.00 0.00 H new ATOM 367 N VAL A 23 10.620 -14.583 -11.997 1.00 0.00 N ATOM 368 CA VAL A 23 9.800 -13.634 -12.740 1.00 0.00 C ATOM 369 C VAL A 23 8.779 -12.961 -11.830 1.00 0.00 C ATOM 370 O VAL A 23 8.528 -11.761 -11.942 1.00 0.00 O ATOM 371 CB VAL A 23 9.060 -14.322 -13.902 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.837 -13.514 -14.309 1.00 0.00 C ATOM 373 CG2 VAL A 23 9.995 -14.521 -15.085 1.00 0.00 C ATOM 0 H VAL A 23 10.606 -15.533 -12.368 1.00 0.00 H new ATOM 0 HA VAL A 23 10.475 -12.880 -13.144 1.00 0.00 H new ATOM 0 HB VAL A 23 8.723 -15.302 -13.566 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.327 -14.015 -15.131 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.159 -13.428 -13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.148 -12.519 -14.628 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.456 -15.008 -15.897 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.364 -13.553 -15.424 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.837 -15.144 -14.783 1.00 0.00 H new ATOM 383 N ALA A 24 8.193 -13.741 -10.928 1.00 0.00 N ATOM 384 CA ALA A 24 7.200 -13.219 -9.996 1.00 0.00 C ATOM 385 C ALA A 24 7.794 -12.121 -9.120 1.00 0.00 C ATOM 386 O ALA A 24 7.235 -11.029 -9.015 1.00 0.00 O ATOM 387 CB ALA A 24 6.645 -14.343 -9.133 1.00 0.00 C ATOM 0 H ALA A 24 8.388 -14.737 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 24 6.386 -12.785 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.905 -13.940 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.176 -15.093 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.456 -14.803 -8.568 1.00 0.00 H new ATOM 393 N ARG A 25 8.927 -12.418 -8.493 1.00 0.00 N ATOM 394 CA ARG A 25 9.595 -11.455 -7.625 1.00 0.00 C ATOM 395 C ARG A 25 9.910 -10.168 -8.381 1.00 0.00 C ATOM 396 O ARG A 25 9.513 -9.079 -7.965 1.00 0.00 O ATOM 397 CB ARG A 25 10.883 -12.055 -7.059 1.00 0.00 C ATOM 398 CG ARG A 25 11.380 -11.356 -5.804 1.00 0.00 C ATOM 399 CD ARG A 25 12.332 -12.241 -5.014 1.00 0.00 C ATOM 400 NE ARG A 25 13.620 -12.395 -5.685 1.00 0.00 N ATOM 401 CZ ARG A 25 14.623 -13.115 -5.195 1.00 0.00 C ATOM 402 NH1 ARG A 25 14.487 -13.743 -4.035 1.00 0.00 N ATOM 403 NH2 ARG A 25 15.764 -13.208 -5.865 1.00 0.00 N ATOM 0 H ARG A 25 9.402 -13.317 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 25 8.921 -11.217 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.716 -13.109 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.660 -12.010 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.885 -10.430 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.531 -11.083 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.488 -11.812 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.879 -13.222 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 25 13.757 -11.924 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.611 -13.674 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.258 -14.295 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.872 -12.726 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.533 -13.761 -5.488 1.00 0.00 H new ATOM 417 N ARG A 26 10.625 -10.301 -9.493 1.00 0.00 N ATOM 418 CA ARG A 26 10.995 -9.148 -10.306 1.00 0.00 C ATOM 419 C ARG A 26 9.754 -8.412 -10.802 1.00 0.00 C ATOM 420 O ARG A 26 9.705 -7.183 -10.796 1.00 0.00 O ATOM 421 CB ARG A 26 11.849 -9.589 -11.496 1.00 0.00 C ATOM 422 CG ARG A 26 12.686 -8.470 -12.093 1.00 0.00 C ATOM 423 CD ARG A 26 13.870 -9.016 -12.875 1.00 0.00 C ATOM 424 NE ARG A 26 14.882 -9.600 -11.998 1.00 0.00 N ATOM 425 CZ ARG A 26 15.695 -8.881 -11.233 1.00 0.00 C ATOM 426 NH1 ARG A 26 15.616 -7.558 -11.235 1.00 0.00 N ATOM 427 NH2 ARG A 26 16.590 -9.486 -10.462 1.00 0.00 N ATOM 0 H ARG A 26 10.960 -11.195 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 26 11.576 -8.467 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.510 -10.396 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.197 -9.996 -12.269 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.065 -7.860 -12.749 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.044 -7.818 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.522 -9.771 -13.580 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.318 -8.214 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 26 14.969 -10.616 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.929 -7.089 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.242 -7.009 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.654 -10.504 -10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.214 -8.933 -9.875 1.00 0.00 H new ATOM 441 N ALA A 27 8.753 -9.174 -11.232 1.00 0.00 N ATOM 442 CA ALA A 27 7.512 -8.595 -11.731 1.00 0.00 C ATOM 443 C ALA A 27 6.903 -7.640 -10.710 1.00 0.00 C ATOM 444 O ALA A 27 6.408 -6.569 -11.065 1.00 0.00 O ATOM 445 CB ALA A 27 6.521 -9.695 -12.084 1.00 0.00 C ATOM 0 H ALA A 27 8.778 -10.194 -11.245 1.00 0.00 H new ATOM 0 HA ALA A 27 7.742 -8.025 -12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.599 -9.248 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.949 -10.337 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.305 -10.289 -11.196 1.00 0.00 H new ATOM 451 N LEU A 28 6.942 -8.033 -9.442 1.00 0.00 N ATOM 452 CA LEU A 28 6.394 -7.211 -8.369 1.00 0.00 C ATOM 453 C LEU A 28 6.885 -5.771 -8.480 1.00 0.00 C ATOM 454 O LEU A 28 6.135 -4.829 -8.231 1.00 0.00 O ATOM 455 CB LEU A 28 6.781 -7.791 -7.007 1.00 0.00 C ATOM 456 CG LEU A 28 5.791 -7.545 -5.867 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.750 -8.741 -4.929 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.159 -6.280 -5.105 1.00 0.00 C ATOM 0 H LEU A 28 7.347 -8.916 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 28 5.308 -7.213 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.917 -8.867 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.747 -7.376 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 28 4.798 -7.411 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.041 -8.548 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.439 -9.627 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.741 -8.906 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.444 -6.121 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.160 -6.385 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.136 -5.427 -5.783 1.00 0.00 H new ATOM 470 N GLU A 29 8.150 -5.611 -8.857 1.00 0.00 N ATOM 471 CA GLU A 29 8.740 -4.285 -9.002 1.00 0.00 C ATOM 472 C GLU A 29 8.562 -3.763 -10.425 1.00 0.00 C ATOM 473 O GLU A 29 8.195 -2.605 -10.632 1.00 0.00 O ATOM 474 CB GLU A 29 10.227 -4.323 -8.644 1.00 0.00 C ATOM 475 CG GLU A 29 10.531 -5.124 -7.389 1.00 0.00 C ATOM 476 CD GLU A 29 11.523 -4.428 -6.478 1.00 0.00 C ATOM 477 OE1 GLU A 29 11.386 -3.203 -6.276 1.00 0.00 O ATOM 478 OE2 GLU A 29 12.437 -5.108 -5.967 1.00 0.00 O ATOM 0 H GLU A 29 8.785 -6.381 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 29 8.226 -3.610 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.782 -4.748 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.586 -3.303 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.605 -5.302 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.926 -6.100 -7.672 1.00 0.00 H new ATOM 485 N LEU A 30 8.824 -4.624 -11.402 1.00 0.00 N ATOM 486 CA LEU A 30 8.693 -4.251 -12.806 1.00 0.00 C ATOM 487 C LEU A 30 7.308 -3.677 -13.090 1.00 0.00 C ATOM 488 O LEU A 30 7.177 -2.533 -13.525 1.00 0.00 O ATOM 489 CB LEU A 30 8.948 -5.464 -13.703 1.00 0.00 C ATOM 490 CG LEU A 30 10.381 -5.997 -13.718 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.512 -7.147 -14.705 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.360 -4.884 -14.062 1.00 0.00 C ATOM 0 H LEU A 30 9.128 -5.585 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 30 9.436 -3.484 -13.023 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.285 -6.270 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.668 -5.202 -14.723 1.00 0.00 H new ATOM 0 HG LEU A 30 10.620 -6.370 -12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.538 -7.514 -14.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.838 -7.953 -14.416 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.254 -6.799 -15.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.375 -5.281 -14.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.122 -4.481 -15.047 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.285 -4.091 -13.318 1.00 0.00 H new ATOM 504 N SER A 31 6.278 -4.478 -12.839 1.00 0.00 N ATOM 505 CA SER A 31 4.903 -4.050 -13.069 1.00 0.00 C ATOM 506 C SER A 31 4.609 -2.747 -12.333 1.00 0.00 C ATOM 507 O SER A 31 5.298 -2.371 -11.384 1.00 0.00 O ATOM 508 CB SER A 31 3.926 -5.137 -12.617 1.00 0.00 C ATOM 509 OG SER A 31 2.967 -4.616 -11.713 1.00 0.00 O ATOM 0 H SER A 31 6.369 -5.427 -12.476 1.00 0.00 H new ATOM 0 HA SER A 31 4.776 -3.879 -14.138 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.420 -5.560 -13.485 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.475 -5.949 -12.141 1.00 0.00 H new ATOM 0 HG SER A 31 2.963 -5.154 -10.894 1.00 0.00 H new ATOM 515 N PRO A 32 3.561 -2.039 -12.779 1.00 0.00 N ATOM 516 CA PRO A 32 3.150 -0.768 -12.176 1.00 0.00 C ATOM 517 C PRO A 32 2.559 -0.950 -10.783 1.00 0.00 C ATOM 518 O PRO A 32 2.938 -0.254 -9.841 1.00 0.00 O ATOM 519 CB PRO A 32 2.086 -0.244 -13.144 1.00 0.00 C ATOM 520 CG PRO A 32 1.545 -1.463 -13.808 1.00 0.00 C ATOM 521 CD PRO A 32 2.695 -2.427 -13.905 1.00 0.00 C ATOM 0 HA PRO A 32 3.993 -0.091 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.303 0.299 -12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.517 0.445 -13.871 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.725 -1.890 -13.231 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.150 -1.226 -14.796 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.361 -3.461 -13.818 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.214 -2.339 -14.860 1.00 0.00 H new ATOM 529 N TYR A 33 1.628 -1.890 -10.658 1.00 0.00 N ATOM 530 CA TYR A 33 0.983 -2.162 -9.380 1.00 0.00 C ATOM 531 C TYR A 33 1.510 -3.458 -8.769 1.00 0.00 C ATOM 532 O TYR A 33 1.691 -4.457 -9.465 1.00 0.00 O ATOM 533 CB TYR A 33 -0.533 -2.249 -9.558 1.00 0.00 C ATOM 534 CG TYR A 33 -1.040 -1.538 -10.792 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.882 -0.165 -10.941 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.674 -2.238 -11.811 1.00 0.00 C ATOM 537 CE1 TYR A 33 -1.344 0.489 -12.067 1.00 0.00 C ATOM 538 CE2 TYR A 33 -2.138 -1.593 -12.941 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.971 -0.229 -13.064 1.00 0.00 C ATOM 540 OH TYR A 33 -2.431 0.418 -14.187 1.00 0.00 O ATOM 0 H TYR A 33 1.304 -2.476 -11.427 1.00 0.00 H new ATOM 0 HA TYR A 33 1.216 -1.341 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.825 -3.298 -9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.018 -1.824 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.390 0.400 -10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.806 -3.306 -11.718 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.215 1.557 -12.166 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.629 -2.153 -13.723 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.846 -0.232 -14.792 1.00 0.00 H new ATOM 550 N ASP A 34 1.752 -3.432 -7.463 1.00 0.00 N ATOM 551 CA ASP A 34 2.256 -4.604 -6.756 1.00 0.00 C ATOM 552 C ASP A 34 1.295 -5.780 -6.900 1.00 0.00 C ATOM 553 O ASP A 34 0.295 -5.695 -7.613 1.00 0.00 O ATOM 554 CB ASP A 34 2.468 -4.281 -5.276 1.00 0.00 C ATOM 555 CG ASP A 34 3.603 -3.301 -5.055 1.00 0.00 C ATOM 556 OD1 ASP A 34 3.366 -2.081 -5.180 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.728 -3.753 -4.757 1.00 0.00 O ATOM 0 H ASP A 34 1.607 -2.613 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 34 3.212 -4.882 -7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.549 -3.867 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.676 -5.202 -4.732 1.00 0.00 H new ATOM 562 N PHE A 35 1.606 -6.878 -6.219 1.00 0.00 N ATOM 563 CA PHE A 35 0.771 -8.073 -6.272 1.00 0.00 C ATOM 564 C PHE A 35 1.062 -8.993 -5.091 1.00 0.00 C ATOM 565 O PHE A 35 2.207 -9.118 -4.652 1.00 0.00 O ATOM 566 CB PHE A 35 1.001 -8.823 -7.586 1.00 0.00 C ATOM 567 CG PHE A 35 2.221 -9.699 -7.570 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.160 -10.984 -7.055 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.428 -9.238 -8.070 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.281 -11.794 -7.040 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.552 -10.043 -8.058 1.00 0.00 C ATOM 572 CZ PHE A 35 4.478 -11.322 -7.541 1.00 0.00 C ATOM 0 H PHE A 35 2.430 -6.965 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.272 -7.760 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.126 -9.436 -7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.093 -8.100 -8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.226 -11.357 -6.661 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.492 -8.238 -8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.220 -12.794 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.487 -9.672 -8.452 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.355 -11.952 -7.529 1.00 0.00 H new ATOM 582 N THR A 36 0.018 -9.637 -4.578 1.00 0.00 N ATOM 583 CA THR A 36 0.160 -10.544 -3.446 1.00 0.00 C ATOM 584 C THR A 36 0.096 -11.999 -3.896 1.00 0.00 C ATOM 585 O THR A 36 -0.685 -12.351 -4.781 1.00 0.00 O ATOM 586 CB THR A 36 -0.932 -10.297 -2.388 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.811 -11.251 -1.327 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.318 -10.395 -3.008 1.00 0.00 C ATOM 0 H THR A 36 -0.935 -9.547 -4.929 1.00 0.00 H new ATOM 0 HA THR A 36 1.136 -10.346 -3.003 1.00 0.00 H new ATOM 0 HB THR A 36 -0.799 -9.291 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.513 -10.797 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.073 -10.217 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.418 -9.649 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.458 -11.390 -3.431 1.00 0.00 H new ATOM 596 N ILE A 37 0.921 -12.840 -3.282 1.00 0.00 N ATOM 597 CA ILE A 37 0.956 -14.258 -3.620 1.00 0.00 C ATOM 598 C ILE A 37 -0.117 -15.030 -2.859 1.00 0.00 C ATOM 599 O ILE A 37 -0.348 -14.790 -1.674 1.00 0.00 O ATOM 600 CB ILE A 37 2.333 -14.876 -3.312 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.358 -14.436 -4.359 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.233 -16.393 -3.265 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.234 -15.175 -5.674 1.00 0.00 C ATOM 0 H ILE A 37 1.574 -12.565 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 37 0.765 -14.333 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 37 2.664 -14.523 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.245 -13.367 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.361 -14.587 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.214 -16.816 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.529 -16.687 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.884 -16.765 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.992 -14.812 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.377 -16.242 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.244 -15.004 -6.096 1.00 0.00 H new ATOM 615 N VAL A 38 -0.768 -15.961 -3.549 1.00 0.00 N ATOM 616 CA VAL A 38 -1.815 -16.773 -2.938 1.00 0.00 C ATOM 617 C VAL A 38 -1.323 -18.189 -2.664 1.00 0.00 C ATOM 618 O VAL A 38 -1.551 -18.738 -1.587 1.00 0.00 O ATOM 619 CB VAL A 38 -3.067 -16.840 -3.833 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.158 -17.661 -3.163 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.565 -15.440 -4.158 1.00 0.00 C ATOM 0 H VAL A 38 -0.589 -16.172 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.077 -16.294 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.798 -17.331 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.035 -17.698 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.795 -18.673 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.427 -17.201 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.450 -15.506 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.818 -14.920 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.784 -14.889 -4.682 1.00 0.00 H new ATOM 631 N GLN A 39 -0.647 -18.775 -3.647 1.00 0.00 N ATOM 632 CA GLN A 39 -0.122 -20.129 -3.511 1.00 0.00 C ATOM 633 C GLN A 39 1.084 -20.339 -4.421 1.00 0.00 C ATOM 634 O GLN A 39 1.143 -19.800 -5.525 1.00 0.00 O ATOM 635 CB GLN A 39 -1.208 -21.155 -3.839 1.00 0.00 C ATOM 636 CG GLN A 39 -1.219 -22.351 -2.901 1.00 0.00 C ATOM 637 CD GLN A 39 -2.596 -22.968 -2.758 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.939 -23.918 -3.463 1.00 0.00 O ATOM 639 NE2 GLN A 39 -3.394 -22.431 -1.843 1.00 0.00 N ATOM 0 H GLN A 39 -0.450 -18.334 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 39 0.197 -20.266 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.181 -20.666 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.067 -21.507 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.524 -23.105 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.860 -22.041 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.069 -21.645 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.332 -22.805 -1.702 1.00 0.00 H new ATOM 648 N GLY A 40 2.045 -21.127 -3.949 1.00 0.00 N ATOM 649 CA GLY A 40 3.237 -21.394 -4.732 1.00 0.00 C ATOM 650 C GLY A 40 3.549 -22.874 -4.828 1.00 0.00 C ATOM 651 O GLY A 40 3.613 -23.433 -5.923 1.00 0.00 O ATOM 0 H GLY A 40 2.019 -21.585 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.107 -20.988 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.085 -20.875 -4.285 1.00 0.00 H new ATOM 655 N ILE A 41 3.744 -23.511 -3.678 1.00 0.00 N ATOM 656 CA ILE A 41 4.052 -24.936 -3.637 1.00 0.00 C ATOM 657 C ILE A 41 3.181 -25.657 -2.613 1.00 0.00 C ATOM 658 O ILE A 41 2.907 -25.129 -1.535 1.00 0.00 O ATOM 659 CB ILE A 41 5.534 -25.182 -3.298 1.00 0.00 C ATOM 660 CG1 ILE A 41 6.303 -25.603 -4.552 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.660 -26.241 -2.213 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.863 -26.938 -5.111 1.00 0.00 C ATOM 0 H ILE A 41 3.694 -23.063 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 41 3.845 -25.333 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 41 5.965 -24.253 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.178 -24.838 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.367 -25.649 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.713 -26.404 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.141 -25.905 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.216 -27.173 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.451 -27.172 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.014 -27.714 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.807 -26.891 -5.377 1.00 0.00 H new ATOM 674 N ARG A 42 2.750 -26.866 -2.958 1.00 0.00 N ATOM 675 CA ARG A 42 1.911 -27.660 -2.069 1.00 0.00 C ATOM 676 C ARG A 42 2.758 -28.605 -1.222 1.00 0.00 C ATOM 677 O ARG A 42 3.600 -29.337 -1.742 1.00 0.00 O ATOM 678 CB ARG A 42 0.889 -28.461 -2.878 1.00 0.00 C ATOM 679 CG ARG A 42 -0.279 -27.627 -3.380 1.00 0.00 C ATOM 680 CD ARG A 42 -1.493 -28.493 -3.680 1.00 0.00 C ATOM 681 NE ARG A 42 -2.489 -27.781 -4.477 1.00 0.00 N ATOM 682 CZ ARG A 42 -3.421 -28.390 -5.201 1.00 0.00 C ATOM 683 NH1 ARG A 42 -3.485 -29.714 -5.229 1.00 0.00 N ATOM 684 NH2 ARG A 42 -4.293 -27.673 -5.900 1.00 0.00 N ATOM 0 H ARG A 42 2.968 -27.317 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 42 1.383 -26.977 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.391 -28.918 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.506 -29.273 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.541 -26.878 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.017 -27.089 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.176 -29.390 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.945 -28.821 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.467 -26.761 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.817 -30.268 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.202 -30.178 -5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.247 -26.654 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.009 -28.141 -6.456 1.00 0.00 H new ATOM 1035 N HIS A 66 0.581 -26.934 -9.213 1.00 0.00 N ATOM 1036 CA HIS A 66 1.444 -26.623 -8.079 1.00 0.00 C ATOM 1037 C HIS A 66 2.166 -27.874 -7.587 1.00 0.00 C ATOM 1038 O HIS A 66 3.232 -27.786 -6.976 1.00 0.00 O ATOM 1039 CB HIS A 66 0.625 -26.012 -6.941 1.00 0.00 C ATOM 1040 CG HIS A 66 0.066 -24.660 -7.265 1.00 0.00 C ATOM 1041 ND1 HIS A 66 0.422 -23.516 -6.582 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -0.826 -24.273 -8.206 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.229 -22.484 -7.088 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -0.993 -22.916 -8.075 1.00 0.00 N ATOM 0 HA HIS A 66 2.190 -25.900 -8.409 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.195 -26.685 -6.692 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.253 -25.933 -6.054 1.00 0.00 H new ATOM 0 HD1 HIS A 66 1.084 -23.473 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.315 -24.912 -8.926 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.150 -21.461 -6.752 1.00 0.00 H new ATOM 1052 N ILE A 67 1.579 -29.035 -7.856 1.00 0.00 N ATOM 1053 CA ILE A 67 2.167 -30.302 -7.440 1.00 0.00 C ATOM 1054 C ILE A 67 3.597 -30.438 -7.952 1.00 0.00 C ATOM 1055 O ILE A 67 4.494 -30.854 -7.218 1.00 0.00 O ATOM 1056 CB ILE A 67 1.338 -31.499 -7.943 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -0.146 -31.286 -7.633 1.00 0.00 C ATOM 1058 CG2 ILE A 67 1.836 -32.790 -7.312 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -0.411 -30.877 -6.201 1.00 0.00 C ATOM 0 H ILE A 67 0.697 -29.124 -8.360 1.00 0.00 H new ATOM 0 HA ILE A 67 2.171 -30.306 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 67 1.457 -31.576 -9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.542 -30.521 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.689 -32.207 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.240 -33.627 -7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.882 -32.945 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.743 -32.724 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.483 -30.744 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.045 -31.652 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.104 -29.940 -5.989 1.00 0.00 H new ATOM 1071 N THR A 68 3.804 -30.084 -9.216 1.00 0.00 N ATOM 1072 CA THR A 68 5.125 -30.165 -9.827 1.00 0.00 C ATOM 1073 C THR A 68 5.917 -28.884 -9.596 1.00 0.00 C ATOM 1074 O THR A 68 7.066 -28.768 -10.020 1.00 0.00 O ATOM 1075 CB THR A 68 5.028 -30.430 -11.341 1.00 0.00 C ATOM 1076 OG1 THR A 68 6.327 -30.339 -11.938 1.00 0.00 O ATOM 1077 CG2 THR A 68 4.088 -29.436 -12.006 1.00 0.00 C ATOM 0 H THR A 68 3.073 -29.738 -9.837 1.00 0.00 H new ATOM 0 HA THR A 68 5.642 -30.999 -9.352 1.00 0.00 H new ATOM 0 HB THR A 68 4.631 -31.434 -11.487 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.963 -29.979 -11.285 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.036 -29.643 -13.075 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.093 -29.528 -11.570 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.460 -28.423 -11.851 1.00 0.00 H new ATOM 1085 N GLY A 69 5.295 -27.922 -8.920 1.00 0.00 N ATOM 1086 CA GLY A 69 5.958 -26.661 -8.644 1.00 0.00 C ATOM 1087 C GLY A 69 6.336 -25.916 -9.909 1.00 0.00 C ATOM 1088 O GLY A 69 7.265 -25.108 -9.908 1.00 0.00 O ATOM 0 H GLY A 69 4.344 -27.994 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.303 -26.034 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.855 -26.847 -8.054 1.00 0.00 H new ATOM 1092 N ASP A 70 5.615 -26.188 -10.991 1.00 0.00 N ATOM 1093 CA ASP A 70 5.880 -25.538 -12.269 1.00 0.00 C ATOM 1094 C ASP A 70 4.861 -24.435 -12.538 1.00 0.00 C ATOM 1095 O ASP A 70 4.651 -24.036 -13.684 1.00 0.00 O ATOM 1096 CB ASP A 70 5.851 -26.563 -13.403 1.00 0.00 C ATOM 1097 CG ASP A 70 4.446 -26.834 -13.904 1.00 0.00 C ATOM 1098 OD1 ASP A 70 3.509 -26.814 -13.080 1.00 0.00 O ATOM 1099 OD2 ASP A 70 4.284 -27.067 -15.120 1.00 0.00 O ATOM 0 H ASP A 70 4.843 -26.854 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 70 6.872 -25.089 -12.222 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.465 -26.204 -14.229 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.296 -27.496 -13.057 1.00 0.00 H new ATOM 1104 N ALA A 71 4.230 -23.947 -11.475 1.00 0.00 N ATOM 1105 CA ALA A 71 3.234 -22.889 -11.597 1.00 0.00 C ATOM 1106 C ALA A 71 2.885 -22.304 -10.233 1.00 0.00 C ATOM 1107 O ALA A 71 3.117 -22.933 -9.200 1.00 0.00 O ATOM 1108 CB ALA A 71 1.983 -23.419 -12.282 1.00 0.00 C ATOM 0 H ALA A 71 4.391 -24.267 -10.520 1.00 0.00 H new ATOM 0 HA ALA A 71 3.659 -22.092 -12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.248 -22.619 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.239 -23.783 -13.277 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.564 -24.236 -11.694 1.00 0.00 H new ATOM 1114 N ILE A 72 2.326 -21.099 -10.237 1.00 0.00 N ATOM 1115 CA ILE A 72 1.945 -20.430 -8.999 1.00 0.00 C ATOM 1116 C ILE A 72 0.759 -19.497 -9.220 1.00 0.00 C ATOM 1117 O ILE A 72 0.440 -19.141 -10.355 1.00 0.00 O ATOM 1118 CB ILE A 72 3.117 -19.622 -8.411 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.602 -18.580 -9.421 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.254 -20.551 -8.013 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.887 -17.251 -9.309 1.00 0.00 C ATOM 0 H ILE A 72 2.127 -20.566 -11.083 1.00 0.00 H new ATOM 0 HA ILE A 72 1.663 -21.211 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 72 2.770 -19.102 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.671 -18.421 -9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.467 -18.972 -10.429 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.075 -19.965 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.900 -21.259 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.603 -21.095 -8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.282 -16.561 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.820 -17.396 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.043 -16.837 -8.313 1.00 0.00 H new ATOM 1133 N ASP A 73 0.111 -19.104 -8.129 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.038 -18.209 -8.204 1.00 0.00 C ATOM 1135 C ASP A 73 -0.759 -16.904 -7.464 1.00 0.00 C ATOM 1136 O ASP A 73 -0.170 -16.904 -6.383 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.278 -18.887 -7.618 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.562 -18.183 -8.011 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.654 -16.956 -7.799 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.475 -18.860 -8.529 1.00 0.00 O ATOM 0 H ASP A 73 0.361 -19.391 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.221 -17.979 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.316 -19.923 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.197 -18.909 -6.531 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.185 -15.792 -8.055 1.00 0.00 N ATOM 1146 CA PHE A 74 -0.979 -14.480 -7.454 1.00 0.00 C ATOM 1147 C PHE A 74 -2.192 -13.582 -7.681 1.00 0.00 C ATOM 1148 O PHE A 74 -3.129 -13.953 -8.387 1.00 0.00 O ATOM 1149 CB PHE A 74 0.274 -13.820 -8.034 1.00 0.00 C ATOM 1150 CG PHE A 74 0.044 -13.163 -9.365 1.00 0.00 C ATOM 1151 CD1 PHE A 74 0.202 -13.877 -10.541 1.00 0.00 C ATOM 1152 CD2 PHE A 74 -0.330 -11.831 -9.439 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.008 -13.274 -11.767 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.542 -11.223 -10.662 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.382 -11.946 -11.827 1.00 0.00 C ATOM 0 H PHE A 74 -1.675 -15.774 -8.949 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.845 -14.617 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.642 -13.075 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.056 -14.572 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.492 -14.916 -10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.457 -11.261 -8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.120 -13.841 -12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.832 -10.184 -10.706 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.549 -11.474 -12.784 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.165 -12.398 -7.077 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.260 -11.446 -7.214 1.00 0.00 C ATOM 1167 C ALA A 75 -2.734 -10.028 -7.409 1.00 0.00 C ATOM 1168 O ALA A 75 -1.824 -9.577 -6.713 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.171 -11.510 -5.996 1.00 0.00 C ATOM 0 H ALA A 75 -1.397 -12.076 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.835 -11.717 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.984 -10.794 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.583 -12.515 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.599 -11.267 -5.101 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.318 -9.307 -8.378 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.923 -7.930 -8.686 1.00 0.00 C ATOM 1177 C PRO A 76 -3.320 -6.952 -7.585 1.00 0.00 C ATOM 1178 O PRO A 76 -4.505 -6.751 -7.317 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.689 -7.622 -9.976 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.869 -8.530 -9.941 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.409 -9.781 -9.246 1.00 0.00 C ATOM 0 HA PRO A 76 -1.842 -7.828 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.995 -6.577 -10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.073 -7.807 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.700 -8.070 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.222 -8.751 -10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.212 -10.238 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.061 -10.531 -9.957 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.322 -6.348 -6.950 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.567 -5.393 -5.876 1.00 0.00 C ATOM 1191 C TYR A 77 -2.679 -3.973 -6.424 1.00 0.00 C ATOM 1192 O TYR A 77 -1.865 -3.547 -7.244 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.447 -5.463 -4.837 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.945 -5.622 -3.419 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.402 -6.850 -2.956 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.961 -4.545 -2.542 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.860 -7.000 -1.661 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.415 -4.686 -1.245 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.864 -5.916 -0.809 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.318 -6.060 0.482 1.00 0.00 O ATOM 0 H TYR A 77 -1.336 -6.503 -7.160 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.512 -5.655 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.791 -6.299 -5.078 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.845 -4.556 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.399 -7.702 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.612 -3.580 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.213 -7.961 -1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.419 -3.838 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.253 -5.201 0.949 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.692 -3.247 -5.965 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.910 -1.875 -6.407 1.00 0.00 C ATOM 1212 C ILE A 78 -4.552 -1.038 -5.306 1.00 0.00 C ATOM 1213 O ILE A 78 -5.474 -1.489 -4.627 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.801 -1.823 -7.662 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -4.055 -2.396 -8.868 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -5.245 -0.394 -7.937 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.271 -3.881 -9.063 1.00 0.00 C ATOM 0 H ILE A 78 -4.375 -3.586 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.931 -1.462 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.688 -2.431 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.375 -1.869 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.988 -2.205 -8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.874 -0.373 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.810 -0.018 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.369 0.235 -8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.712 -4.218 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.924 -4.418 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.333 -4.078 -9.213 1.00 0.00 H new ATOM 1229 N ASN A 79 -4.060 0.185 -5.136 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.587 1.086 -4.118 1.00 0.00 C ATOM 1231 C ASN A 79 -4.402 0.498 -2.722 1.00 0.00 C ATOM 1232 O ASN A 79 -5.224 0.714 -1.833 1.00 0.00 O ATOM 1233 CB ASN A 79 -6.069 1.367 -4.374 1.00 0.00 C ATOM 1234 CG ASN A 79 -6.502 2.718 -3.838 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.679 3.611 -3.637 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.800 2.873 -3.604 1.00 0.00 N ATOM 0 H ASN A 79 -3.297 0.575 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.032 2.022 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.264 1.325 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.670 0.585 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.151 3.760 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.446 2.105 -3.785 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.316 -0.246 -2.538 1.00 0.00 N ATOM 1244 CA GLY A 80 -3.042 -0.853 -1.249 1.00 0.00 C ATOM 1245 C GLY A 80 -4.027 -1.953 -0.905 1.00 0.00 C ATOM 1246 O GLY A 80 -4.070 -2.427 0.230 1.00 0.00 O ATOM 0 H GLY A 80 -2.621 -0.439 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.032 -1.262 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.074 -0.086 -0.475 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.824 -2.359 -1.888 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.815 -3.410 -1.685 1.00 0.00 C ATOM 1252 C LYS A 81 -5.874 -4.342 -2.892 1.00 0.00 C ATOM 1253 O LYS A 81 -5.462 -3.974 -3.992 1.00 0.00 O ATOM 1254 CB LYS A 81 -7.194 -2.797 -1.432 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.444 -2.442 0.024 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.793 -1.768 0.209 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.725 -0.285 -0.122 1.00 0.00 C ATOM 1258 NZ LYS A 81 -10.059 0.369 -0.012 1.00 0.00 N ATOM 0 H LYS A 81 -4.803 -1.976 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.518 -3.992 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.300 -1.898 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.960 -3.498 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.401 -3.345 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.654 -1.781 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.533 -2.251 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.127 -1.897 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.023 0.206 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.339 -0.156 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.971 1.379 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.723 -0.082 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.416 0.268 0.960 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.391 -5.547 -2.677 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.506 -6.529 -3.748 1.00 0.00 C ATOM 1274 C ILE A 82 -7.475 -6.055 -4.827 1.00 0.00 C ATOM 1275 O ILE A 82 -8.546 -5.529 -4.525 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.980 -7.893 -3.212 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.188 -8.277 -1.961 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.837 -8.962 -4.285 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -7.010 -8.245 -0.692 1.00 0.00 C ATOM 0 H ILE A 82 -6.736 -5.866 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.512 -6.643 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.033 -7.815 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.778 -9.278 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.342 -7.598 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.176 -9.920 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.441 -8.691 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.791 -9.041 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.384 -8.528 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.398 -7.239 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.841 -8.945 -0.779 1.00 0.00 H new ATOM 1291 N ASP A 83 -7.091 -6.246 -6.084 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.926 -5.841 -7.208 1.00 0.00 C ATOM 1293 C ASP A 83 -8.496 -7.059 -7.929 1.00 0.00 C ATOM 1294 O ASP A 83 -7.813 -7.690 -8.736 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.121 -4.984 -8.187 1.00 0.00 C ATOM 1296 CG ASP A 83 -8.004 -4.265 -9.188 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.921 -4.908 -9.739 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.776 -3.059 -9.421 1.00 0.00 O ATOM 0 H ASP A 83 -6.207 -6.679 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.755 -5.251 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.538 -4.251 -7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.412 -5.616 -8.721 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.748 -7.384 -7.631 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.409 -8.528 -8.250 1.00 0.00 C ATOM 1305 C TRP A 84 -11.550 -8.074 -9.153 1.00 0.00 C ATOM 1306 O TRP A 84 -12.046 -8.843 -9.976 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.939 -9.479 -7.176 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.891 -10.399 -6.628 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.440 -10.452 -5.340 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.162 -11.396 -7.351 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.474 -11.423 -5.219 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.286 -12.017 -6.439 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.165 -11.827 -8.681 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.423 -13.042 -6.816 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.308 -12.845 -9.053 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.447 -13.444 -8.124 1.00 0.00 C ATOM 0 H TRP A 84 -10.327 -6.872 -6.965 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.675 -9.054 -8.861 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.362 -8.894 -6.359 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.751 -10.073 -7.596 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.791 -9.824 -4.535 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.978 -11.662 -4.360 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.825 -11.372 -9.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.758 -13.504 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.302 -13.185 -10.078 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.790 -14.238 -8.446 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.962 -6.820 -8.995 1.00 0.00 N ATOM 1328 CA ASN A 85 -13.046 -6.265 -9.797 1.00 0.00 C ATOM 1329 C ASN A 85 -12.497 -5.450 -10.964 1.00 0.00 C ATOM 1330 O ASN A 85 -12.976 -5.562 -12.092 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.952 -5.388 -8.930 1.00 0.00 C ATOM 1332 CG ASN A 85 -15.085 -4.766 -9.723 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -15.925 -5.470 -10.283 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -15.113 -3.439 -9.774 1.00 0.00 N ATOM 0 H ASN A 85 -11.562 -6.169 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.629 -7.094 -10.198 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.366 -5.988 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.357 -4.598 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.852 -2.964 -10.293 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.396 -2.895 -9.294 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.489 -4.631 -10.684 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.872 -3.799 -11.710 1.00 0.00 C ATOM 1343 C ASP A 86 -9.920 -4.618 -12.576 1.00 0.00 C ATOM 1344 O ASP A 86 -8.712 -4.640 -12.338 1.00 0.00 O ATOM 1345 CB ASP A 86 -10.121 -2.632 -11.067 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.862 -1.317 -11.210 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -12.099 -1.348 -11.377 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -10.205 -0.257 -11.153 1.00 0.00 O ATOM 0 H ASP A 86 -11.082 -4.526 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.664 -3.405 -12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.964 -2.844 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.136 -2.542 -11.524 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.472 -5.292 -13.579 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.672 -6.115 -14.479 1.00 0.00 C ATOM 1355 C LEU A 87 -8.733 -5.251 -15.316 1.00 0.00 C ATOM 1356 O LEU A 87 -7.725 -5.733 -15.831 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.582 -6.935 -15.396 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.369 -6.145 -16.442 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -11.541 -6.964 -17.712 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.723 -5.728 -15.886 1.00 0.00 C ATOM 0 H LEU A 87 -11.470 -5.285 -13.789 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.070 -6.793 -13.874 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.971 -7.675 -15.913 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.291 -7.483 -14.775 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.807 -5.245 -16.689 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.103 -6.385 -18.445 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.561 -7.212 -18.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.082 -7.882 -17.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.270 -5.167 -16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.292 -6.616 -15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.578 -5.102 -15.005 1.00 0.00 H new ATOM 1372 N GLU A 88 -9.072 -3.972 -15.445 1.00 0.00 N ATOM 1373 CA GLU A 88 -8.257 -3.041 -16.218 1.00 0.00 C ATOM 1374 C GLU A 88 -6.801 -3.085 -15.764 1.00 0.00 C ATOM 1375 O GLU A 88 -5.904 -3.386 -16.550 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.803 -1.618 -16.082 1.00 0.00 C ATOM 1377 CG GLU A 88 -9.917 -1.297 -17.064 1.00 0.00 C ATOM 1378 CD GLU A 88 -9.414 -1.133 -18.485 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -8.403 -0.427 -18.679 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -10.033 -1.710 -19.403 1.00 0.00 O ATOM 0 H GLU A 88 -9.904 -3.557 -15.025 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.301 -3.341 -17.265 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.173 -1.475 -15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.987 -0.910 -16.227 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.661 -2.093 -17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.418 -0.381 -16.752 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.576 -2.782 -14.490 1.00 0.00 N ATOM 1388 CA ALA A 89 -5.230 -2.789 -13.930 1.00 0.00 C ATOM 1389 C ALA A 89 -4.622 -4.186 -13.977 1.00 0.00 C ATOM 1390 O ALA A 89 -3.401 -4.345 -13.939 1.00 0.00 O ATOM 1391 CB ALA A 89 -5.251 -2.269 -12.500 1.00 0.00 C ATOM 0 H ALA A 89 -7.308 -2.529 -13.826 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.608 -2.130 -14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.239 -2.280 -12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.636 -1.249 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.893 -2.905 -11.891 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.480 -5.197 -14.060 1.00 0.00 N ATOM 1398 CA PHE A 90 -5.027 -6.582 -14.111 1.00 0.00 C ATOM 1399 C PHE A 90 -4.125 -6.816 -15.320 1.00 0.00 C ATOM 1400 O PHE A 90 -2.948 -7.145 -15.175 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.226 -7.532 -14.165 1.00 0.00 C ATOM 1402 CG PHE A 90 -6.008 -8.815 -13.416 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.785 -9.464 -13.469 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -7.026 -9.373 -12.659 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.582 -10.646 -12.781 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.829 -10.554 -11.969 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.605 -11.191 -12.029 1.00 0.00 C ATOM 0 H PHE A 90 -6.493 -5.083 -14.093 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.453 -6.783 -13.207 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.100 -7.025 -13.755 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.450 -7.762 -15.207 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.981 -9.042 -14.054 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.985 -8.879 -12.608 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.624 -11.143 -12.831 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.631 -10.978 -11.384 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.448 -12.113 -11.489 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.686 -6.643 -16.511 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.934 -6.835 -17.745 1.00 0.00 C ATOM 1419 C TRP A 91 -2.680 -5.967 -17.759 1.00 0.00 C ATOM 1420 O TRP A 91 -1.697 -6.291 -18.426 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.808 -6.508 -18.957 1.00 0.00 C ATOM 1422 CG TRP A 91 -4.100 -6.682 -20.266 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -3.782 -7.862 -20.876 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -3.619 -5.642 -21.125 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -3.133 -7.618 -22.062 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -3.021 -6.264 -22.238 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -3.637 -4.246 -21.063 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -2.447 -5.538 -23.278 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -3.067 -3.526 -22.095 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -2.479 -4.172 -23.191 1.00 0.00 C ATOM 0 H TRP A 91 -5.659 -6.370 -16.648 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.631 -7.881 -17.796 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.691 -7.147 -18.942 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.158 -5.479 -18.876 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -4.008 -8.843 -20.484 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -2.790 -8.330 -22.707 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.089 -3.739 -20.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -1.993 -6.034 -24.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.075 -2.447 -22.057 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.043 -3.581 -23.982 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.721 -4.864 -17.019 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.587 -3.951 -16.945 1.00 0.00 C ATOM 1443 C ALA A 92 -0.387 -4.619 -16.282 1.00 0.00 C ATOM 1444 O ALA A 92 0.733 -4.550 -16.788 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.974 -2.688 -16.190 1.00 0.00 C ATOM 0 H ALA A 92 -3.527 -4.581 -16.462 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.303 -3.680 -17.962 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.117 -2.016 -16.143 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.796 -2.193 -16.707 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.286 -2.950 -15.179 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.629 -5.266 -15.146 1.00 0.00 N ATOM 1452 CA VAL A 93 0.432 -5.947 -14.413 1.00 0.00 C ATOM 1453 C VAL A 93 0.745 -7.304 -15.034 1.00 0.00 C ATOM 1454 O VAL A 93 1.871 -7.794 -14.947 1.00 0.00 O ATOM 1455 CB VAL A 93 0.054 -6.146 -12.934 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.289 -6.850 -12.816 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.140 -6.925 -12.207 1.00 0.00 C ATOM 0 H VAL A 93 -1.550 -5.333 -14.713 1.00 0.00 H new ATOM 0 HA VAL A 93 1.316 -5.311 -14.472 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.034 -5.166 -12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.539 -6.982 -11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.059 -6.249 -13.300 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.233 -7.825 -13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.856 -7.056 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.263 -7.902 -12.675 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.080 -6.376 -12.261 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.259 -7.907 -15.661 1.00 0.00 N ATOM 1468 CA LYS A 94 -0.093 -9.207 -16.299 1.00 0.00 C ATOM 1469 C LYS A 94 0.988 -9.152 -17.374 1.00 0.00 C ATOM 1470 O LYS A 94 1.700 -10.129 -17.604 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.416 -9.670 -16.913 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.603 -11.177 -16.890 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.029 -11.665 -15.515 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.771 -12.990 -15.599 1.00 0.00 C ATOM 1475 NZ LYS A 94 -4.233 -12.794 -15.809 1.00 0.00 N ATOM 0 H LYS A 94 -1.197 -7.515 -15.741 1.00 0.00 H new ATOM 0 HA LYS A 94 0.215 -9.921 -15.536 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.240 -9.202 -16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.470 -9.321 -17.944 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.353 -11.463 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.672 -11.665 -17.178 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.151 -11.778 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.668 -10.918 -15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.363 -13.584 -16.417 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.608 -13.556 -14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.703 -13.720 -15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.628 -12.249 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.390 -12.276 -16.697 1.00 0.00 H new ATOM 1489 N LYS A 95 1.105 -8.002 -18.029 1.00 0.00 N ATOM 1490 CA LYS A 95 2.100 -7.817 -19.079 1.00 0.00 C ATOM 1491 C LYS A 95 3.513 -7.875 -18.505 1.00 0.00 C ATOM 1492 O LYS A 95 4.460 -8.244 -19.199 1.00 0.00 O ATOM 1493 CB LYS A 95 1.881 -6.479 -19.788 1.00 0.00 C ATOM 1494 CG LYS A 95 2.993 -6.114 -20.757 1.00 0.00 C ATOM 1495 CD LYS A 95 2.665 -4.848 -21.530 1.00 0.00 C ATOM 1496 CE LYS A 95 1.875 -5.154 -22.793 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.351 -3.916 -23.433 1.00 0.00 N ATOM 0 H LYS A 95 0.523 -7.184 -17.851 1.00 0.00 H new ATOM 0 HA LYS A 95 1.986 -8.626 -19.800 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.936 -6.515 -20.330 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.790 -5.692 -19.040 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.924 -5.975 -20.208 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.154 -6.936 -21.454 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.092 -4.172 -20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.588 -4.332 -21.793 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.512 -5.686 -23.500 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.044 -5.817 -22.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.819 -4.167 -24.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.723 -3.421 -22.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.145 -3.294 -23.688 1.00 0.00 H new ATOM 1511 N ALA A 96 3.646 -7.509 -17.235 1.00 0.00 N ATOM 1512 CA ALA A 96 4.942 -7.523 -16.568 1.00 0.00 C ATOM 1513 C ALA A 96 5.419 -8.951 -16.324 1.00 0.00 C ATOM 1514 O ALA A 96 6.618 -9.228 -16.346 1.00 0.00 O ATOM 1515 CB ALA A 96 4.868 -6.758 -15.255 1.00 0.00 C ATOM 0 H ALA A 96 2.872 -7.199 -16.647 1.00 0.00 H new ATOM 0 HA ALA A 96 5.664 -7.033 -17.221 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.843 -6.777 -14.768 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.580 -5.725 -15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.128 -7.223 -14.604 1.00 0.00 H new ATOM 1521 N PHE A 97 4.472 -9.854 -16.092 1.00 0.00 N ATOM 1522 CA PHE A 97 4.796 -11.254 -15.842 1.00 0.00 C ATOM 1523 C PHE A 97 5.322 -11.925 -17.108 1.00 0.00 C ATOM 1524 O PHE A 97 6.338 -12.618 -17.079 1.00 0.00 O ATOM 1525 CB PHE A 97 3.563 -12.001 -15.330 1.00 0.00 C ATOM 1526 CG PHE A 97 3.579 -12.238 -13.847 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.219 -11.230 -12.967 1.00 0.00 C ATOM 1528 CD2 PHE A 97 3.952 -13.469 -13.333 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.233 -11.445 -11.602 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.968 -13.690 -11.968 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.607 -12.677 -11.102 1.00 0.00 C ATOM 0 H PHE A 97 3.475 -9.642 -16.072 1.00 0.00 H new ATOM 0 HA PHE A 97 5.576 -11.290 -15.082 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.670 -11.433 -15.589 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.490 -12.960 -15.842 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.924 -10.265 -13.352 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.234 -14.265 -14.006 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.952 -10.650 -10.927 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.263 -14.654 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.617 -12.848 -10.036 1.00 0.00 H new ATOM 1541 N GLU A 98 4.621 -11.712 -18.218 1.00 0.00 N ATOM 1542 CA GLU A 98 5.016 -12.297 -19.494 1.00 0.00 C ATOM 1543 C GLU A 98 6.257 -11.604 -20.049 1.00 0.00 C ATOM 1544 O GLU A 98 7.075 -12.224 -20.727 1.00 0.00 O ATOM 1545 CB GLU A 98 3.870 -12.200 -20.502 1.00 0.00 C ATOM 1546 CG GLU A 98 3.283 -10.804 -20.623 1.00 0.00 C ATOM 1547 CD GLU A 98 2.639 -10.556 -21.974 1.00 0.00 C ATOM 1548 OE1 GLU A 98 1.932 -11.458 -22.469 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.844 -9.460 -22.536 1.00 0.00 O ATOM 0 H GLU A 98 3.778 -11.139 -18.259 1.00 0.00 H new ATOM 0 HA GLU A 98 5.253 -13.348 -19.325 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.229 -12.520 -21.480 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.081 -12.893 -20.210 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.541 -10.657 -19.839 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.070 -10.068 -20.459 1.00 0.00 H new ATOM 1556 N GLN A 99 6.387 -10.314 -19.756 1.00 0.00 N ATOM 1557 CA GLN A 99 7.527 -9.536 -20.228 1.00 0.00 C ATOM 1558 C GLN A 99 8.778 -9.855 -19.415 1.00 0.00 C ATOM 1559 O GLN A 99 9.857 -10.053 -19.972 1.00 0.00 O ATOM 1560 CB GLN A 99 7.219 -8.040 -20.144 1.00 0.00 C ATOM 1561 CG GLN A 99 6.342 -7.535 -21.279 1.00 0.00 C ATOM 1562 CD GLN A 99 7.119 -7.313 -22.562 1.00 0.00 C ATOM 1563 OE1 GLN A 99 8.336 -7.496 -22.604 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.418 -6.915 -23.617 1.00 0.00 N ATOM 0 H GLN A 99 5.718 -9.786 -19.195 1.00 0.00 H new ATOM 0 HA GLN A 99 7.713 -9.805 -21.268 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.726 -7.832 -19.195 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.156 -7.484 -20.145 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.542 -8.253 -21.462 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.868 -6.600 -20.979 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.411 -6.776 -23.537 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.887 -6.748 -24.507 1.00 0.00 H new ATOM 1573 N ALA A 100 8.624 -9.903 -18.096 1.00 0.00 N ATOM 1574 CA ALA A 100 9.741 -10.200 -17.208 1.00 0.00 C ATOM 1575 C ALA A 100 10.412 -11.515 -17.590 1.00 0.00 C ATOM 1576 O ALA A 100 11.633 -11.645 -17.515 1.00 0.00 O ATOM 1577 CB ALA A 100 9.267 -10.247 -15.762 1.00 0.00 C ATOM 0 H ALA A 100 7.737 -9.740 -17.619 1.00 0.00 H new ATOM 0 HA ALA A 100 10.478 -9.403 -17.312 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.111 -10.470 -15.109 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.841 -9.282 -15.487 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.509 -11.023 -15.653 1.00 0.00 H new ATOM 1583 N GLY A 101 9.604 -12.490 -17.999 1.00 0.00 N ATOM 1584 CA GLY A 101 10.138 -13.782 -18.385 1.00 0.00 C ATOM 1585 C GLY A 101 10.963 -13.713 -19.655 1.00 0.00 C ATOM 1586 O GLY A 101 11.771 -14.601 -19.930 1.00 0.00 O ATOM 0 H GLY A 101 8.590 -12.407 -18.069 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.755 -14.173 -17.576 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.316 -14.484 -18.527 1.00 0.00 H new ATOM 1590 N LYS A 102 10.761 -12.655 -20.433 1.00 0.00 N ATOM 1591 CA LYS A 102 11.491 -12.472 -21.681 1.00 0.00 C ATOM 1592 C LYS A 102 12.963 -12.176 -21.412 1.00 0.00 C ATOM 1593 O LYS A 102 13.847 -12.866 -21.919 1.00 0.00 O ATOM 1594 CB LYS A 102 10.872 -11.334 -22.496 1.00 0.00 C ATOM 1595 CG LYS A 102 9.398 -11.537 -22.803 1.00 0.00 C ATOM 1596 CD LYS A 102 8.931 -10.626 -23.926 1.00 0.00 C ATOM 1597 CE LYS A 102 9.151 -11.264 -25.289 1.00 0.00 C ATOM 1598 NZ LYS A 102 8.242 -12.423 -25.511 1.00 0.00 N ATOM 0 H LYS A 102 10.097 -11.911 -20.220 1.00 0.00 H new ATOM 0 HA LYS A 102 11.423 -13.398 -22.252 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.995 -10.399 -21.950 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.419 -11.230 -23.433 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.223 -12.577 -23.080 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.809 -11.343 -21.907 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.873 -10.399 -23.796 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.469 -9.679 -23.875 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.988 -10.520 -26.069 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.187 -11.593 -25.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.143 -12.596 -26.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.639 -13.268 -25.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.308 -12.215 -25.103 1.00 0.00 H new ATOM 1612 N GLU A 103 13.218 -11.146 -20.610 1.00 0.00 N ATOM 1613 CA GLU A 103 14.584 -10.761 -20.274 1.00 0.00 C ATOM 1614 C GLU A 103 15.193 -11.737 -19.272 1.00 0.00 C ATOM 1615 O GLU A 103 16.365 -12.102 -19.378 1.00 0.00 O ATOM 1616 CB GLU A 103 14.610 -9.342 -19.701 1.00 0.00 C ATOM 1617 CG GLU A 103 13.746 -9.169 -18.464 1.00 0.00 C ATOM 1618 CD GLU A 103 13.725 -7.739 -17.962 1.00 0.00 C ATOM 1619 OE1 GLU A 103 14.666 -7.351 -17.238 1.00 0.00 O ATOM 1620 OE2 GLU A 103 12.768 -7.007 -18.292 1.00 0.00 O ATOM 0 H GLU A 103 12.498 -10.564 -20.182 1.00 0.00 H new ATOM 0 HA GLU A 103 15.178 -10.788 -21.188 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.638 -9.077 -19.455 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.276 -8.643 -20.468 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.728 -9.486 -18.690 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.115 -9.822 -17.673 1.00 0.00 H new ATOM 1627 N LEU A 104 14.391 -12.156 -18.300 1.00 0.00 N ATOM 1628 CA LEU A 104 14.850 -13.090 -17.278 1.00 0.00 C ATOM 1629 C LEU A 104 15.083 -14.476 -17.872 1.00 0.00 C ATOM 1630 O LEU A 104 15.802 -15.294 -17.300 1.00 0.00 O ATOM 1631 CB LEU A 104 13.831 -13.175 -16.141 1.00 0.00 C ATOM 1632 CG LEU A 104 13.716 -11.939 -15.248 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.308 -11.813 -14.689 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.737 -11.999 -14.121 1.00 0.00 C ATOM 0 H LEU A 104 13.419 -11.864 -18.198 1.00 0.00 H new ATOM 0 HA LEU A 104 15.796 -12.720 -16.882 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.851 -13.379 -16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.087 -14.029 -15.514 1.00 0.00 H new ATOM 0 HG LEU A 104 13.924 -11.056 -15.853 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.246 -10.928 -14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.597 -11.723 -15.510 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.070 -12.698 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.641 -11.112 -13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.561 -12.889 -13.517 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.742 -12.039 -14.542 1.00 0.00 H new ATOM 1646 N GLY A 105 14.471 -14.731 -19.024 1.00 0.00 N ATOM 1647 CA GLY A 105 14.626 -16.018 -19.677 1.00 0.00 C ATOM 1648 C GLY A 105 13.765 -17.095 -19.048 1.00 0.00 C ATOM 1649 O GLY A 105 13.780 -18.246 -19.486 1.00 0.00 O ATOM 0 H GLY A 105 13.871 -14.070 -19.517 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.368 -15.920 -20.731 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.672 -16.321 -19.632 1.00 0.00 H new ATOM 1653 N ILE A 106 13.015 -16.723 -18.016 1.00 0.00 N ATOM 1654 CA ILE A 106 12.145 -17.666 -17.325 1.00 0.00 C ATOM 1655 C ILE A 106 10.796 -17.785 -18.026 1.00 0.00 C ATOM 1656 O ILE A 106 10.134 -16.783 -18.296 1.00 0.00 O ATOM 1657 CB ILE A 106 11.916 -17.251 -15.860 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.122 -17.638 -15.002 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.647 -17.894 -15.320 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.120 -16.516 -14.822 1.00 0.00 C ATOM 0 H ILE A 106 12.993 -15.775 -17.640 1.00 0.00 H new ATOM 0 HA ILE A 106 12.648 -18.633 -17.345 1.00 0.00 H new ATOM 0 HB ILE A 106 11.798 -16.168 -15.819 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.772 -17.962 -14.022 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.624 -18.490 -15.459 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.498 -17.591 -14.283 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.794 -17.573 -15.918 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.738 -18.979 -15.372 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.948 -16.862 -14.203 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.499 -16.206 -15.796 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.633 -15.670 -14.337 1.00 0.00 H new ATOM 1672 N LYS A 107 10.392 -19.017 -18.315 1.00 0.00 N ATOM 1673 CA LYS A 107 9.120 -19.269 -18.982 1.00 0.00 C ATOM 1674 C LYS A 107 7.960 -18.688 -18.178 1.00 0.00 C ATOM 1675 O LYS A 107 7.993 -18.670 -16.947 1.00 0.00 O ATOM 1676 CB LYS A 107 8.914 -20.772 -19.181 1.00 0.00 C ATOM 1677 CG LYS A 107 9.401 -21.280 -20.527 1.00 0.00 C ATOM 1678 CD LYS A 107 10.899 -21.533 -20.519 1.00 0.00 C ATOM 1679 CE LYS A 107 11.673 -20.312 -20.992 1.00 0.00 C ATOM 1680 NZ LYS A 107 11.914 -20.343 -22.461 1.00 0.00 N ATOM 0 H LYS A 107 10.927 -19.857 -18.098 1.00 0.00 H new ATOM 0 HA LYS A 107 9.145 -18.780 -19.956 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.435 -21.310 -18.389 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.854 -21.002 -19.078 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.877 -22.202 -20.780 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.158 -20.552 -21.301 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.219 -21.800 -19.512 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.129 -22.383 -21.162 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.120 -19.409 -20.734 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.628 -20.262 -20.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.444 -19.494 -22.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.464 -21.192 -22.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.003 -20.365 -22.962 1.00 0.00 H new ATOM 1694 N LEU A 108 6.937 -18.216 -18.882 1.00 0.00 N ATOM 1695 CA LEU A 108 5.766 -17.636 -18.234 1.00 0.00 C ATOM 1696 C LEU A 108 4.642 -17.410 -19.240 1.00 0.00 C ATOM 1697 O LEU A 108 4.836 -16.756 -20.265 1.00 0.00 O ATOM 1698 CB LEU A 108 6.135 -16.314 -17.559 1.00 0.00 C ATOM 1699 CG LEU A 108 5.305 -15.931 -16.333 1.00 0.00 C ATOM 1700 CD1 LEU A 108 3.819 -16.025 -16.644 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.661 -16.819 -15.149 1.00 0.00 C ATOM 0 H LEU A 108 6.895 -18.224 -19.901 1.00 0.00 H new ATOM 0 HA LEU A 108 5.415 -18.338 -17.478 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.183 -16.360 -17.263 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.047 -15.516 -18.296 1.00 0.00 H new ATOM 0 HG LEU A 108 5.536 -14.899 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.244 -15.749 -15.760 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.575 -15.347 -17.462 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.572 -17.046 -16.933 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.061 -16.532 -14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.459 -17.860 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.718 -16.702 -14.911 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.608 -17.970 -13.292 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.592 -18.927 -12.867 1.00 0.00 C ATOM 2064 C HIS A 133 -1.423 -18.948 -13.847 1.00 0.00 C ATOM 2065 O HIS A 133 -1.601 -19.205 -15.037 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.198 -20.326 -12.748 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.235 -21.354 -12.238 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.362 -21.116 -11.198 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.012 -22.630 -12.631 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.642 -22.201 -10.974 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.018 -23.135 -11.829 1.00 0.00 N ATOM 0 HA HIS A 133 -2.220 -18.616 -11.891 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.059 -20.284 -12.081 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.566 -20.638 -13.725 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.284 -20.240 -10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.521 -23.153 -13.427 1.00 0.00 H new ATOM 0 HE1 HIS A 133 0.124 -22.306 -10.220 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.226 -18.674 -13.337 1.00 0.00 N ATOM 2080 CA VAL A 134 0.973 -18.661 -14.167 1.00 0.00 C ATOM 2081 C VAL A 134 1.762 -19.957 -14.013 1.00 0.00 C ATOM 2082 O VAL A 134 1.983 -20.432 -12.900 1.00 0.00 O ATOM 2083 CB VAL A 134 1.887 -17.473 -13.814 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.100 -16.172 -13.827 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.548 -17.692 -12.462 1.00 0.00 C ATOM 0 H VAL A 134 -0.061 -18.458 -12.354 1.00 0.00 H new ATOM 0 HA VAL A 134 0.641 -18.561 -15.200 1.00 0.00 H new ATOM 0 HB VAL A 134 2.671 -17.404 -14.568 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.762 -15.344 -13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.679 -16.011 -14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.294 -16.227 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.190 -16.843 -12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.781 -17.789 -11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.147 -18.602 -12.493 1.00 0.00 H new ATOM 2095 N GLU A 135 2.183 -20.524 -15.139 1.00 0.00 N ATOM 2096 CA GLU A 135 2.947 -21.766 -15.129 1.00 0.00 C ATOM 2097 C GLU A 135 4.092 -21.709 -16.136 1.00 0.00 C ATOM 2098 O GLU A 135 4.149 -20.812 -16.978 1.00 0.00 O ATOM 2099 CB GLU A 135 2.035 -22.954 -15.444 1.00 0.00 C ATOM 2100 CG GLU A 135 1.445 -22.914 -16.844 1.00 0.00 C ATOM 2101 CD GLU A 135 0.239 -22.000 -16.942 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.811 -22.337 -16.357 1.00 0.00 O ATOM 2103 OE2 GLU A 135 0.346 -20.946 -17.605 1.00 0.00 O ATOM 0 H GLU A 135 2.008 -20.143 -16.069 1.00 0.00 H new ATOM 0 HA GLU A 135 3.369 -21.895 -14.132 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.601 -23.878 -15.324 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.223 -22.981 -14.717 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.208 -22.579 -17.547 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.157 -23.922 -17.142 1.00 0.00 H new ATOM 2110 N LEU A 136 5.003 -22.671 -16.042 1.00 0.00 N ATOM 2111 CA LEU A 136 6.149 -22.731 -16.943 1.00 0.00 C ATOM 2112 C LEU A 136 5.804 -23.507 -18.211 1.00 0.00 C ATOM 2113 O LEU A 136 5.657 -24.729 -18.182 1.00 0.00 O ATOM 2114 CB LEU A 136 7.342 -23.382 -16.241 1.00 0.00 C ATOM 2115 CG LEU A 136 7.951 -22.593 -15.082 1.00 0.00 C ATOM 2116 CD1 LEU A 136 9.225 -23.263 -14.591 1.00 0.00 C ATOM 2117 CD2 LEU A 136 8.230 -21.157 -15.504 1.00 0.00 C ATOM 0 H LEU A 136 4.971 -23.420 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 136 6.413 -21.711 -17.223 1.00 0.00 H new ATOM 0 HB2 LEU A 136 7.030 -24.357 -15.866 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.121 -23.560 -16.982 1.00 0.00 H new ATOM 0 HG LEU A 136 7.234 -22.577 -14.261 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.644 -22.687 -13.766 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.997 -24.273 -14.250 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.948 -23.310 -15.405 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.663 -20.609 -14.667 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.928 -21.153 -16.341 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.298 -20.679 -15.807 1.00 0.00 H new ATOM 2129 N VAL A 137 5.679 -22.790 -19.322 1.00 0.00 N ATOM 2130 CA VAL A 137 5.356 -23.411 -20.601 1.00 0.00 C ATOM 2131 C VAL A 137 6.618 -23.712 -21.401 1.00 0.00 C ATOM 2132 O VAL A 137 6.566 -23.717 -22.630 1.00 0.00 O ATOM 2133 CB VAL A 137 4.430 -22.513 -21.443 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.049 -22.429 -20.812 1.00 0.00 C ATOM 2135 CG2 VAL A 137 5.036 -21.127 -21.605 1.00 0.00 C ATOM 0 H VAL A 137 5.797 -21.778 -19.363 1.00 0.00 H new ATOM 0 HA VAL A 137 4.840 -24.345 -20.377 1.00 0.00 H new ATOM 0 HB VAL A 137 4.324 -22.957 -22.433 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.409 -21.790 -21.421 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.615 -23.427 -20.753 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.132 -22.009 -19.809 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.369 -20.506 -22.202 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.173 -20.673 -20.624 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.001 -21.208 -22.105 1.00 0.00 H new