USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 35 MET CE :methyl -153:sc= -7! (180deg=-10.8!) USER MOD Set 1.2: A 128 GLN : amide:sc= -1.26! C(o=-8.3!,f=-11!) USER MOD Single : A 9 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.002) USER MOD Single : A 17 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -32:sc= 0.824 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.87 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 38 ASN : amide:sc= -0.254 K(o=-0.25,f=-5.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 39:sc= 0.133 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0174 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.011) USER MOD Single : A 61 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.5) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.0061) USER MOD Single : A 106 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A 109 ASN : amide:sc= 0.242 K(o=0.24,f=-0.5) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-1.6) USER MOD Single : A 118 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.8!) USER MOD Single : A 119 ASN : amide:sc= -0.523 K(o=-0.52,f=-3.1!) USER MOD Single : A 122 CYS SG : rot -99:sc= 0.519 USER MOD Single : A 124 HIS : +bothHN:sc= -3.88 K(o=-3.9,f=-9!) USER MOD Single : A 125 MET CE :methyl -158:sc= -0.869 (180deg=-3.14!) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -22.819 -11.143 -11.734 1.00 0.00 N ATOM 78 CA ASN A 9 -22.222 -10.592 -10.529 1.00 0.00 C ATOM 79 C ASN A 9 -20.918 -9.879 -10.891 1.00 0.00 C ATOM 80 O ASN A 9 -20.227 -10.278 -11.828 1.00 0.00 O ATOM 81 CB ASN A 9 -21.894 -11.697 -9.522 1.00 0.00 C ATOM 82 CG ASN A 9 -21.305 -12.921 -10.225 1.00 0.00 C ATOM 83 OD1 ASN A 9 -22.006 -13.836 -10.625 1.00 0.00 O ATOM 84 ND2 ASN A 9 -19.981 -12.888 -10.353 1.00 0.00 N ATOM 0 HA ASN A 9 -22.937 -9.900 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.186 -11.322 -8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.797 -11.982 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.493 -13.659 -10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.454 -12.091 -9.996 1.00 0.00 H new ATOM 91 N PHE A 10 -20.619 -8.837 -10.129 1.00 0.00 N ATOM 92 CA PHE A 10 -19.410 -8.065 -10.358 1.00 0.00 C ATOM 93 C PHE A 10 -18.981 -7.328 -9.087 1.00 0.00 C ATOM 94 O PHE A 10 -19.758 -6.564 -8.516 1.00 0.00 O ATOM 95 CB PHE A 10 -19.734 -7.037 -11.444 1.00 0.00 C ATOM 96 CG PHE A 10 -20.436 -5.781 -10.923 1.00 0.00 C ATOM 97 CD1 PHE A 10 -19.702 -4.724 -10.484 1.00 0.00 C ATOM 98 CD2 PHE A 10 -21.795 -5.723 -10.899 1.00 0.00 C ATOM 99 CE1 PHE A 10 -20.354 -3.559 -10.001 1.00 0.00 C ATOM 100 CE2 PHE A 10 -22.447 -4.557 -10.416 1.00 0.00 C ATOM 101 CZ PHE A 10 -21.713 -3.500 -9.977 1.00 0.00 C ATOM 0 H PHE A 10 -21.193 -8.510 -9.352 1.00 0.00 H new ATOM 0 HA PHE A 10 -18.597 -8.727 -10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -18.809 -6.744 -11.940 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -20.365 -7.507 -12.198 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.623 -4.771 -10.503 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -22.378 -6.563 -11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.771 -2.719 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -23.526 -4.510 -10.397 1.00 0.00 H new ATOM 0 HZ PHE A 10 -22.209 -2.614 -9.609 1.00 0.00 H new ATOM 111 N LEU A 11 -17.746 -7.584 -8.681 1.00 0.00 N ATOM 112 CA LEU A 11 -17.205 -6.955 -7.488 1.00 0.00 C ATOM 113 C LEU A 11 -15.907 -6.228 -7.845 1.00 0.00 C ATOM 114 O LEU A 11 -14.924 -6.859 -8.232 1.00 0.00 O ATOM 115 CB LEU A 11 -17.047 -7.982 -6.365 1.00 0.00 C ATOM 116 CG LEU A 11 -16.125 -7.579 -5.213 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.934 -7.104 -4.004 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.169 -8.717 -4.851 1.00 0.00 C ATOM 0 H LEU A 11 -17.105 -8.218 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.897 -6.204 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -18.034 -8.198 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.671 -8.909 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.514 -6.739 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.255 -6.823 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.538 -6.242 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.587 -7.908 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.525 -8.404 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.744 -9.592 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.556 -8.967 -5.717 1.00 0.00 H new ATOM 130 N GLU A 12 -15.944 -4.912 -7.702 1.00 0.00 N ATOM 131 CA GLU A 12 -14.783 -4.093 -8.004 1.00 0.00 C ATOM 132 C GLU A 12 -14.600 -3.015 -6.933 1.00 0.00 C ATOM 133 O GLU A 12 -15.549 -2.662 -6.235 1.00 0.00 O ATOM 134 CB GLU A 12 -14.899 -3.468 -9.396 1.00 0.00 C ATOM 135 CG GLU A 12 -14.919 -4.547 -10.480 1.00 0.00 C ATOM 136 CD GLU A 12 -13.672 -4.461 -11.362 1.00 0.00 C ATOM 137 OE1 GLU A 12 -13.710 -3.662 -12.323 1.00 0.00 O ATOM 138 OE2 GLU A 12 -12.708 -5.196 -11.056 1.00 0.00 O ATOM 0 H GLU A 12 -16.761 -4.392 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.901 -4.734 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.809 -2.870 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.061 -2.792 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.974 -5.532 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.812 -4.434 -11.095 1.00 0.00 H new ATOM 145 N ILE A 13 -13.374 -2.523 -6.837 1.00 0.00 N ATOM 146 CA ILE A 13 -13.054 -1.493 -5.863 1.00 0.00 C ATOM 147 C ILE A 13 -12.175 -0.429 -6.523 1.00 0.00 C ATOM 148 O ILE A 13 -11.583 -0.671 -7.573 1.00 0.00 O ATOM 149 CB ILE A 13 -12.434 -2.114 -4.610 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.467 -2.934 -3.835 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.778 -1.044 -3.735 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.947 -4.344 -3.550 1.00 0.00 C ATOM 0 H ILE A 13 -12.590 -2.819 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.961 -0.992 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.648 -2.801 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.704 -2.433 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.393 -2.993 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.345 -1.512 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.993 -0.542 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.528 -0.314 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.701 -4.905 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.734 -4.851 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.034 -4.282 -2.957 1.00 0.00 H new ATOM 164 N ASP A 14 -12.116 0.727 -5.878 1.00 0.00 N ATOM 165 CA ASP A 14 -11.319 1.829 -6.389 1.00 0.00 C ATOM 166 C ASP A 14 -10.669 2.569 -5.217 1.00 0.00 C ATOM 167 O ASP A 14 -11.249 2.657 -4.136 1.00 0.00 O ATOM 168 CB ASP A 14 -12.187 2.829 -7.156 1.00 0.00 C ATOM 169 CG ASP A 14 -12.596 2.385 -8.561 1.00 0.00 C ATOM 170 OD1 ASP A 14 -12.416 1.182 -8.852 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.080 3.258 -9.314 1.00 0.00 O ATOM 0 H ASP A 14 -12.607 0.924 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.566 1.417 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.089 3.024 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.647 3.773 -7.232 1.00 0.00 H new ATOM 176 N ILE A 15 -9.474 3.081 -5.472 1.00 0.00 N ATOM 177 CA ILE A 15 -8.739 3.809 -4.452 1.00 0.00 C ATOM 178 C ILE A 15 -8.257 5.141 -5.031 1.00 0.00 C ATOM 179 O ILE A 15 -7.283 5.179 -5.782 1.00 0.00 O ATOM 180 CB ILE A 15 -7.614 2.944 -3.880 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.146 1.581 -3.431 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.880 3.673 -2.753 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.309 1.019 -2.280 1.00 0.00 C ATOM 0 H ILE A 15 -8.997 3.006 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.389 4.043 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.887 2.762 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.185 1.678 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.130 0.886 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.086 3.036 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.449 4.597 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.582 3.906 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.708 0.050 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.275 0.901 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.347 1.705 -1.434 1.00 0.00 H new ATOM 195 N PHE A 16 -8.960 6.201 -4.660 1.00 0.00 N ATOM 196 CA PHE A 16 -8.616 7.531 -5.133 1.00 0.00 C ATOM 197 C PHE A 16 -9.043 8.599 -4.124 1.00 0.00 C ATOM 198 O PHE A 16 -9.495 8.276 -3.026 1.00 0.00 O ATOM 199 CB PHE A 16 -9.376 7.750 -6.442 1.00 0.00 C ATOM 200 CG PHE A 16 -10.897 7.793 -6.280 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.510 8.954 -5.926 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.635 6.670 -6.489 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.922 8.994 -5.775 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.046 6.710 -6.338 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.660 7.871 -5.984 1.00 0.00 C ATOM 0 H PHE A 16 -9.767 6.166 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.538 7.610 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.042 8.685 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.118 6.952 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.924 9.846 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.148 5.748 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.409 9.916 -5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.632 5.818 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.733 7.901 -5.869 1.00 0.00 H new ATOM 215 N ASN A 17 -8.884 9.849 -4.531 1.00 0.00 N ATOM 216 CA ASN A 17 -9.247 10.967 -3.677 1.00 0.00 C ATOM 217 C ASN A 17 -8.301 11.013 -2.475 1.00 0.00 C ATOM 218 O ASN A 17 -8.735 10.866 -1.333 1.00 0.00 O ATOM 219 CB ASN A 17 -10.675 10.815 -3.149 1.00 0.00 C ATOM 220 CG ASN A 17 -11.610 11.840 -3.794 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.187 12.836 -4.358 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.901 11.541 -3.682 1.00 0.00 N ATOM 0 H ASN A 17 -8.508 10.113 -5.442 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.176 11.880 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.037 9.808 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.682 10.942 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.605 12.162 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.187 10.691 -3.197 1.00 0.00 H new ATOM 229 N PRO A 18 -6.993 11.223 -2.781 1.00 0.00 N ATOM 230 CA PRO A 18 -5.982 11.290 -1.740 1.00 0.00 C ATOM 231 C PRO A 18 -6.056 12.621 -0.989 1.00 0.00 C ATOM 232 O PRO A 18 -5.634 13.654 -1.507 1.00 0.00 O ATOM 233 CB PRO A 18 -4.660 11.088 -2.461 1.00 0.00 C ATOM 234 CG PRO A 18 -4.936 11.379 -3.927 1.00 0.00 C ATOM 235 CD PRO A 18 -6.443 11.401 -4.122 1.00 0.00 C ATOM 0 HA PRO A 18 -6.120 10.531 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.894 11.757 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.294 10.070 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.500 12.336 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.480 10.617 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.772 12.342 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.767 10.605 -4.792 1.00 0.00 H new ATOM 243 N GLN A 19 -6.595 12.554 0.220 1.00 0.00 N ATOM 244 CA GLN A 19 -6.730 13.741 1.047 1.00 0.00 C ATOM 245 C GLN A 19 -5.574 13.825 2.046 1.00 0.00 C ATOM 246 O GLN A 19 -5.428 12.958 2.906 1.00 0.00 O ATOM 247 CB GLN A 19 -8.080 13.757 1.767 1.00 0.00 C ATOM 248 CG GLN A 19 -8.740 15.133 1.664 1.00 0.00 C ATOM 249 CD GLN A 19 -9.975 15.218 2.562 1.00 0.00 C ATOM 250 OE1 GLN A 19 -11.094 14.964 2.148 1.00 0.00 O ATOM 251 NE2 GLN A 19 -9.711 15.588 3.812 1.00 0.00 N ATOM 0 H GLN A 19 -6.943 11.695 0.647 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.690 14.618 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.736 13.002 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.940 13.494 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.025 15.905 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.024 15.327 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.751 15.786 4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.469 15.674 4.489 1.00 0.00 H new ATOM 260 N THR A 20 -4.782 14.877 1.898 1.00 0.00 N ATOM 261 CA THR A 20 -3.644 15.086 2.777 1.00 0.00 C ATOM 262 C THR A 20 -4.033 15.991 3.948 1.00 0.00 C ATOM 263 O THR A 20 -4.975 16.776 3.845 1.00 0.00 O ATOM 264 CB THR A 20 -2.493 15.642 1.936 1.00 0.00 C ATOM 265 OG1 THR A 20 -2.383 14.726 0.850 1.00 0.00 O ATOM 266 CG2 THR A 20 -1.144 15.539 2.649 1.00 0.00 C ATOM 0 H THR A 20 -4.906 15.594 1.183 1.00 0.00 H new ATOM 0 HA THR A 20 -3.315 14.149 3.227 1.00 0.00 H new ATOM 0 HB THR A 20 -2.694 16.685 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.660 15.012 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.362 15.947 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.181 16.103 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.926 14.493 2.866 1.00 0.00 H new ATOM 412 N THR A 30 -5.289 9.994 3.166 1.00 0.00 N ATOM 413 CA THR A 30 -6.355 9.011 3.240 1.00 0.00 C ATOM 414 C THR A 30 -6.918 8.728 1.846 1.00 0.00 C ATOM 415 O THR A 30 -7.288 9.652 1.123 1.00 0.00 O ATOM 416 CB THR A 30 -7.406 9.526 4.226 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.520 10.913 3.919 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.910 9.505 5.674 1.00 0.00 C ATOM 0 HA THR A 30 -5.985 8.054 3.607 1.00 0.00 H new ATOM 0 HB THR A 30 -8.309 8.922 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.654 11.252 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.693 9.880 6.332 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.656 8.483 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.026 10.137 5.765 1.00 0.00 H new ATOM 426 N TYR A 31 -6.965 7.447 1.510 1.00 0.00 N ATOM 427 CA TYR A 31 -7.477 7.031 0.215 1.00 0.00 C ATOM 428 C TYR A 31 -8.918 6.531 0.330 1.00 0.00 C ATOM 429 O TYR A 31 -9.229 5.717 1.198 1.00 0.00 O ATOM 430 CB TYR A 31 -6.583 5.875 -0.239 1.00 0.00 C ATOM 431 CG TYR A 31 -5.143 6.287 -0.548 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.875 7.106 -1.626 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.111 5.839 0.251 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.519 7.494 -1.917 1.00 0.00 C ATOM 435 CE2 TYR A 31 -2.754 6.227 -0.040 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.526 7.035 -1.110 1.00 0.00 C ATOM 437 OH TYR A 31 -1.245 7.401 -1.384 1.00 0.00 O ATOM 0 H TYR A 31 -6.657 6.683 2.112 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.471 7.865 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.573 5.110 0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.019 5.420 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.683 7.456 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.320 5.198 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.296 8.135 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.937 5.884 0.577 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.642 7.000 -0.724 1.00 0.00 H new ATOM 447 N GLU A 32 -9.760 7.039 -0.558 1.00 0.00 N ATOM 448 CA GLU A 32 -11.161 6.654 -0.567 1.00 0.00 C ATOM 449 C GLU A 32 -11.327 5.272 -1.203 1.00 0.00 C ATOM 450 O GLU A 32 -11.020 5.085 -2.379 1.00 0.00 O ATOM 451 CB GLU A 32 -12.011 7.698 -1.294 1.00 0.00 C ATOM 452 CG GLU A 32 -12.314 8.889 -0.382 1.00 0.00 C ATOM 453 CD GLU A 32 -11.071 9.305 0.407 1.00 0.00 C ATOM 454 OE1 GLU A 32 -10.650 8.502 1.267 1.00 0.00 O ATOM 455 OE2 GLU A 32 -10.571 10.418 0.133 1.00 0.00 O ATOM 0 H GLU A 32 -9.499 7.714 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.511 6.602 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.487 8.042 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.944 7.244 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.668 9.729 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.117 8.629 0.308 1.00 0.00 H new ATOM 462 N VAL A 33 -11.814 4.340 -0.397 1.00 0.00 N ATOM 463 CA VAL A 33 -12.026 2.981 -0.866 1.00 0.00 C ATOM 464 C VAL A 33 -13.474 2.828 -1.336 1.00 0.00 C ATOM 465 O VAL A 33 -14.382 2.679 -0.520 1.00 0.00 O ATOM 466 CB VAL A 33 -11.644 1.984 0.230 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.678 0.549 -0.298 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.273 2.318 0.822 1.00 0.00 C ATOM 0 H VAL A 33 -12.068 4.499 0.578 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.383 2.767 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.382 2.065 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.403 -0.139 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.683 0.314 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.973 0.448 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.026 1.594 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.518 2.279 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.297 3.319 1.253 1.00 0.00 H new ATOM 478 N ARG A 34 -13.643 2.870 -2.649 1.00 0.00 N ATOM 479 CA ARG A 34 -14.966 2.737 -3.237 1.00 0.00 C ATOM 480 C ARG A 34 -15.178 1.311 -3.749 1.00 0.00 C ATOM 481 O ARG A 34 -14.600 0.918 -4.761 1.00 0.00 O ATOM 482 CB ARG A 34 -15.155 3.720 -4.394 1.00 0.00 C ATOM 483 CG ARG A 34 -16.618 3.768 -4.839 1.00 0.00 C ATOM 484 CD ARG A 34 -16.852 4.909 -5.832 1.00 0.00 C ATOM 485 NE ARG A 34 -17.208 6.148 -5.105 1.00 0.00 N ATOM 486 CZ ARG A 34 -17.615 7.277 -5.699 1.00 0.00 C ATOM 487 NH1 ARG A 34 -17.720 7.331 -7.034 1.00 0.00 N ATOM 488 NH2 ARG A 34 -17.916 8.353 -4.960 1.00 0.00 N ATOM 0 H ARG A 34 -12.887 2.994 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.698 2.961 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.832 4.715 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.525 3.425 -5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.893 2.819 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.262 3.900 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.954 5.073 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.650 4.642 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.139 6.142 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.490 6.512 -7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.030 8.191 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.835 8.313 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.226 9.213 -5.413 1.00 0.00 H new ATOM 502 N MET A 35 -16.010 0.575 -3.026 1.00 0.00 N ATOM 503 CA MET A 35 -16.306 -0.799 -3.394 1.00 0.00 C ATOM 504 C MET A 35 -17.727 -0.925 -3.945 1.00 0.00 C ATOM 505 O MET A 35 -18.641 -0.249 -3.476 1.00 0.00 O ATOM 506 CB MET A 35 -16.152 -1.701 -2.167 1.00 0.00 C ATOM 507 CG MET A 35 -16.444 -3.161 -2.520 1.00 0.00 C ATOM 508 SD MET A 35 -16.964 -4.049 -1.062 1.00 0.00 S ATOM 509 CE MET A 35 -18.678 -4.338 -1.469 1.00 0.00 C ATOM 0 H MET A 35 -16.488 0.905 -2.187 1.00 0.00 H new ATOM 0 HA MET A 35 -15.606 -1.106 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.140 -1.614 -1.772 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.831 -1.370 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 35 -17.221 -3.211 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 35 -15.553 -3.627 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.259 -4.430 -0.552 1.00 0.00 H new ATOM 0 HE2 MET A 35 -19.058 -3.503 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.765 -5.258 -2.047 1.00 0.00 H new ATOM 519 N ARG A 36 -17.869 -1.795 -4.935 1.00 0.00 N ATOM 520 CA ARG A 36 -19.164 -2.018 -5.555 1.00 0.00 C ATOM 521 C ARG A 36 -19.390 -3.513 -5.790 1.00 0.00 C ATOM 522 O ARG A 36 -18.473 -4.227 -6.194 1.00 0.00 O ATOM 523 CB ARG A 36 -19.270 -1.277 -6.890 1.00 0.00 C ATOM 524 CG ARG A 36 -20.131 -0.020 -6.753 1.00 0.00 C ATOM 525 CD ARG A 36 -20.086 0.818 -8.032 1.00 0.00 C ATOM 526 NE ARG A 36 -20.897 0.174 -9.088 1.00 0.00 N ATOM 527 CZ ARG A 36 -21.268 0.779 -10.225 1.00 0.00 C ATOM 528 NH1 ARG A 36 -20.902 2.046 -10.459 1.00 0.00 N ATOM 529 NH2 ARG A 36 -22.004 0.116 -11.128 1.00 0.00 N ATOM 0 H ARG A 36 -17.109 -2.353 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.927 -1.634 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.274 -1.004 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.701 -1.937 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -21.161 -0.302 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.779 0.576 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.464 1.821 -7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.055 0.927 -8.369 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.193 -0.791 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.341 2.550 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.184 2.507 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.282 -0.849 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.286 0.577 -11.993 1.00 0.00 H new ATOM 543 N THR A 37 -20.616 -3.942 -5.527 1.00 0.00 N ATOM 544 CA THR A 37 -20.973 -5.339 -5.705 1.00 0.00 C ATOM 545 C THR A 37 -22.492 -5.512 -5.645 1.00 0.00 C ATOM 546 O THR A 37 -23.213 -4.584 -5.282 1.00 0.00 O ATOM 547 CB THR A 37 -20.226 -6.156 -4.649 1.00 0.00 C ATOM 548 OG1 THR A 37 -20.232 -7.483 -5.169 1.00 0.00 O ATOM 549 CG2 THR A 37 -21.004 -6.267 -3.336 1.00 0.00 C ATOM 0 H THR A 37 -21.374 -3.347 -5.192 1.00 0.00 H new ATOM 0 HA THR A 37 -20.674 -5.702 -6.688 1.00 0.00 H new ATOM 0 HB THR A 37 -19.255 -5.700 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.766 -8.080 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.430 -6.856 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 37 -21.176 -5.270 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.962 -6.753 -3.521 1.00 0.00 H new ATOM 557 N ASN A 38 -22.934 -6.708 -6.007 1.00 0.00 N ATOM 558 CA ASN A 38 -24.354 -7.015 -5.999 1.00 0.00 C ATOM 559 C ASN A 38 -24.585 -8.320 -5.234 1.00 0.00 C ATOM 560 O ASN A 38 -25.687 -8.867 -5.252 1.00 0.00 O ATOM 561 CB ASN A 38 -24.886 -7.199 -7.421 1.00 0.00 C ATOM 562 CG ASN A 38 -24.294 -8.452 -8.070 1.00 0.00 C ATOM 563 OD1 ASN A 38 -23.150 -8.815 -7.849 1.00 0.00 O ATOM 564 ND2 ASN A 38 -25.134 -9.091 -8.879 1.00 0.00 N ATOM 0 H ASN A 38 -22.333 -7.476 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.876 -6.184 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.973 -7.275 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.640 -6.323 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -24.834 -9.939 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -26.079 -8.733 -9.020 1.00 0.00 H new ATOM 571 N LEU A 39 -23.529 -8.780 -4.581 1.00 0.00 N ATOM 572 CA LEU A 39 -23.603 -10.011 -3.811 1.00 0.00 C ATOM 573 C LEU A 39 -24.257 -9.723 -2.459 1.00 0.00 C ATOM 574 O LEU A 39 -24.186 -8.603 -1.956 1.00 0.00 O ATOM 575 CB LEU A 39 -22.221 -10.658 -3.701 1.00 0.00 C ATOM 576 CG LEU A 39 -21.399 -10.708 -4.991 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.999 -11.265 -4.727 1.00 0.00 C ATOM 578 CD2 LEU A 39 -22.133 -11.495 -6.078 1.00 0.00 C ATOM 0 H LEU A 39 -22.617 -8.323 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 39 -24.232 -10.742 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.647 -10.117 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.347 -11.677 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 39 -21.276 -9.689 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.436 -11.290 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.483 -10.628 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.079 -12.275 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -21.527 -11.515 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -22.307 -12.515 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -23.089 -11.016 -6.291 1.00 0.00 H new ATOM 590 N PRO A 40 -24.896 -10.782 -1.892 1.00 0.00 N ATOM 591 CA PRO A 40 -25.562 -10.654 -0.607 1.00 0.00 C ATOM 592 C PRO A 40 -24.546 -10.612 0.535 1.00 0.00 C ATOM 593 O PRO A 40 -24.727 -9.877 1.505 1.00 0.00 O ATOM 594 CB PRO A 40 -26.496 -11.850 -0.528 1.00 0.00 C ATOM 595 CG PRO A 40 -25.984 -12.848 -1.553 1.00 0.00 C ATOM 596 CD PRO A 40 -25.001 -12.124 -2.458 1.00 0.00 C ATOM 0 HA PRO A 40 -26.120 -9.723 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.493 -12.282 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.523 -11.558 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.499 -13.689 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.811 -13.255 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -24.033 -12.625 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.359 -12.093 -3.487 1.00 0.00 H new ATOM 604 N ILE A 41 -23.499 -11.410 0.383 1.00 0.00 N ATOM 605 CA ILE A 41 -22.454 -11.473 1.391 1.00 0.00 C ATOM 606 C ILE A 41 -22.204 -10.071 1.949 1.00 0.00 C ATOM 607 O ILE A 41 -22.061 -9.897 3.159 1.00 0.00 O ATOM 608 CB ILE A 41 -21.200 -12.140 0.821 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.409 -11.164 -0.053 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.556 -13.424 0.069 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.022 -11.721 -0.379 1.00 0.00 C ATOM 0 H ILE A 41 -23.352 -12.018 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.768 -12.098 2.227 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.555 -12.422 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.955 -10.973 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.309 -10.208 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.647 -13.878 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.044 -14.121 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.231 -13.189 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.481 -11.008 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.470 -11.888 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.126 -12.665 -0.915 1.00 0.00 H new ATOM 623 N PHE A 42 -22.160 -9.106 1.042 1.00 0.00 N ATOM 624 CA PHE A 42 -21.931 -7.724 1.429 1.00 0.00 C ATOM 625 C PHE A 42 -23.225 -7.069 1.915 1.00 0.00 C ATOM 626 O PHE A 42 -24.289 -7.282 1.336 1.00 0.00 O ATOM 627 CB PHE A 42 -21.437 -6.987 0.183 1.00 0.00 C ATOM 628 CG PHE A 42 -20.029 -7.390 -0.261 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.849 -8.499 -1.026 1.00 0.00 C ATOM 630 CD2 PHE A 42 -18.958 -6.637 0.108 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.542 -8.873 -1.439 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.652 -7.011 -0.304 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.471 -8.121 -1.069 1.00 0.00 C ATOM 0 H PHE A 42 -22.279 -9.254 0.040 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.206 -7.680 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.132 -7.172 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.453 -5.915 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.700 -9.096 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.101 -5.755 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.399 -9.754 -2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.802 -6.414 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.477 -8.405 -1.382 1.00 0.00 H new ATOM 643 N LYS A 43 -23.091 -6.285 2.975 1.00 0.00 N ATOM 644 CA LYS A 43 -24.236 -5.597 3.546 1.00 0.00 C ATOM 645 C LYS A 43 -24.527 -4.335 2.730 1.00 0.00 C ATOM 646 O LYS A 43 -25.656 -4.123 2.290 1.00 0.00 O ATOM 647 CB LYS A 43 -24.012 -5.328 5.035 1.00 0.00 C ATOM 648 CG LYS A 43 -25.332 -5.380 5.807 1.00 0.00 C ATOM 649 CD LYS A 43 -25.120 -5.927 7.220 1.00 0.00 C ATOM 650 CE LYS A 43 -26.449 -6.038 7.970 1.00 0.00 C ATOM 651 NZ LYS A 43 -26.226 -6.529 9.349 1.00 0.00 N ATOM 0 H LYS A 43 -22.207 -6.111 3.453 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.125 -6.226 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.320 -6.066 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.549 -4.350 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.765 -4.381 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.045 -6.008 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.645 -6.907 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.442 -5.273 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.940 -5.065 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.117 -6.716 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.138 -6.599 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.778 -7.467 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.606 -5.867 9.857 1.00 0.00 H new ATOM 665 N LEU A 44 -23.489 -3.531 2.553 1.00 0.00 N ATOM 666 CA LEU A 44 -23.619 -2.297 1.798 1.00 0.00 C ATOM 667 C LEU A 44 -23.289 -2.566 0.329 1.00 0.00 C ATOM 668 O LEU A 44 -22.197 -3.032 0.009 1.00 0.00 O ATOM 669 CB LEU A 44 -22.767 -1.192 2.427 1.00 0.00 C ATOM 670 CG LEU A 44 -22.788 -1.116 3.955 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.004 0.099 4.455 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.224 -1.128 4.484 1.00 0.00 C ATOM 0 H LEU A 44 -22.554 -3.710 2.920 1.00 0.00 H new ATOM 0 HA LEU A 44 -24.647 -1.935 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.735 -1.328 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.101 -0.233 2.031 1.00 0.00 H new ATOM 0 HG LEU A 44 -22.292 -2.003 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.035 0.129 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.968 0.025 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -22.449 1.010 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -24.211 -1.073 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -24.766 -0.271 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -24.719 -2.048 4.173 1.00 0.00 H new ATOM 684 N LYS A 45 -24.254 -2.260 -0.526 1.00 0.00 N ATOM 685 CA LYS A 45 -24.081 -2.463 -1.955 1.00 0.00 C ATOM 686 C LYS A 45 -22.910 -1.610 -2.448 1.00 0.00 C ATOM 687 O LYS A 45 -22.148 -2.038 -3.313 1.00 0.00 O ATOM 688 CB LYS A 45 -25.391 -2.195 -2.697 1.00 0.00 C ATOM 689 CG LYS A 45 -26.456 -3.227 -2.319 1.00 0.00 C ATOM 690 CD LYS A 45 -26.266 -4.525 -3.106 1.00 0.00 C ATOM 691 CE LYS A 45 -27.532 -5.382 -3.063 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.711 -6.107 -4.342 1.00 0.00 N ATOM 0 H LYS A 45 -25.158 -1.873 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.830 -3.503 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.749 -1.193 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.217 -2.224 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.403 -3.435 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.448 -2.820 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.014 -4.293 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.428 -5.086 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.468 -6.094 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.400 -4.750 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.575 -6.684 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.793 -5.422 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.891 -6.724 -4.509 1.00 0.00 H new ATOM 706 N GLU A 46 -22.803 -0.420 -1.875 1.00 0.00 N ATOM 707 CA GLU A 46 -21.738 0.496 -2.246 1.00 0.00 C ATOM 708 C GLU A 46 -21.527 1.538 -1.146 1.00 0.00 C ATOM 709 O GLU A 46 -22.483 1.968 -0.502 1.00 0.00 O ATOM 710 CB GLU A 46 -22.035 1.168 -3.588 1.00 0.00 C ATOM 711 CG GLU A 46 -22.861 2.440 -3.394 1.00 0.00 C ATOM 712 CD GLU A 46 -23.668 2.768 -4.651 1.00 0.00 C ATOM 713 OE1 GLU A 46 -24.345 1.842 -5.149 1.00 0.00 O ATOM 714 OE2 GLU A 46 -23.590 3.937 -5.087 1.00 0.00 O ATOM 0 H GLU A 46 -23.436 -0.069 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.817 -0.076 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.099 1.411 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.574 0.475 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -23.536 2.314 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.201 3.273 -3.154 1.00 0.00 H new ATOM 721 N SER A 47 -20.270 1.914 -0.964 1.00 0.00 N ATOM 722 CA SER A 47 -19.922 2.898 0.047 1.00 0.00 C ATOM 723 C SER A 47 -18.591 3.564 -0.307 1.00 0.00 C ATOM 724 O SER A 47 -17.883 3.107 -1.204 1.00 0.00 O ATOM 725 CB SER A 47 -19.842 2.258 1.434 1.00 0.00 C ATOM 726 OG SER A 47 -21.052 2.423 2.169 1.00 0.00 O ATOM 0 H SER A 47 -19.480 1.555 -1.500 1.00 0.00 H new ATOM 0 HA SER A 47 -20.705 3.655 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.623 1.195 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.016 2.701 1.991 1.00 0.00 H new ATOM 0 HG SER A 47 -21.818 2.317 1.567 1.00 0.00 H new ATOM 732 N CYS A 48 -18.289 4.632 0.416 1.00 0.00 N ATOM 733 CA CYS A 48 -17.056 5.366 0.189 1.00 0.00 C ATOM 734 C CYS A 48 -16.406 5.644 1.546 1.00 0.00 C ATOM 735 O CYS A 48 -16.776 6.595 2.232 1.00 0.00 O ATOM 736 CB CYS A 48 -17.300 6.653 -0.601 1.00 0.00 C ATOM 737 SG CYS A 48 -15.864 7.006 -1.680 1.00 0.00 S ATOM 0 H CYS A 48 -18.877 5.007 1.160 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.380 4.766 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.203 6.554 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.464 7.485 0.084 1.00 0.00 H new ATOM 0 HG CYS A 48 -16.082 8.100 -2.348 1.00 0.00 H new ATOM 743 N VAL A 49 -15.448 4.797 1.892 1.00 0.00 N ATOM 744 CA VAL A 49 -14.743 4.939 3.155 1.00 0.00 C ATOM 745 C VAL A 49 -13.268 5.236 2.880 1.00 0.00 C ATOM 746 O VAL A 49 -12.712 4.769 1.886 1.00 0.00 O ATOM 747 CB VAL A 49 -14.952 3.691 4.015 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.395 3.604 4.514 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.560 2.426 3.249 1.00 0.00 C ATOM 0 H VAL A 49 -15.143 4.010 1.320 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.143 5.779 3.723 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.301 3.771 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.516 2.708 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.626 4.484 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.073 3.558 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.718 1.553 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.173 2.339 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.509 2.483 2.966 1.00 0.00 H new ATOM 759 N ARG A 50 -12.675 6.010 3.777 1.00 0.00 N ATOM 760 CA ARG A 50 -11.275 6.374 3.644 1.00 0.00 C ATOM 761 C ARG A 50 -10.426 5.599 4.654 1.00 0.00 C ATOM 762 O ARG A 50 -10.837 5.407 5.797 1.00 0.00 O ATOM 763 CB ARG A 50 -11.073 7.874 3.862 1.00 0.00 C ATOM 764 CG ARG A 50 -11.150 8.227 5.349 1.00 0.00 C ATOM 765 CD ARG A 50 -11.888 9.550 5.561 1.00 0.00 C ATOM 766 NE ARG A 50 -12.580 9.540 6.870 1.00 0.00 N ATOM 767 CZ ARG A 50 -13.714 8.869 7.114 1.00 0.00 C ATOM 768 NH1 ARG A 50 -14.291 8.151 6.141 1.00 0.00 N ATOM 769 NH2 ARG A 50 -14.271 8.917 8.332 1.00 0.00 N ATOM 0 H ARG A 50 -13.139 6.395 4.599 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.961 6.120 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.105 8.176 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.832 8.431 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.662 7.431 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.144 8.297 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.183 10.380 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.610 9.705 4.760 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.168 10.077 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.867 8.115 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.154 7.640 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.832 9.464 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.134 8.407 8.519 1.00 0.00 H new ATOM 783 N ARG A 51 -9.258 5.176 4.195 1.00 0.00 N ATOM 784 CA ARG A 51 -8.347 4.426 5.045 1.00 0.00 C ATOM 785 C ARG A 51 -6.896 4.737 4.672 1.00 0.00 C ATOM 786 O ARG A 51 -6.633 5.326 3.625 1.00 0.00 O ATOM 787 CB ARG A 51 -8.588 2.921 4.917 1.00 0.00 C ATOM 788 CG ARG A 51 -9.874 2.508 5.638 1.00 0.00 C ATOM 789 CD ARG A 51 -9.719 2.639 7.154 1.00 0.00 C ATOM 790 NE ARG A 51 -10.960 3.186 7.745 1.00 0.00 N ATOM 791 CZ ARG A 51 -11.015 3.824 8.922 1.00 0.00 C ATOM 792 NH1 ARG A 51 -9.898 3.999 9.641 1.00 0.00 N ATOM 793 NH2 ARG A 51 -12.186 4.287 9.379 1.00 0.00 N ATOM 0 H ARG A 51 -8.921 5.338 3.246 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.533 4.726 6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.654 2.648 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.741 2.377 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.702 3.131 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.124 1.478 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.497 1.665 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.877 3.292 7.387 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.829 3.070 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.007 3.647 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.939 4.485 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.036 4.154 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.228 4.773 10.275 1.00 0.00 H new ATOM 807 N ARG A 52 -5.993 4.327 5.551 1.00 0.00 N ATOM 808 CA ARG A 52 -4.575 4.554 5.327 1.00 0.00 C ATOM 809 C ARG A 52 -3.911 3.283 4.796 1.00 0.00 C ATOM 810 O ARG A 52 -4.547 2.232 4.717 1.00 0.00 O ATOM 811 CB ARG A 52 -3.876 4.986 6.618 1.00 0.00 C ATOM 812 CG ARG A 52 -4.265 6.415 7.000 1.00 0.00 C ATOM 813 CD ARG A 52 -4.249 6.600 8.519 1.00 0.00 C ATOM 814 NE ARG A 52 -2.871 6.436 9.034 1.00 0.00 N ATOM 815 CZ ARG A 52 -2.556 6.390 10.336 1.00 0.00 C ATOM 816 NH1 ARG A 52 -3.519 6.496 11.262 1.00 0.00 N ATOM 817 NH2 ARG A 52 -1.279 6.239 10.712 1.00 0.00 N ATOM 0 H ARG A 52 -6.215 3.839 6.419 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.479 5.352 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.143 4.304 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.795 4.921 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.574 7.120 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.259 6.641 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.627 7.589 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.911 5.873 8.989 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.114 6.353 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.491 6.612 10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.280 6.461 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.546 6.159 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.040 6.204 11.703 1.00 0.00 H new ATOM 831 N TYR A 53 -2.641 3.419 4.445 1.00 0.00 N ATOM 832 CA TYR A 53 -1.883 2.294 3.923 1.00 0.00 C ATOM 833 C TYR A 53 -1.643 1.244 5.010 1.00 0.00 C ATOM 834 O TYR A 53 -1.475 0.063 4.711 1.00 0.00 O ATOM 835 CB TYR A 53 -0.537 2.864 3.475 1.00 0.00 C ATOM 836 CG TYR A 53 0.570 1.816 3.345 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.415 0.752 2.480 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.724 1.934 4.093 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.457 -0.235 2.358 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.766 0.948 3.971 1.00 0.00 C ATOM 841 CZ TYR A 53 2.581 -0.088 3.109 1.00 0.00 C ATOM 842 OH TYR A 53 3.565 -1.020 2.994 1.00 0.00 O ATOM 0 H TYR A 53 -2.117 4.292 4.512 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.424 1.811 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.667 3.362 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.221 3.625 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.488 0.659 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.845 2.766 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.348 -1.073 1.685 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.674 1.029 4.551 1.00 0.00 H new ATOM 0 HH TYR A 53 4.308 -0.786 3.589 1.00 0.00 H new ATOM 852 N SER A 54 -1.634 1.713 6.249 1.00 0.00 N ATOM 853 CA SER A 54 -1.417 0.829 7.382 1.00 0.00 C ATOM 854 C SER A 54 -2.664 -0.021 7.629 1.00 0.00 C ATOM 855 O SER A 54 -2.561 -1.214 7.910 1.00 0.00 O ATOM 856 CB SER A 54 -1.058 1.624 8.640 1.00 0.00 C ATOM 857 OG SER A 54 0.157 1.171 9.229 1.00 0.00 O ATOM 0 H SER A 54 -1.773 2.693 6.493 1.00 0.00 H new ATOM 0 HA SER A 54 -0.579 0.173 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.967 2.680 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.867 1.539 9.366 1.00 0.00 H new ATOM 0 HG SER A 54 0.352 1.704 10.028 1.00 0.00 H new ATOM 863 N ASP A 55 -3.815 0.626 7.516 1.00 0.00 N ATOM 864 CA ASP A 55 -5.081 -0.056 7.723 1.00 0.00 C ATOM 865 C ASP A 55 -5.033 -1.427 7.047 1.00 0.00 C ATOM 866 O ASP A 55 -5.433 -2.429 7.639 1.00 0.00 O ATOM 867 CB ASP A 55 -6.239 0.734 7.110 1.00 0.00 C ATOM 868 CG ASP A 55 -7.618 0.090 7.271 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.837 -0.523 8.338 1.00 0.00 O ATOM 870 OD2 ASP A 55 -8.421 0.226 6.323 1.00 0.00 O ATOM 0 H ASP A 55 -3.897 1.616 7.284 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.240 -0.153 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.263 1.725 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.042 0.873 6.047 1.00 0.00 H new ATOM 875 N PHE A 56 -4.542 -1.428 5.817 1.00 0.00 N ATOM 876 CA PHE A 56 -4.437 -2.660 5.054 1.00 0.00 C ATOM 877 C PHE A 56 -3.553 -3.679 5.776 1.00 0.00 C ATOM 878 O PHE A 56 -3.894 -4.859 5.852 1.00 0.00 O ATOM 879 CB PHE A 56 -3.792 -2.303 3.713 1.00 0.00 C ATOM 880 CG PHE A 56 -4.761 -1.693 2.699 1.00 0.00 C ATOM 881 CD1 PHE A 56 -4.973 -0.350 2.683 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.412 -2.494 1.813 1.00 0.00 C ATOM 883 CE1 PHE A 56 -5.873 0.216 1.742 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.312 -1.928 0.872 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.523 -0.585 0.856 1.00 0.00 C ATOM 0 H PHE A 56 -4.212 -0.595 5.329 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.425 -3.102 4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.977 -1.601 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.351 -3.202 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.457 0.286 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.244 -3.561 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.041 1.283 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.829 -2.564 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.207 -0.154 0.140 1.00 0.00 H new ATOM 895 N GLU A 57 -2.435 -3.186 6.289 1.00 0.00 N ATOM 896 CA GLU A 57 -1.500 -4.039 7.003 1.00 0.00 C ATOM 897 C GLU A 57 -2.214 -4.780 8.134 1.00 0.00 C ATOM 898 O GLU A 57 -1.895 -5.932 8.425 1.00 0.00 O ATOM 899 CB GLU A 57 -0.318 -3.228 7.539 1.00 0.00 C ATOM 900 CG GLU A 57 0.896 -3.353 6.616 1.00 0.00 C ATOM 901 CD GLU A 57 2.198 -3.132 7.389 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.416 -3.889 8.360 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.944 -2.211 6.993 1.00 0.00 O ATOM 0 H GLU A 57 -2.156 -2.207 6.224 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.106 -4.777 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.603 -2.180 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.057 -3.576 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.906 -4.340 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.820 -2.625 5.809 1.00 0.00 H new ATOM 910 N TRP A 58 -3.168 -4.090 8.742 1.00 0.00 N ATOM 911 CA TRP A 58 -3.930 -4.668 9.835 1.00 0.00 C ATOM 912 C TRP A 58 -4.898 -5.695 9.245 1.00 0.00 C ATOM 913 O TRP A 58 -4.967 -6.830 9.714 1.00 0.00 O ATOM 914 CB TRP A 58 -4.635 -3.580 10.648 1.00 0.00 C ATOM 915 CG TRP A 58 -5.654 -4.118 11.655 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.477 -4.353 12.962 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.024 -4.479 11.381 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.629 -4.838 13.549 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.599 -4.917 12.557 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.754 -4.436 10.180 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.929 -5.346 12.647 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.081 -4.869 10.287 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.675 -5.313 11.463 1.00 0.00 C ATOM 0 H TRP A 58 -3.430 -3.135 8.498 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.270 -5.175 10.539 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.885 -2.996 11.182 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.141 -2.899 9.963 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.550 -4.184 13.490 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.746 -5.092 14.530 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.325 -4.096 9.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.356 -5.684 13.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.686 -4.857 9.393 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.707 -5.631 11.463 1.00 0.00 H new ATOM 934 N LEU A 59 -5.623 -5.260 8.224 1.00 0.00 N ATOM 935 CA LEU A 59 -6.584 -6.127 7.565 1.00 0.00 C ATOM 936 C LEU A 59 -5.876 -7.397 7.089 1.00 0.00 C ATOM 937 O LEU A 59 -6.339 -8.506 7.353 1.00 0.00 O ATOM 938 CB LEU A 59 -7.309 -5.372 6.449 1.00 0.00 C ATOM 939 CG LEU A 59 -7.471 -6.124 5.126 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.554 -7.198 5.235 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.738 -5.154 3.973 1.00 0.00 C ATOM 0 H LEU A 59 -5.564 -4.318 7.837 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.360 -6.437 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.299 -5.094 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.769 -4.446 6.254 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.533 -6.634 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.649 -7.717 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.281 -7.912 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.505 -6.731 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.849 -5.714 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.653 -4.596 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.902 -4.460 3.880 1.00 0.00 H new ATOM 953 N LYS A 60 -4.766 -7.193 6.396 1.00 0.00 N ATOM 954 CA LYS A 60 -3.990 -8.308 5.881 1.00 0.00 C ATOM 955 C LYS A 60 -3.723 -9.304 7.012 1.00 0.00 C ATOM 956 O LYS A 60 -4.136 -10.461 6.936 1.00 0.00 O ATOM 957 CB LYS A 60 -2.719 -7.805 5.194 1.00 0.00 C ATOM 958 CG LYS A 60 -1.682 -8.923 5.071 1.00 0.00 C ATOM 959 CD LYS A 60 -0.697 -8.635 3.936 1.00 0.00 C ATOM 960 CE LYS A 60 0.685 -9.210 4.251 1.00 0.00 C ATOM 961 NZ LYS A 60 1.402 -8.341 5.211 1.00 0.00 N ATOM 0 H LYS A 60 -4.385 -6.272 6.179 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.552 -8.839 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.964 -7.421 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.299 -6.975 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.139 -9.026 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.185 -9.872 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.071 -9.066 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.620 -7.559 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.582 -10.213 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.265 -9.303 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.128 -8.897 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.855 -7.558 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.727 -7.957 5.903 1.00 0.00 H new ATOM 975 N ASN A 61 -3.036 -8.819 8.035 1.00 0.00 N ATOM 976 CA ASN A 61 -2.710 -9.652 9.181 1.00 0.00 C ATOM 977 C ASN A 61 -3.947 -10.452 9.592 1.00 0.00 C ATOM 978 O ASN A 61 -3.916 -11.682 9.613 1.00 0.00 O ATOM 979 CB ASN A 61 -2.279 -8.800 10.376 1.00 0.00 C ATOM 980 CG ASN A 61 -1.657 -9.668 11.472 1.00 0.00 C ATOM 981 OD1 ASN A 61 -1.518 -10.873 11.341 1.00 0.00 O ATOM 982 ND2 ASN A 61 -1.292 -8.990 12.557 1.00 0.00 N ATOM 0 H ASN A 61 -2.696 -7.859 8.095 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.892 -10.313 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.560 -8.048 10.051 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.141 -8.265 10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.867 -9.479 13.345 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.437 -7.981 12.601 1.00 0.00 H new ATOM 989 N GLU A 62 -5.007 -9.723 9.909 1.00 0.00 N ATOM 990 CA GLU A 62 -6.252 -10.350 10.318 1.00 0.00 C ATOM 991 C GLU A 62 -6.519 -11.598 9.476 1.00 0.00 C ATOM 992 O GLU A 62 -7.082 -12.575 9.968 1.00 0.00 O ATOM 993 CB GLU A 62 -7.419 -9.365 10.225 1.00 0.00 C ATOM 994 CG GLU A 62 -7.872 -8.918 11.616 1.00 0.00 C ATOM 995 CD GLU A 62 -6.791 -8.080 12.302 1.00 0.00 C ATOM 996 OE1 GLU A 62 -6.339 -7.104 11.664 1.00 0.00 O ATOM 997 OE2 GLU A 62 -6.441 -8.434 13.449 1.00 0.00 O ATOM 0 H GLU A 62 -5.029 -8.703 9.891 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.158 -10.653 11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.120 -8.496 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.252 -9.832 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.790 -8.337 11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.101 -9.792 12.226 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.104 -11.526 8.220 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.292 -12.638 7.304 1.00 0.00 C ATOM 1006 C LEU A 63 -5.133 -13.624 7.461 1.00 0.00 C ATOM 1007 O LEU A 63 -5.349 -14.832 7.556 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.476 -12.129 5.873 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.808 -11.439 5.572 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.785 -10.781 4.192 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.977 -12.415 5.723 1.00 0.00 C ATOM 0 H LEU A 63 -5.638 -10.714 7.815 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.207 -13.179 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.669 -11.430 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.364 -12.972 5.191 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.955 -10.645 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.744 -10.298 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.990 -10.036 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.605 -11.539 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.912 -11.900 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.849 -13.246 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.004 -12.796 6.744 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.928 -13.073 7.485 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.734 -13.889 7.629 1.00 0.00 C ATOM 1025 C GLU A 64 -2.786 -14.677 8.940 1.00 0.00 C ATOM 1026 O GLU A 64 -2.056 -15.653 9.111 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.471 -13.030 7.555 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.309 -12.412 6.165 1.00 0.00 C ATOM 1029 CD GLU A 64 0.090 -12.679 5.605 1.00 0.00 C ATOM 1030 OE1 GLU A 64 1.060 -12.352 6.322 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.157 -13.204 4.473 1.00 0.00 O ATOM 0 H GLU A 64 -3.753 -12.071 7.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.699 -14.598 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.520 -12.240 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.598 -13.639 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.059 -12.824 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.484 -11.337 6.218 1.00 0.00 H new ATOM 1107 N ILE A 69 -6.064 -18.689 4.127 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.285 -17.578 3.218 1.00 0.00 C ATOM 1109 C ILE A 69 -4.939 -17.092 2.677 1.00 0.00 C ATOM 1110 O ILE A 69 -3.982 -16.935 3.433 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.106 -16.482 3.900 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.543 -16.947 4.147 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.055 -15.179 3.099 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.484 -15.752 4.315 1.00 0.00 C ATOM 0 HA ILE A 69 -6.876 -17.899 2.361 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.661 -16.278 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.878 -17.564 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.579 -17.571 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.647 -14.417 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.022 -14.842 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.460 -15.349 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.499 -16.110 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.160 -15.151 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.464 -15.143 3.411 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.909 -16.865 1.371 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.697 -16.400 0.721 1.00 0.00 C ATOM 1128 C VAL A 70 -3.805 -14.895 0.467 1.00 0.00 C ATOM 1129 O VAL A 70 -4.455 -14.467 -0.485 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.446 -17.205 -0.556 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.217 -16.681 -1.302 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.304 -18.696 -0.246 1.00 0.00 C ATOM 0 H VAL A 70 -5.705 -16.995 0.747 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.833 -16.560 1.365 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.312 -17.079 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.061 -17.270 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.373 -15.637 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.340 -16.762 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.126 -19.245 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.465 -18.848 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.219 -19.059 0.221 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.157 -14.133 1.336 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.172 -12.685 1.218 1.00 0.00 C ATOM 1144 C VAL A 71 -1.966 -12.232 0.394 1.00 0.00 C ATOM 1145 O VAL A 71 -0.858 -12.735 0.579 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.219 -12.047 2.609 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.637 -10.577 2.524 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.149 -12.828 3.539 1.00 0.00 C ATOM 0 H VAL A 71 -2.618 -14.491 2.125 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.068 -12.354 0.692 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.214 -12.086 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.663 -10.148 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.920 -10.030 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.627 -10.506 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.164 -12.354 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.157 -12.835 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.790 -13.852 3.637 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.227 -11.262 -0.523 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.176 -10.735 -1.377 1.00 0.00 C ATOM 1160 C PRO A 72 -0.254 -9.797 -0.596 1.00 0.00 C ATOM 1161 O PRO A 72 -0.588 -9.369 0.508 1.00 0.00 O ATOM 1162 CB PRO A 72 -1.905 -10.040 -2.515 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.321 -9.800 -2.018 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.526 -10.643 -0.770 1.00 0.00 C ATOM 0 HA PRO A 72 -0.516 -11.513 -1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.418 -9.100 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.906 -10.658 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.473 -8.744 -1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.046 -10.071 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.839 -10.030 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.300 -11.395 -0.923 1.00 0.00 H new ATOM 1172 N PRO A 73 0.918 -9.496 -1.216 1.00 0.00 N ATOM 1173 CA PRO A 73 1.891 -8.616 -0.591 1.00 0.00 C ATOM 1174 C PRO A 73 1.438 -7.156 -0.665 1.00 0.00 C ATOM 1175 O PRO A 73 0.681 -6.782 -1.560 1.00 0.00 O ATOM 1176 CB PRO A 73 3.190 -8.873 -1.337 1.00 0.00 C ATOM 1177 CG PRO A 73 2.795 -9.537 -2.646 1.00 0.00 C ATOM 1178 CD PRO A 73 1.347 -9.984 -2.523 1.00 0.00 C ATOM 0 HA PRO A 73 2.013 -8.813 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.727 -7.942 -1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.853 -9.516 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.911 -8.841 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.442 -10.390 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.734 -9.566 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.260 -11.069 -2.589 1.00 0.00 H new ATOM 1186 N LEU A 74 1.919 -6.372 0.288 1.00 0.00 N ATOM 1187 CA LEU A 74 1.572 -4.962 0.342 1.00 0.00 C ATOM 1188 C LEU A 74 2.673 -4.144 -0.337 1.00 0.00 C ATOM 1189 O LEU A 74 3.846 -4.509 -0.281 1.00 0.00 O ATOM 1190 CB LEU A 74 1.289 -4.534 1.784 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.106 -4.864 2.319 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.147 -4.757 3.845 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.170 -3.988 1.655 1.00 0.00 C ATOM 0 H LEU A 74 2.546 -6.686 1.029 1.00 0.00 H new ATOM 0 HA LEU A 74 0.650 -4.776 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.027 -5.005 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.440 -3.457 1.859 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.334 -5.898 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.149 -4.996 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.568 -5.457 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.111 -3.742 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.152 -4.243 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.957 -2.939 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.160 -4.157 0.578 1.00 0.00 H new ATOM 1205 N PRO A 75 2.244 -3.024 -0.979 1.00 0.00 N ATOM 1206 CA PRO A 75 3.180 -2.152 -1.668 1.00 0.00 C ATOM 1207 C PRO A 75 3.983 -1.314 -0.672 1.00 0.00 C ATOM 1208 O PRO A 75 3.468 -0.350 -0.108 1.00 0.00 O ATOM 1209 CB PRO A 75 2.321 -1.309 -2.596 1.00 0.00 C ATOM 1210 CG PRO A 75 0.902 -1.412 -2.060 1.00 0.00 C ATOM 1211 CD PRO A 75 0.862 -2.561 -1.066 1.00 0.00 C ATOM 0 HA PRO A 75 3.931 -2.704 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.660 -0.273 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.379 -1.675 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.607 -0.480 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.198 -1.586 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.493 -2.232 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.199 -3.356 -1.406 1.00 0.00 H new ATOM 1219 N GLY A 76 5.233 -1.713 -0.484 1.00 0.00 N ATOM 1220 CA GLY A 76 6.113 -1.011 0.434 1.00 0.00 C ATOM 1221 C GLY A 76 7.491 -1.674 0.488 1.00 0.00 C ATOM 1222 O GLY A 76 8.416 -1.249 -0.203 1.00 0.00 O ATOM 0 H GLY A 76 5.657 -2.514 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.217 0.028 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.671 -1.000 1.430 1.00 0.00 H new ATOM 1512 N GLU A 94 3.748 12.590 -6.641 1.00 0.00 N ATOM 1513 CA GLU A 94 2.547 11.950 -7.152 1.00 0.00 C ATOM 1514 C GLU A 94 2.802 10.462 -7.398 1.00 0.00 C ATOM 1515 O GLU A 94 2.143 9.609 -6.806 1.00 0.00 O ATOM 1516 CB GLU A 94 2.057 12.641 -8.426 1.00 0.00 C ATOM 1517 CG GLU A 94 1.506 14.035 -8.116 1.00 0.00 C ATOM 1518 CD GLU A 94 0.038 13.962 -7.691 1.00 0.00 C ATOM 1519 OE1 GLU A 94 -0.686 13.137 -8.290 1.00 0.00 O ATOM 1520 OE2 GLU A 94 -0.327 14.732 -6.778 1.00 0.00 O ATOM 0 HA GLU A 94 1.761 12.044 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.877 12.721 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.282 12.036 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.096 14.495 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.603 14.672 -8.995 1.00 0.00 H new ATOM 1527 N SER A 95 3.761 10.196 -8.274 1.00 0.00 N ATOM 1528 CA SER A 95 4.111 8.825 -8.606 1.00 0.00 C ATOM 1529 C SER A 95 4.077 7.956 -7.348 1.00 0.00 C ATOM 1530 O SER A 95 3.498 6.871 -7.354 1.00 0.00 O ATOM 1531 CB SER A 95 5.491 8.754 -9.263 1.00 0.00 C ATOM 1532 OG SER A 95 5.516 7.836 -10.353 1.00 0.00 O ATOM 0 H SER A 95 4.306 10.906 -8.763 1.00 0.00 H new ATOM 0 HA SER A 95 3.378 8.448 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.776 9.745 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.231 8.456 -8.521 1.00 0.00 H new ATOM 0 HG SER A 95 6.413 7.820 -10.747 1.00 0.00 H new ATOM 1538 N PHE A 96 4.704 8.466 -6.298 1.00 0.00 N ATOM 1539 CA PHE A 96 4.752 7.750 -5.034 1.00 0.00 C ATOM 1540 C PHE A 96 3.346 7.373 -4.564 1.00 0.00 C ATOM 1541 O PHE A 96 3.061 6.200 -4.325 1.00 0.00 O ATOM 1542 CB PHE A 96 5.384 8.694 -4.009 1.00 0.00 C ATOM 1543 CG PHE A 96 6.335 8.003 -3.030 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.875 7.008 -2.224 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.639 8.383 -2.965 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.758 6.366 -1.315 1.00 0.00 C ATOM 1547 CE2 PHE A 96 8.521 7.741 -2.056 1.00 0.00 C ATOM 1548 CZ PHE A 96 8.062 6.746 -1.250 1.00 0.00 C ATOM 0 H PHE A 96 5.183 9.366 -6.296 1.00 0.00 H new ATOM 0 HA PHE A 96 5.326 6.831 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.929 9.476 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.591 9.184 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.839 6.706 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.004 9.173 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.393 5.576 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.557 8.043 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.733 6.258 -0.559 1.00 0.00 H new ATOM 1558 N ILE A 97 2.504 8.389 -4.444 1.00 0.00 N ATOM 1559 CA ILE A 97 1.135 8.178 -4.007 1.00 0.00 C ATOM 1560 C ILE A 97 0.459 7.162 -4.929 1.00 0.00 C ATOM 1561 O ILE A 97 -0.248 6.270 -4.464 1.00 0.00 O ATOM 1562 CB ILE A 97 0.391 9.512 -3.912 1.00 0.00 C ATOM 1563 CG1 ILE A 97 0.759 10.255 -2.626 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -1.119 9.309 -4.044 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.990 11.743 -2.899 1.00 0.00 C ATOM 0 H ILE A 97 2.744 9.360 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 97 1.118 7.757 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 97 0.706 10.138 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.038 10.136 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.659 9.817 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.623 10.273 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.342 8.853 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.470 8.656 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.250 12.248 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.804 11.860 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.081 12.183 -3.309 1.00 0.00 H new ATOM 1577 N GLU A 98 0.702 7.331 -6.221 1.00 0.00 N ATOM 1578 CA GLU A 98 0.126 6.439 -7.213 1.00 0.00 C ATOM 1579 C GLU A 98 0.591 5.002 -6.969 1.00 0.00 C ATOM 1580 O GLU A 98 -0.225 4.114 -6.729 1.00 0.00 O ATOM 1581 CB GLU A 98 0.477 6.896 -8.630 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.749 6.840 -9.544 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.952 8.171 -10.271 1.00 0.00 C ATOM 1584 OE1 GLU A 98 -0.756 9.214 -9.610 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -1.299 8.116 -11.470 1.00 0.00 O ATOM 0 H GLU A 98 1.290 8.072 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.959 6.470 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.868 7.913 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.266 6.263 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.628 6.038 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.636 6.604 -8.955 1.00 0.00 H new ATOM 1592 N GLU A 99 1.901 4.818 -7.040 1.00 0.00 N ATOM 1593 CA GLU A 99 2.485 3.504 -6.829 1.00 0.00 C ATOM 1594 C GLU A 99 1.765 2.780 -5.690 1.00 0.00 C ATOM 1595 O GLU A 99 1.357 1.629 -5.840 1.00 0.00 O ATOM 1596 CB GLU A 99 3.986 3.609 -6.551 1.00 0.00 C ATOM 1597 CG GLU A 99 4.769 2.589 -7.380 1.00 0.00 C ATOM 1598 CD GLU A 99 5.691 1.752 -6.492 1.00 0.00 C ATOM 1599 OE1 GLU A 99 6.253 2.342 -5.543 1.00 0.00 O ATOM 1600 OE2 GLU A 99 5.814 0.542 -6.780 1.00 0.00 O ATOM 0 H GLU A 99 2.575 5.557 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 99 2.358 2.921 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.333 4.616 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.176 3.444 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.075 1.935 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.359 3.106 -8.137 1.00 0.00 H new ATOM 1607 N ARG A 100 1.632 3.484 -4.575 1.00 0.00 N ATOM 1608 CA ARG A 100 0.969 2.922 -3.410 1.00 0.00 C ATOM 1609 C ARG A 100 -0.537 2.813 -3.659 1.00 0.00 C ATOM 1610 O ARG A 100 -1.101 1.720 -3.607 1.00 0.00 O ATOM 1611 CB ARG A 100 1.213 3.783 -2.169 1.00 0.00 C ATOM 1612 CG ARG A 100 1.227 2.926 -0.902 1.00 0.00 C ATOM 1613 CD ARG A 100 1.812 3.704 0.279 1.00 0.00 C ATOM 1614 NE ARG A 100 3.280 3.525 0.325 1.00 0.00 N ATOM 1615 CZ ARG A 100 4.119 4.362 0.950 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.640 5.440 1.586 1.00 0.00 N ATOM 1617 NH2 ARG A 100 5.437 4.121 0.940 1.00 0.00 N ATOM 0 H ARG A 100 1.972 4.438 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 100 1.385 1.930 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.163 4.309 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.435 4.543 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.213 2.605 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.814 2.024 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.569 4.762 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.366 3.357 1.211 1.00 0.00 H new ATOM 0 HE ARG A 100 3.678 2.714 -0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.637 5.623 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.279 6.077 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.802 3.300 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.076 4.758 1.416 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.146 3.959 -3.923 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.576 4.006 -4.179 1.00 0.00 C ATOM 1633 C ARG A 101 -2.996 2.825 -5.056 1.00 0.00 C ATOM 1634 O ARG A 101 -3.804 1.995 -4.641 1.00 0.00 O ATOM 1635 CB ARG A 101 -2.969 5.312 -4.872 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.486 5.403 -5.051 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.948 6.861 -5.080 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.329 7.244 -6.458 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.459 7.652 -7.392 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -3.153 7.732 -7.101 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -4.894 7.979 -8.616 1.00 0.00 N ATOM 0 H ARG A 101 -0.675 4.863 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.087 3.950 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.617 6.160 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.480 5.373 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.777 4.907 -5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.984 4.876 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.796 6.996 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.150 7.511 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.315 7.194 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.822 7.482 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.490 8.042 -7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.888 7.918 -8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.231 8.290 -9.327 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.430 2.787 -6.253 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.736 1.721 -7.193 1.00 0.00 C ATOM 1657 C GLN A 102 -2.367 0.363 -6.593 1.00 0.00 C ATOM 1658 O GLN A 102 -3.122 -0.600 -6.718 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.021 1.944 -8.527 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.748 2.993 -9.370 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.591 2.701 -10.864 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -3.114 1.733 -11.391 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.845 3.589 -11.514 1.00 0.00 N ATOM 0 H GLN A 102 -1.761 3.477 -6.594 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.808 1.731 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.996 2.266 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.967 1.004 -9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.806 3.006 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.352 3.983 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.436 4.377 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.681 3.482 -12.515 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.207 0.329 -5.955 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.729 -0.895 -5.335 1.00 0.00 C ATOM 1674 C GLY A 103 -1.786 -1.485 -4.399 1.00 0.00 C ATOM 1675 O GLY A 103 -2.102 -2.671 -4.483 1.00 0.00 O ATOM 0 H GLY A 103 -0.583 1.130 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.475 -1.622 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.184 -0.691 -4.776 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.302 -0.630 -3.529 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.317 -1.052 -2.578 1.00 0.00 C ATOM 1681 C LEU A 104 -4.551 -1.542 -3.339 1.00 0.00 C ATOM 1682 O LEU A 104 -5.116 -2.583 -3.008 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.615 0.069 -1.580 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.510 0.376 -0.568 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -2.702 1.763 0.049 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.424 -0.718 0.498 1.00 0.00 C ATOM 0 H LEU A 104 -2.037 0.353 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.956 -1.890 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.831 0.979 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.521 -0.191 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.556 0.387 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.903 1.956 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.675 2.518 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.664 1.804 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.631 -0.476 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.374 -0.785 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.206 -1.674 0.022 1.00 0.00 H new ATOM 1698 N GLU A 105 -4.932 -0.768 -4.345 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.089 -1.110 -5.155 1.00 0.00 C ATOM 1700 C GLU A 105 -5.948 -2.529 -5.709 1.00 0.00 C ATOM 1701 O GLU A 105 -6.854 -3.349 -5.564 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.285 -0.097 -6.286 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.762 0.018 -6.668 1.00 0.00 C ATOM 1704 CD GLU A 105 -7.954 -0.167 -8.174 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.360 -1.128 -8.709 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.691 0.658 -8.758 1.00 0.00 O ATOM 0 H GLU A 105 -4.460 0.094 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.975 -1.074 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.909 0.878 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.703 -0.401 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.340 -0.732 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.145 0.993 -6.366 1.00 0.00 H new ATOM 1713 N GLN A 106 -4.805 -2.776 -6.332 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.534 -4.082 -6.908 1.00 0.00 C ATOM 1715 C GLN A 106 -4.666 -5.171 -5.841 1.00 0.00 C ATOM 1716 O GLN A 106 -5.370 -6.159 -6.041 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.149 -4.118 -7.559 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.259 -4.050 -9.084 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.973 -5.414 -9.715 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.366 -6.288 -9.118 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -3.442 -5.546 -10.953 1.00 0.00 N ATOM 0 H GLN A 106 -4.056 -2.094 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.271 -4.273 -7.688 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.551 -3.282 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.630 -5.031 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.258 -3.717 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.556 -3.312 -9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.942 -4.774 -11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.302 -6.419 -11.461 1.00 0.00 H new ATOM 1730 N PHE A 107 -3.977 -4.952 -4.730 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.009 -5.903 -3.631 1.00 0.00 C ATOM 1732 C PHE A 107 -5.448 -6.278 -3.272 1.00 0.00 C ATOM 1733 O PHE A 107 -5.821 -7.448 -3.329 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.357 -5.217 -2.428 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.729 -5.840 -1.081 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.833 -5.409 -0.414 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -2.954 -6.824 -0.550 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.177 -5.986 0.836 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.299 -7.401 0.701 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.403 -6.970 1.367 1.00 0.00 C ATOM 0 H PHE A 107 -3.394 -4.131 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.484 -6.816 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.274 -5.251 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.644 -4.166 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.448 -4.628 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.077 -7.166 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.054 -5.644 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.684 -8.182 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.665 -7.409 2.318 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.217 -5.262 -2.909 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.607 -5.470 -2.540 1.00 0.00 C ATOM 1752 C ILE A 108 -8.372 -6.025 -3.743 1.00 0.00 C ATOM 1753 O ILE A 108 -9.154 -6.965 -3.606 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.208 -4.184 -1.969 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.302 -4.497 -0.946 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.715 -3.272 -3.088 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -8.695 -4.875 0.407 1.00 0.00 C ATOM 0 H ILE A 108 -5.904 -4.292 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.683 -6.211 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.421 -3.643 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.953 -3.631 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.923 -5.315 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.137 -2.365 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.887 -3.008 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.483 -3.792 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.494 -5.093 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.064 -5.756 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.094 -4.046 0.781 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.119 -5.421 -4.895 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.774 -5.843 -6.121 1.00 0.00 C ATOM 1771 C ASN A 109 -8.749 -7.370 -6.208 1.00 0.00 C ATOM 1772 O ASN A 109 -9.703 -7.985 -6.681 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.053 -5.287 -7.350 1.00 0.00 C ATOM 1774 CG ASN A 109 -8.826 -4.115 -7.957 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.400 -4.205 -9.030 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -8.809 -3.013 -7.213 1.00 0.00 N ATOM 0 H ASN A 109 -7.469 -4.643 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.797 -5.468 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.051 -4.961 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.936 -6.075 -8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.296 -2.175 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.309 -3.005 -6.324 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.646 -7.939 -5.743 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.483 -9.383 -5.763 1.00 0.00 C ATOM 1785 C LYS A 110 -7.979 -9.965 -4.438 1.00 0.00 C ATOM 1786 O LYS A 110 -8.666 -10.985 -4.422 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.037 -9.755 -6.095 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.912 -10.225 -7.546 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.591 -11.720 -7.612 1.00 0.00 C ATOM 1790 CE LYS A 110 -4.938 -12.082 -8.947 1.00 0.00 C ATOM 1791 NZ LYS A 110 -5.427 -13.395 -9.424 1.00 0.00 N ATOM 0 H LYS A 110 -6.857 -7.426 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.090 -9.824 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.389 -8.894 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.697 -10.543 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.842 -10.025 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.129 -9.659 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.925 -11.989 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.506 -12.298 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.160 -11.314 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.854 -12.111 -8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.974 -13.626 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.193 -14.128 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.458 -13.356 -9.552 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.611 -9.292 -3.358 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.010 -9.730 -2.031 1.00 0.00 C ATOM 1807 C ILE A 111 -9.530 -9.891 -1.987 1.00 0.00 C ATOM 1808 O ILE A 111 -10.038 -10.892 -1.482 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.462 -8.778 -0.965 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.637 -9.538 0.076 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.588 -7.966 -0.323 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.492 -9.905 1.291 1.00 0.00 C ATOM 0 H ILE A 111 -7.041 -8.446 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.579 -10.706 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.792 -8.069 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.226 -10.443 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.792 -8.927 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.171 -7.298 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.095 -7.378 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.302 -8.642 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.882 -10.444 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.882 -8.996 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.322 -10.536 0.974 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.215 -8.892 -2.523 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.668 -8.911 -2.552 1.00 0.00 C ATOM 1826 C ALA A 112 -12.144 -10.186 -3.251 1.00 0.00 C ATOM 1827 O ALA A 112 -12.772 -11.041 -2.630 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.182 -7.643 -3.239 1.00 0.00 C ATOM 0 H ALA A 112 -9.791 -8.064 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.071 -8.920 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.272 -7.657 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.841 -6.767 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.799 -7.601 -4.259 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.825 -10.273 -4.534 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.212 -11.430 -5.324 1.00 0.00 C ATOM 1836 C GLY A 113 -12.114 -12.715 -4.500 1.00 0.00 C ATOM 1837 O GLY A 113 -12.934 -13.618 -4.652 1.00 0.00 O ATOM 0 H GLY A 113 -11.303 -9.562 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.232 -11.303 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.570 -11.507 -6.201 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.104 -12.755 -3.643 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.888 -13.914 -2.795 1.00 0.00 C ATOM 1843 C HIS A 114 -12.215 -14.344 -2.166 1.00 0.00 C ATOM 1844 O HIS A 114 -12.950 -13.516 -1.631 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.804 -13.631 -1.753 1.00 0.00 C ATOM 1846 CG HIS A 114 -8.942 -14.826 -1.423 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.285 -15.754 -0.456 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.748 -15.234 -1.943 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.334 -16.675 -0.403 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.382 -16.351 -1.325 1.00 0.00 N ATOM 0 H HIS A 114 -10.426 -12.003 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.524 -14.746 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.166 -12.825 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.278 -13.274 -0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.195 -14.734 -2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.316 -17.532 0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.529 -16.880 -1.509 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.489 -15.674 -2.255 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.714 -16.224 -1.701 1.00 0.00 C ATOM 1860 C PRO A 115 -13.639 -16.306 -0.176 1.00 0.00 C ATOM 1861 O PRO A 115 -14.618 -16.026 0.514 1.00 0.00 O ATOM 1862 CB PRO A 115 -13.868 -17.584 -2.362 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.494 -17.942 -2.904 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.641 -16.684 -2.881 1.00 0.00 C ATOM 0 HA PRO A 115 -14.584 -15.598 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.212 -18.330 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.606 -17.548 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.037 -18.724 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.574 -18.331 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.723 -16.838 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.347 -16.386 -3.887 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.466 -16.690 0.307 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.250 -16.812 1.739 1.00 0.00 C ATOM 1874 C LEU A 116 -12.417 -15.440 2.394 1.00 0.00 C ATOM 1875 O LEU A 116 -12.865 -15.343 3.536 1.00 0.00 O ATOM 1876 CB LEU A 116 -10.897 -17.468 2.023 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.566 -18.708 1.190 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.438 -19.516 1.835 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -11.815 -19.558 0.950 1.00 0.00 C ATOM 0 H LEU A 116 -11.656 -16.921 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.997 -17.471 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.115 -16.726 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.863 -17.743 3.077 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.209 -18.378 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.222 -20.392 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.544 -18.897 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.743 -19.836 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.551 -20.433 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.225 -19.880 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.560 -18.968 0.416 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.048 -14.412 1.644 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.152 -13.049 2.138 1.00 0.00 C ATOM 1893 C ALA A 117 -13.603 -12.579 2.024 1.00 0.00 C ATOM 1894 O ALA A 117 -14.132 -11.958 2.945 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.185 -12.151 1.363 1.00 0.00 C ATOM 0 H ALA A 117 -11.677 -14.495 0.698 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.872 -12.999 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.262 -11.129 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.165 -12.510 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.438 -12.174 0.303 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.206 -12.894 0.887 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.586 -12.511 0.641 1.00 0.00 C ATOM 1903 C GLN A 118 -16.485 -13.011 1.774 1.00 0.00 C ATOM 1904 O GLN A 118 -17.576 -12.483 1.984 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.068 -13.035 -0.713 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.687 -12.072 -1.840 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.398 -12.444 -3.143 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.381 -13.168 -3.159 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.849 -11.911 -4.230 1.00 0.00 N ATOM 0 H GLN A 118 -13.764 -13.410 0.126 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.641 -11.423 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.631 -14.015 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.150 -13.166 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.949 -11.053 -1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.608 -12.093 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.027 -11.314 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.250 -12.099 -5.149 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.994 -14.024 2.473 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.740 -14.601 3.578 1.00 0.00 C ATOM 1920 C ASN A 119 -16.359 -13.883 4.875 1.00 0.00 C ATOM 1921 O ASN A 119 -17.189 -13.727 5.769 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.413 -16.086 3.747 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.651 -16.951 3.500 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.705 -16.476 3.112 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.465 -18.245 3.745 1.00 0.00 N ATOM 0 H ASN A 119 -15.089 -14.460 2.295 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.803 -14.487 3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.622 -16.369 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.033 -16.266 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.231 -18.905 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.556 -18.577 4.068 1.00 0.00 H new ATOM 1932 N GLU A 120 -15.103 -13.467 4.936 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.602 -12.769 6.108 1.00 0.00 C ATOM 1934 C GLU A 120 -15.389 -11.477 6.333 1.00 0.00 C ATOM 1935 O GLU A 120 -15.648 -10.731 5.390 1.00 0.00 O ATOM 1936 CB GLU A 120 -13.105 -12.483 5.978 1.00 0.00 C ATOM 1937 CG GLU A 120 -12.277 -13.722 6.328 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.621 -14.233 7.729 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -12.164 -13.588 8.696 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -13.335 -15.257 7.800 1.00 0.00 O ATOM 0 H GLU A 120 -14.417 -13.600 4.193 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.741 -13.412 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.879 -12.166 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.830 -11.659 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.463 -14.507 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.215 -13.481 6.275 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.748 -11.252 7.589 1.00 0.00 N ATOM 1948 CA ARG A 121 -16.501 -10.063 7.950 1.00 0.00 C ATOM 1949 C ARG A 121 -15.550 -8.896 8.226 1.00 0.00 C ATOM 1950 O ARG A 121 -15.913 -7.736 8.035 1.00 0.00 O ATOM 1951 CB ARG A 121 -17.364 -10.312 9.189 1.00 0.00 C ATOM 1952 CG ARG A 121 -18.851 -10.312 8.830 1.00 0.00 C ATOM 1953 CD ARG A 121 -19.471 -8.933 9.063 1.00 0.00 C ATOM 1954 NE ARG A 121 -20.757 -9.071 9.783 1.00 0.00 N ATOM 1955 CZ ARG A 121 -21.622 -8.066 9.975 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -21.345 -6.844 9.502 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.765 -8.284 10.640 1.00 0.00 N ATOM 0 H ARG A 121 -15.531 -11.873 8.369 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.152 -9.816 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.095 -11.268 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.166 -9.542 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.977 -10.600 7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -19.374 -11.056 9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.787 -8.310 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.631 -8.431 8.109 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.000 -9.989 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.475 -6.678 8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.004 -6.079 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.976 -9.215 11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.424 -7.519 10.786 1.00 0.00 H new ATOM 1971 N CYS A 122 -14.351 -9.244 8.669 1.00 0.00 N ATOM 1972 CA CYS A 122 -13.345 -8.240 8.973 1.00 0.00 C ATOM 1973 C CYS A 122 -13.064 -7.441 7.699 1.00 0.00 C ATOM 1974 O CYS A 122 -13.006 -6.212 7.733 1.00 0.00 O ATOM 1975 CB CYS A 122 -12.073 -8.869 9.544 1.00 0.00 C ATOM 1976 SG CYS A 122 -11.683 -8.125 11.170 1.00 0.00 S ATOM 0 H CYS A 122 -14.053 -10.207 8.825 1.00 0.00 H new ATOM 0 HA CYS A 122 -13.719 -7.569 9.747 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -12.206 -9.946 9.650 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.241 -8.716 8.856 1.00 0.00 H new ATOM 0 HG CYS A 122 -10.769 -7.212 11.022 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.898 -8.170 6.606 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.625 -7.544 5.323 1.00 0.00 C ATOM 1984 C LEU A 123 -13.716 -6.516 5.019 1.00 0.00 C ATOM 1985 O LEU A 123 -13.439 -5.322 4.921 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.459 -8.606 4.233 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.552 -8.106 2.790 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.160 -7.933 2.180 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.437 -9.025 1.947 1.00 0.00 C ATOM 0 H LEU A 123 -12.947 -9.189 6.582 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.679 -7.004 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.491 -9.088 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.220 -9.372 4.381 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.025 -7.124 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.254 -7.577 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.594 -7.208 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.639 -8.890 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.486 -8.647 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.016 -10.031 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.440 -9.054 2.372 1.00 0.00 H new ATOM 2001 N HIS A 124 -14.934 -7.018 4.879 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.069 -6.158 4.588 1.00 0.00 C ATOM 2003 C HIS A 124 -15.942 -4.856 5.381 1.00 0.00 C ATOM 2004 O HIS A 124 -15.914 -3.772 4.800 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.387 -6.889 4.854 1.00 0.00 C ATOM 2006 CG HIS A 124 -17.660 -8.029 3.903 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -17.836 -7.845 2.543 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -17.784 -9.368 4.130 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -18.056 -9.027 1.986 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.024 -9.970 2.971 1.00 0.00 N ATOM 0 H HIS A 124 -15.160 -8.009 4.962 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.072 -5.899 3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.377 -7.274 5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.207 -6.173 4.792 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -17.802 -6.951 2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.701 -9.856 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.230 -9.211 0.936 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -18.162 -10.972 2.839 1.00 0.00 H new ATOM 2018 N MET A 125 -15.869 -5.005 6.695 1.00 0.00 N ATOM 2019 CA MET A 125 -15.746 -3.855 7.574 1.00 0.00 C ATOM 2020 C MET A 125 -14.683 -2.883 7.058 1.00 0.00 C ATOM 2021 O MET A 125 -14.957 -1.698 6.873 1.00 0.00 O ATOM 2022 CB MET A 125 -15.371 -4.324 8.981 1.00 0.00 C ATOM 2023 CG MET A 125 -16.115 -3.515 10.045 1.00 0.00 C ATOM 2024 SD MET A 125 -15.025 -3.158 11.413 1.00 0.00 S ATOM 2025 CE MET A 125 -14.071 -4.666 11.451 1.00 0.00 C ATOM 0 H MET A 125 -15.893 -5.906 7.173 1.00 0.00 H new ATOM 0 HA MET A 125 -16.704 -3.336 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.609 -5.382 9.091 1.00 0.00 H new ATOM 0 HB3 MET A 125 -14.296 -4.222 9.128 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.487 -2.586 9.613 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.983 -4.073 10.397 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.630 -4.793 12.440 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.721 -5.513 11.232 1.00 0.00 H new ATOM 0 HE3 MET A 125 -13.278 -4.614 10.705 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.491 -3.420 6.842 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.385 -2.615 6.352 1.00 0.00 C ATOM 2037 C PHE A 126 -12.717 -1.997 4.992 1.00 0.00 C ATOM 2038 O PHE A 126 -12.258 -0.900 4.676 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.186 -3.552 6.193 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.059 -2.980 5.331 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -10.180 -2.963 3.977 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -8.936 -2.487 5.920 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -9.134 -2.432 3.177 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -7.890 -1.956 5.120 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.011 -1.940 3.765 1.00 0.00 C ATOM 0 H PHE A 126 -13.267 -4.403 6.997 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.178 -1.803 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.790 -3.789 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -11.526 -4.489 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -11.072 -3.353 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -8.840 -2.500 6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -9.230 -2.419 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.998 -1.565 5.587 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.215 -1.537 3.156 1.00 0.00 H new ATOM 2055 N LEU A 127 -13.514 -2.726 4.225 1.00 0.00 N ATOM 2056 CA LEU A 127 -13.913 -2.263 2.907 1.00 0.00 C ATOM 2057 C LEU A 127 -14.981 -1.178 3.054 1.00 0.00 C ATOM 2058 O LEU A 127 -14.853 -0.094 2.487 1.00 0.00 O ATOM 2059 CB LEU A 127 -14.350 -3.441 2.034 1.00 0.00 C ATOM 2060 CG LEU A 127 -13.228 -4.338 1.507 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -13.783 -5.670 1.000 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -12.405 -3.616 0.438 1.00 0.00 C ATOM 0 H LEU A 127 -13.894 -3.634 4.491 1.00 0.00 H new ATOM 0 HA LEU A 127 -13.067 -1.810 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.041 -4.057 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -14.906 -3.050 1.182 1.00 0.00 H new ATOM 0 HG LEU A 127 -12.555 -4.564 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.965 -6.288 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.290 -6.187 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.491 -5.485 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -11.614 -4.276 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.052 -3.340 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -11.961 -2.717 0.866 1.00 0.00 H new ATOM 2074 N GLN A 128 -16.012 -1.506 3.819 1.00 0.00 N ATOM 2075 CA GLN A 128 -17.101 -0.573 4.049 1.00 0.00 C ATOM 2076 C GLN A 128 -17.179 -0.202 5.531 1.00 0.00 C ATOM 2077 O GLN A 128 -16.180 0.194 6.129 1.00 0.00 O ATOM 2078 CB GLN A 128 -18.430 -1.151 3.558 1.00 0.00 C ATOM 2079 CG GLN A 128 -18.296 -1.703 2.137 1.00 0.00 C ATOM 2080 CD GLN A 128 -19.603 -2.354 1.676 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.211 -3.148 2.375 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -19.998 -1.974 0.465 1.00 0.00 N ATOM 0 H GLN A 128 -16.116 -2.406 4.288 1.00 0.00 H new ATOM 0 HA GLN A 128 -16.903 0.334 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -18.757 -1.944 4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -19.198 -0.378 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -18.026 -0.898 1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -17.489 -2.435 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -19.441 -1.305 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -20.858 -2.351 0.067 1.00 0.00 H new ATOM 2091 N GLU A 129 -18.376 -0.343 6.081 1.00 0.00 N ATOM 2092 CA GLU A 129 -18.598 -0.027 7.482 1.00 0.00 C ATOM 2093 C GLU A 129 -18.228 1.431 7.763 1.00 0.00 C ATOM 2094 O GLU A 129 -17.183 1.906 7.322 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.811 -0.976 8.389 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.717 -2.073 8.951 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.968 -1.865 10.446 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.065 -1.299 11.100 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -20.057 -2.276 10.902 1.00 0.00 O ATOM 0 H GLU A 129 -19.202 -0.672 5.582 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.657 -0.161 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.993 -1.427 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -17.363 -0.414 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.667 -2.075 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.258 -3.048 8.788 1.00 0.00 H new ATOM 2106 N GLU A 130 -19.107 2.100 8.494 1.00 0.00 N ATOM 2107 CA GLU A 130 -18.886 3.495 8.838 1.00 0.00 C ATOM 2108 C GLU A 130 -17.426 3.719 9.237 1.00 0.00 C ATOM 2109 O GLU A 130 -16.760 4.600 8.696 1.00 0.00 O ATOM 2110 CB GLU A 130 -19.834 3.940 9.954 1.00 0.00 C ATOM 2111 CG GLU A 130 -20.178 2.772 10.880 1.00 0.00 C ATOM 2112 CD GLU A 130 -21.573 2.223 10.575 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -21.824 1.942 9.383 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -22.358 2.098 11.540 1.00 0.00 O ATOM 0 H GLU A 130 -19.973 1.703 8.858 1.00 0.00 H new ATOM 0 HA GLU A 130 -19.099 4.104 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -19.372 4.742 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -20.748 4.346 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -19.438 1.980 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -20.132 3.101 11.918 1.00 0.00 H new ATOM 2121 N ALA A 131 -16.972 2.905 10.179 1.00 0.00 N ATOM 2122 CA ALA A 131 -15.603 3.003 10.655 1.00 0.00 C ATOM 2123 C ALA A 131 -15.163 1.648 11.213 1.00 0.00 C ATOM 2124 O ALA A 131 -15.908 1.005 11.950 1.00 0.00 O ATOM 2125 CB ALA A 131 -15.503 4.121 11.695 1.00 0.00 C ATOM 0 H ALA A 131 -17.528 2.175 10.625 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.930 3.257 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -14.476 4.195 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.798 5.067 11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -16.164 3.899 12.533 1.00 0.00 H new ATOM 2131 N ILE A 132 -13.954 1.254 10.839 1.00 0.00 N ATOM 2132 CA ILE A 132 -13.407 -0.013 11.292 1.00 0.00 C ATOM 2133 C ILE A 132 -13.463 -0.070 12.820 1.00 0.00 C ATOM 2134 O ILE A 132 -13.641 0.954 13.477 1.00 0.00 O ATOM 2135 CB ILE A 132 -12.004 -0.225 10.720 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -12.061 -0.509 9.218 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.261 -1.325 11.483 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.687 -0.918 8.684 1.00 0.00 C ATOM 0 H ILE A 132 -13.338 1.790 10.227 1.00 0.00 H new ATOM 0 HA ILE A 132 -14.007 -0.843 10.919 1.00 0.00 H new ATOM 0 HB ILE A 132 -11.439 0.698 10.852 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.782 -1.302 9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.411 0.378 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.267 -1.456 11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -11.172 -1.043 12.532 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.815 -2.260 11.404 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.756 -1.114 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.974 -0.113 8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.351 -1.819 9.197 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.307 -1.279 13.341 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.338 -1.483 14.779 1.00 0.00 C ATOM 2152 C ASP A 133 -12.308 -2.548 15.161 1.00 0.00 C ATOM 2153 O ASP A 133 -12.361 -3.673 14.668 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.714 -1.971 15.237 1.00 0.00 C ATOM 2155 CG ASP A 133 -14.876 -2.124 16.751 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -14.192 -1.367 17.473 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -15.680 -2.993 17.151 1.00 0.00 O ATOM 0 H ASP A 133 -13.159 -2.126 12.793 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.115 -0.530 15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.469 -1.273 14.875 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.917 -2.933 14.766 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.394 -2.155 16.036 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.353 -3.061 16.490 1.00 0.00 C ATOM 2164 C ARG A 134 -10.832 -3.851 17.709 1.00 0.00 C ATOM 2165 O ARG A 134 -10.069 -4.072 18.649 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.078 -2.298 16.854 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.581 -1.465 15.670 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.053 -1.399 15.650 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.602 -0.015 15.917 1.00 0.00 N ATOM 2170 CZ ARG A 134 -6.420 0.492 17.144 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -6.650 -0.268 18.224 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -6.009 1.758 17.292 1.00 0.00 N ATOM 0 H ARG A 134 -11.353 -1.221 16.443 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.131 -3.747 15.672 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.271 -1.646 17.706 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.303 -3.002 17.159 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.942 -1.900 14.738 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.991 -0.457 15.732 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.642 -2.075 16.400 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.679 -1.732 14.682 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.418 0.591 15.117 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.963 -1.232 18.112 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.511 0.118 19.158 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.834 2.337 16.471 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.871 2.143 18.226 1.00 0.00 H new