USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 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 Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.116 K(o=-0.12,f=-3.1!) USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0444 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.346 F(o=-1.7!,f=-0.35) USER MOD Single : A 50 CYS SG : rot 52:sc= -0.444 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0179 (180deg=-0.412) USER MOD Single : A 59 THR OG1 : rot -52:sc= -0.0569 USER MOD Single : A 61 MET CE :methyl 178:sc= -0.803 (180deg=-0.861) USER MOD Single : A 67 SER OG : rot -156:sc= -0.986 USER MOD Single : A 68 GLN : amide:sc= -2.07! C(o=-2.1!,f=-1.7!) USER MOD Single : A 69 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 71 ASN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.346 F(o=-1.3,f=-0.35) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -15.173 -3.447 -13.503 1.00 0.00 N ATOM 68 CA ARG A 20 -15.457 -2.025 -13.198 1.00 0.00 C ATOM 69 C ARG A 20 -14.150 -1.245 -12.970 1.00 0.00 C ATOM 70 O ARG A 20 -13.176 -1.791 -12.490 1.00 0.00 O ATOM 71 CB ARG A 20 -16.296 -1.972 -11.912 1.00 0.00 C ATOM 72 CG ARG A 20 -17.556 -2.821 -12.098 1.00 0.00 C ATOM 73 CD ARG A 20 -17.959 -3.423 -10.751 1.00 0.00 C ATOM 74 NE ARG A 20 -19.439 -3.593 -10.716 1.00 0.00 N ATOM 75 CZ ARG A 20 -20.025 -4.295 -11.647 1.00 0.00 C ATOM 76 NH1 ARG A 20 -19.387 -5.306 -12.170 1.00 0.00 N ATOM 77 NH2 ARG A 20 -21.231 -3.963 -12.021 1.00 0.00 N ATOM 0 HA ARG A 20 -15.989 -1.575 -14.036 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.714 -2.343 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.568 -0.942 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.367 -2.209 -12.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.372 -3.613 -12.824 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.467 -4.385 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.636 -2.774 -9.937 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.989 -3.165 -9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.446 -5.536 -11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.829 -5.866 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.699 -3.167 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.706 -4.499 -12.747 1.00 0.00 H new ATOM 91 N PRO A 21 -14.159 0.034 -13.321 1.00 0.00 N ATOM 92 CA PRO A 21 -12.978 0.884 -13.155 1.00 0.00 C ATOM 93 C PRO A 21 -12.535 0.948 -11.694 1.00 0.00 C ATOM 94 O PRO A 21 -11.579 1.623 -11.363 1.00 0.00 O ATOM 95 CB PRO A 21 -13.430 2.287 -13.615 1.00 0.00 C ATOM 96 CG PRO A 21 -14.931 2.182 -14.023 1.00 0.00 C ATOM 97 CD PRO A 21 -15.336 0.705 -13.894 1.00 0.00 C ATOM 0 HA PRO A 21 -12.133 0.497 -13.724 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.300 3.014 -12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.826 2.628 -14.456 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.549 2.808 -13.379 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.077 2.533 -15.045 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.208 0.590 -13.250 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.598 0.282 -14.864 1.00 0.00 H new ATOM 105 N GLU A 22 -13.235 0.245 -10.849 1.00 0.00 N ATOM 106 CA GLU A 22 -12.867 0.257 -9.412 1.00 0.00 C ATOM 107 C GLU A 22 -11.463 -0.301 -9.202 1.00 0.00 C ATOM 108 O GLU A 22 -10.653 0.292 -8.522 1.00 0.00 O ATOM 109 CB GLU A 22 -13.870 -0.623 -8.650 1.00 0.00 C ATOM 110 CG GLU A 22 -15.257 0.015 -8.730 1.00 0.00 C ATOM 111 CD GLU A 22 -15.310 1.223 -7.792 1.00 0.00 C ATOM 112 OE1 GLU A 22 -14.301 1.453 -7.148 1.00 0.00 O ATOM 113 OE2 GLU A 22 -16.358 1.848 -7.774 1.00 0.00 O ATOM 0 H GLU A 22 -14.040 -0.333 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.888 1.284 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.892 -1.625 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.564 -0.728 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.470 0.324 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.021 -0.711 -8.451 1.00 0.00 H new ATOM 120 N GLU A 23 -11.203 -1.434 -9.792 1.00 0.00 N ATOM 121 CA GLU A 23 -9.859 -2.043 -9.636 1.00 0.00 C ATOM 122 C GLU A 23 -8.774 -1.083 -10.102 1.00 0.00 C ATOM 123 O GLU A 23 -7.820 -0.831 -9.394 1.00 0.00 O ATOM 124 CB GLU A 23 -9.800 -3.315 -10.499 1.00 0.00 C ATOM 125 CG GLU A 23 -10.997 -4.208 -10.162 1.00 0.00 C ATOM 126 CD GLU A 23 -10.605 -5.179 -9.047 1.00 0.00 C ATOM 127 OE1 GLU A 23 -9.659 -4.851 -8.350 1.00 0.00 O ATOM 128 OE2 GLU A 23 -11.274 -6.196 -8.955 1.00 0.00 O ATOM 0 H GLU A 23 -11.859 -1.959 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.692 -2.275 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.814 -3.052 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.868 -3.850 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.844 -3.598 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.314 -4.761 -11.047 1.00 0.00 H new ATOM 135 N ILE A 24 -8.935 -0.566 -11.288 1.00 0.00 N ATOM 136 CA ILE A 24 -7.921 0.376 -11.809 1.00 0.00 C ATOM 137 C ILE A 24 -7.701 1.518 -10.829 1.00 0.00 C ATOM 138 O ILE A 24 -6.602 2.019 -10.693 1.00 0.00 O ATOM 139 CB ILE A 24 -8.429 0.953 -13.131 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.581 -0.162 -14.162 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.401 1.975 -13.648 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.219 -0.468 -14.796 1.00 0.00 C ATOM 0 H ILE A 24 -9.720 -0.756 -11.911 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.979 -0.154 -11.952 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.396 1.430 -12.973 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.981 -1.058 -13.687 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.293 0.136 -14.932 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.749 2.396 -14.591 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.282 2.774 -12.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.442 1.480 -13.803 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.331 -1.265 -15.532 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.836 0.427 -15.286 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.520 -0.785 -14.022 1.00 0.00 H new ATOM 154 N GLU A 25 -8.750 1.911 -10.161 1.00 0.00 N ATOM 155 CA GLU A 25 -8.612 3.018 -9.186 1.00 0.00 C ATOM 156 C GLU A 25 -7.633 2.638 -8.085 1.00 0.00 C ATOM 157 O GLU A 25 -6.683 3.351 -7.826 1.00 0.00 O ATOM 158 CB GLU A 25 -9.987 3.294 -8.558 1.00 0.00 C ATOM 159 CG GLU A 25 -9.945 4.636 -7.823 1.00 0.00 C ATOM 160 CD GLU A 25 -9.781 5.768 -8.841 1.00 0.00 C ATOM 161 OE1 GLU A 25 -10.464 5.692 -9.848 1.00 0.00 O ATOM 162 OE2 GLU A 25 -8.985 6.646 -8.550 1.00 0.00 O ATOM 0 H GLU A 25 -9.686 1.516 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.239 3.904 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.756 3.313 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.251 2.495 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.861 4.778 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.119 4.648 -7.112 1.00 0.00 H new ATOM 169 N GLU A 26 -7.877 1.519 -7.452 1.00 0.00 N ATOM 170 CA GLU A 26 -6.959 1.092 -6.366 1.00 0.00 C ATOM 171 C GLU A 26 -5.548 0.944 -6.907 1.00 0.00 C ATOM 172 O GLU A 26 -4.593 1.397 -6.304 1.00 0.00 O ATOM 173 CB GLU A 26 -7.429 -0.270 -5.825 1.00 0.00 C ATOM 174 CG GLU A 26 -7.070 -0.375 -4.341 1.00 0.00 C ATOM 175 CD GLU A 26 -5.580 -0.694 -4.205 1.00 0.00 C ATOM 176 OE1 GLU A 26 -5.224 -1.795 -4.596 1.00 0.00 O ATOM 177 OE2 GLU A 26 -4.881 0.178 -3.717 1.00 0.00 O ATOM 0 H GLU A 26 -8.661 0.894 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.965 1.840 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.506 -0.376 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.957 -1.079 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.302 0.560 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.666 -1.154 -3.865 1.00 0.00 H new ATOM 184 N LEU A 27 -5.441 0.310 -8.039 1.00 0.00 N ATOM 185 CA LEU A 27 -4.108 0.116 -8.648 1.00 0.00 C ATOM 186 C LEU A 27 -3.460 1.477 -8.910 1.00 0.00 C ATOM 187 O LEU A 27 -2.304 1.703 -8.586 1.00 0.00 O ATOM 188 CB LEU A 27 -4.324 -0.643 -9.985 1.00 0.00 C ATOM 189 CG LEU A 27 -2.983 -1.016 -10.652 1.00 0.00 C ATOM 190 CD1 LEU A 27 -2.499 0.156 -11.497 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.925 -1.355 -9.598 1.00 0.00 C ATOM 0 H LEU A 27 -6.222 -0.081 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.451 -0.450 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.903 -1.548 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.909 -0.024 -10.665 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.138 -1.893 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.552 -0.103 -11.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.239 0.381 -12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.360 1.030 -10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.989 -1.615 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.767 -0.492 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.265 -2.200 -8.999 1.00 0.00 H new ATOM 203 N ARG A 28 -4.226 2.370 -9.473 1.00 0.00 N ATOM 204 CA ARG A 28 -3.686 3.715 -9.764 1.00 0.00 C ATOM 205 C ARG A 28 -3.242 4.417 -8.487 1.00 0.00 C ATOM 206 O ARG A 28 -2.164 4.975 -8.429 1.00 0.00 O ATOM 207 CB ARG A 28 -4.797 4.539 -10.422 1.00 0.00 C ATOM 208 CG ARG A 28 -4.341 5.992 -10.538 1.00 0.00 C ATOM 209 CD ARG A 28 -5.412 6.795 -11.278 1.00 0.00 C ATOM 210 NE ARG A 28 -6.595 5.919 -11.527 1.00 0.00 N ATOM 211 CZ ARG A 28 -7.710 6.453 -11.950 1.00 0.00 C ATOM 212 NH1 ARG A 28 -7.724 7.719 -12.264 1.00 0.00 N ATOM 213 NH2 ARG A 28 -8.774 5.702 -12.042 1.00 0.00 N ATOM 0 H ARG A 28 -5.199 2.222 -9.741 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.821 3.619 -10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.028 4.138 -11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.711 4.478 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.173 6.414 -9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.393 6.047 -11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.705 7.664 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.016 7.169 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.533 4.913 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.873 8.275 -12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.585 8.153 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.726 4.716 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.653 6.101 -12.370 1.00 0.00 H new ATOM 227 N GLU A 29 -4.080 4.386 -7.489 1.00 0.00 N ATOM 228 CA GLU A 29 -3.722 5.039 -6.233 1.00 0.00 C ATOM 229 C GLU A 29 -2.377 4.543 -5.724 1.00 0.00 C ATOM 230 O GLU A 29 -1.584 5.312 -5.219 1.00 0.00 O ATOM 231 CB GLU A 29 -4.800 4.693 -5.217 1.00 0.00 C ATOM 232 CG GLU A 29 -5.108 5.930 -4.403 1.00 0.00 C ATOM 233 CD GLU A 29 -5.897 6.924 -5.257 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.112 6.814 -5.234 1.00 0.00 O ATOM 235 OE2 GLU A 29 -5.241 7.740 -5.883 1.00 0.00 O ATOM 0 H GLU A 29 -4.994 3.933 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.647 6.116 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.698 4.340 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.462 3.886 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.683 5.661 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.182 6.389 -4.055 1.00 0.00 H new ATOM 242 N ALA A 30 -2.141 3.271 -5.861 1.00 0.00 N ATOM 243 CA ALA A 30 -0.852 2.724 -5.386 1.00 0.00 C ATOM 244 C ALA A 30 0.310 3.434 -6.072 1.00 0.00 C ATOM 245 O ALA A 30 1.162 4.006 -5.420 1.00 0.00 O ATOM 246 CB ALA A 30 -0.799 1.229 -5.731 1.00 0.00 C ATOM 0 H ALA A 30 -2.781 2.595 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.771 2.873 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.146 0.810 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.625 0.713 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.881 1.102 -6.810 1.00 0.00 H new ATOM 252 N PHE A 31 0.322 3.394 -7.379 1.00 0.00 N ATOM 253 CA PHE A 31 1.430 4.070 -8.112 1.00 0.00 C ATOM 254 C PHE A 31 1.625 5.478 -7.604 1.00 0.00 C ATOM 255 O PHE A 31 2.734 5.954 -7.476 1.00 0.00 O ATOM 256 CB PHE A 31 1.045 4.166 -9.592 1.00 0.00 C ATOM 257 CG PHE A 31 2.260 4.619 -10.402 1.00 0.00 C ATOM 258 CD1 PHE A 31 3.145 3.689 -10.907 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.480 5.961 -10.654 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.229 4.088 -11.651 1.00 0.00 C ATOM 261 CE2 PHE A 31 3.567 6.359 -11.401 1.00 0.00 C ATOM 262 CZ PHE A 31 4.441 5.420 -11.898 1.00 0.00 C ATOM 0 H PHE A 31 -0.375 2.931 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 31 2.346 3.497 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.694 3.199 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.224 4.871 -9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.984 2.638 -10.716 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.796 6.700 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.915 3.351 -12.042 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.733 7.408 -11.596 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.294 5.732 -12.483 1.00 0.00 H new ATOM 272 N ARG A 32 0.538 6.114 -7.321 1.00 0.00 N ATOM 273 CA ARG A 32 0.614 7.518 -6.815 1.00 0.00 C ATOM 274 C ARG A 32 0.968 7.560 -5.346 1.00 0.00 C ATOM 275 O ARG A 32 1.890 8.249 -4.953 1.00 0.00 O ATOM 276 CB ARG A 32 -0.749 8.175 -7.001 1.00 0.00 C ATOM 277 CG ARG A 32 -0.655 9.657 -6.613 1.00 0.00 C ATOM 278 CD ARG A 32 -0.142 10.460 -7.811 1.00 0.00 C ATOM 279 NE ARG A 32 0.168 11.850 -7.368 1.00 0.00 N ATOM 280 CZ ARG A 32 1.260 12.429 -7.793 1.00 0.00 C ATOM 281 NH1 ARG A 32 2.358 11.728 -7.859 1.00 0.00 N ATOM 282 NH2 ARG A 32 1.217 13.689 -8.134 1.00 0.00 N ATOM 0 H ARG A 32 -0.404 5.733 -7.414 1.00 0.00 H new ATOM 0 HA ARG A 32 1.390 8.043 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.074 8.078 -8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.495 7.673 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.633 10.027 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.016 9.781 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.750 9.989 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.891 10.476 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.466 12.344 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.354 10.746 -7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.221 12.161 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.340 14.206 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.060 14.156 -8.468 1.00 0.00 H new ATOM 296 N GLU A 33 0.218 6.844 -4.555 1.00 0.00 N ATOM 297 CA GLU A 33 0.505 6.835 -3.108 1.00 0.00 C ATOM 298 C GLU A 33 1.997 6.698 -2.884 1.00 0.00 C ATOM 299 O GLU A 33 2.504 7.014 -1.827 1.00 0.00 O ATOM 300 CB GLU A 33 -0.207 5.632 -2.478 1.00 0.00 C ATOM 301 CG GLU A 33 -0.047 5.698 -0.960 1.00 0.00 C ATOM 302 CD GLU A 33 -0.833 4.554 -0.320 1.00 0.00 C ATOM 303 OE1 GLU A 33 -2.048 4.615 -0.409 1.00 0.00 O ATOM 304 OE2 GLU A 33 -0.174 3.682 0.221 1.00 0.00 O ATOM 0 H GLU A 33 -0.573 6.272 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 33 0.157 7.764 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.264 5.637 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.214 4.702 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.007 5.626 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.407 6.656 -0.586 1.00 0.00 H new ATOM 311 N PHE A 34 2.671 6.231 -3.909 1.00 0.00 N ATOM 312 CA PHE A 34 4.133 6.052 -3.815 1.00 0.00 C ATOM 313 C PHE A 34 4.873 7.062 -4.684 1.00 0.00 C ATOM 314 O PHE A 34 6.032 7.338 -4.450 1.00 0.00 O ATOM 315 CB PHE A 34 4.466 4.640 -4.300 1.00 0.00 C ATOM 316 CG PHE A 34 4.315 3.677 -3.127 1.00 0.00 C ATOM 317 CD1 PHE A 34 3.075 3.157 -2.802 1.00 0.00 C ATOM 318 CD2 PHE A 34 5.410 3.332 -2.358 1.00 0.00 C ATOM 319 CE1 PHE A 34 2.935 2.309 -1.727 1.00 0.00 C ATOM 320 CE2 PHE A 34 5.266 2.482 -1.283 1.00 0.00 C ATOM 321 CZ PHE A 34 4.030 1.972 -0.968 1.00 0.00 C ATOM 0 H PHE A 34 2.259 5.969 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 34 4.445 6.203 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.801 4.352 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.483 4.604 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.211 3.418 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.384 3.731 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.963 1.908 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.127 2.216 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.919 1.307 -0.125 1.00 0.00 H new ATOM 331 N ASP A 35 4.196 7.605 -5.676 1.00 0.00 N ATOM 332 CA ASP A 35 4.881 8.599 -6.551 1.00 0.00 C ATOM 333 C ASP A 35 4.631 10.016 -6.059 1.00 0.00 C ATOM 334 O ASP A 35 4.459 10.927 -6.844 1.00 0.00 O ATOM 335 CB ASP A 35 4.332 8.468 -7.983 1.00 0.00 C ATOM 336 CG ASP A 35 5.197 9.304 -8.932 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.396 9.063 -8.927 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.612 10.137 -9.607 1.00 0.00 O ATOM 0 H ASP A 35 3.223 7.405 -5.908 1.00 0.00 H new ATOM 0 HA ASP A 35 5.953 8.402 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.336 7.423 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.297 8.807 -8.021 1.00 0.00 H new ATOM 343 N LYS A 36 4.613 10.179 -4.763 1.00 0.00 N ATOM 344 CA LYS A 36 4.376 11.531 -4.207 1.00 0.00 C ATOM 345 C LYS A 36 5.630 12.387 -4.330 1.00 0.00 C ATOM 346 O LYS A 36 5.574 13.597 -4.221 1.00 0.00 O ATOM 347 CB LYS A 36 4.016 11.388 -2.720 1.00 0.00 C ATOM 348 CG LYS A 36 2.776 10.498 -2.589 1.00 0.00 C ATOM 349 CD LYS A 36 1.966 10.938 -1.364 1.00 0.00 C ATOM 350 CE LYS A 36 2.735 10.573 -0.091 1.00 0.00 C ATOM 351 NZ LYS A 36 3.164 11.805 0.629 1.00 0.00 N ATOM 0 H LYS A 36 4.751 9.438 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 36 3.568 12.010 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.851 10.953 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.824 12.368 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.165 10.570 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.072 9.454 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.787 12.013 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.990 10.452 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.106 9.965 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.607 9.971 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.684 11.541 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.781 12.371 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.327 12.365 0.889 1.00 0.00 H new ATOM 365 N ASP A 37 6.744 11.743 -4.557 1.00 0.00 N ATOM 366 CA ASP A 37 8.010 12.503 -4.691 1.00 0.00 C ATOM 367 C ASP A 37 8.079 13.202 -6.043 1.00 0.00 C ATOM 368 O ASP A 37 9.108 13.723 -6.426 1.00 0.00 O ATOM 369 CB ASP A 37 9.183 11.515 -4.581 1.00 0.00 C ATOM 370 CG ASP A 37 9.308 10.730 -5.888 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.532 9.799 -6.036 1.00 0.00 O ATOM 372 OD2 ASP A 37 10.171 11.104 -6.663 1.00 0.00 O ATOM 0 H ASP A 37 6.827 10.731 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 37 8.059 13.257 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.109 12.053 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.021 10.832 -3.747 1.00 0.00 H new ATOM 377 N LYS A 38 6.976 13.200 -6.743 1.00 0.00 N ATOM 378 CA LYS A 38 6.952 13.859 -8.074 1.00 0.00 C ATOM 379 C LYS A 38 8.087 13.349 -8.956 1.00 0.00 C ATOM 380 O LYS A 38 9.118 13.983 -9.073 1.00 0.00 O ATOM 381 CB LYS A 38 7.125 15.374 -7.862 1.00 0.00 C ATOM 382 CG LYS A 38 5.745 16.014 -7.671 1.00 0.00 C ATOM 383 CD LYS A 38 5.075 16.201 -9.037 1.00 0.00 C ATOM 384 CE LYS A 38 4.048 17.331 -8.939 1.00 0.00 C ATOM 385 NZ LYS A 38 3.159 17.333 -10.137 1.00 0.00 N ATOM 0 H LYS A 38 6.097 12.772 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 38 6.006 13.636 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.751 15.563 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.630 15.819 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.125 15.384 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.845 16.976 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.823 16.437 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.588 15.276 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.450 17.210 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.560 18.290 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.468 18.106 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.732 17.470 -10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.657 16.424 -10.198 1.00 0.00 H new ATOM 399 N ASP A 39 7.875 12.206 -9.562 1.00 0.00 N ATOM 400 CA ASP A 39 8.918 11.634 -10.437 1.00 0.00 C ATOM 401 C ASP A 39 8.275 10.981 -11.652 1.00 0.00 C ATOM 402 O ASP A 39 8.909 10.792 -12.671 1.00 0.00 O ATOM 403 CB ASP A 39 9.678 10.573 -9.630 1.00 0.00 C ATOM 404 CG ASP A 39 10.483 9.684 -10.575 1.00 0.00 C ATOM 405 OD1 ASP A 39 11.041 10.246 -11.505 1.00 0.00 O ATOM 406 OD2 ASP A 39 10.498 8.491 -10.310 1.00 0.00 O ATOM 0 H ASP A 39 7.022 11.653 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 39 9.595 12.417 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.344 11.055 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.976 9.968 -9.056 1.00 0.00 H new ATOM 411 N GLY A 40 7.017 10.650 -11.515 1.00 0.00 N ATOM 412 CA GLY A 40 6.295 10.007 -12.647 1.00 0.00 C ATOM 413 C GLY A 40 6.777 8.569 -12.851 1.00 0.00 C ATOM 414 O GLY A 40 6.331 7.889 -13.754 1.00 0.00 O ATOM 0 H GLY A 40 6.463 10.797 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.223 10.012 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.454 10.582 -13.559 1.00 0.00 H new ATOM 418 N TYR A 41 7.674 8.129 -12.007 1.00 0.00 N ATOM 419 CA TYR A 41 8.184 6.729 -12.159 1.00 0.00 C ATOM 420 C TYR A 41 8.562 6.118 -10.813 1.00 0.00 C ATOM 421 O TYR A 41 8.784 6.825 -9.853 1.00 0.00 O ATOM 422 CB TYR A 41 9.446 6.759 -13.041 1.00 0.00 C ATOM 423 CG TYR A 41 9.236 7.720 -14.219 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.405 7.378 -15.265 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.878 8.940 -14.250 1.00 0.00 C ATOM 426 CE1 TYR A 41 8.217 8.242 -16.325 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.692 9.803 -15.310 1.00 0.00 C ATOM 428 CZ TYR A 41 8.860 9.461 -16.356 1.00 0.00 C ATOM 429 OH TYR A 41 8.672 10.327 -17.413 1.00 0.00 O ATOM 0 H TYR A 41 8.070 8.663 -11.234 1.00 0.00 H new ATOM 0 HA TYR A 41 7.393 6.126 -12.606 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.306 7.076 -12.451 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.665 5.758 -13.412 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.897 6.425 -15.255 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.532 9.222 -13.438 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.561 7.961 -17.136 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.202 10.755 -15.321 1.00 0.00 H new ATOM 0 HH TYR A 41 9.201 11.139 -17.269 1.00 0.00 H new ATOM 439 N ILE A 42 8.619 4.799 -10.773 1.00 0.00 N ATOM 440 CA ILE A 42 8.982 4.111 -9.501 1.00 0.00 C ATOM 441 C ILE A 42 10.103 3.111 -9.729 1.00 0.00 C ATOM 442 O ILE A 42 10.304 2.642 -10.831 1.00 0.00 O ATOM 443 CB ILE A 42 7.766 3.354 -8.960 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.802 3.035 -10.074 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.042 4.239 -7.943 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.674 2.171 -9.511 1.00 0.00 C ATOM 0 H ILE A 42 8.430 4.182 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 42 9.311 4.868 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 42 8.109 2.427 -8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.398 3.954 -10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.315 2.509 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.174 3.708 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.719 4.481 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.716 5.159 -8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.968 1.932 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.090 1.249 -9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.159 2.716 -8.720 1.00 0.00 H new ATOM 458 N ASN A 43 10.823 2.812 -8.678 1.00 0.00 N ATOM 459 CA ASN A 43 11.941 1.844 -8.800 1.00 0.00 C ATOM 460 C ASN A 43 11.510 0.473 -8.283 1.00 0.00 C ATOM 461 O ASN A 43 10.561 0.365 -7.532 1.00 0.00 O ATOM 462 CB ASN A 43 13.115 2.351 -7.949 1.00 0.00 C ATOM 463 CG ASN A 43 13.763 3.552 -8.645 1.00 0.00 C ATOM 464 OD1 ASN A 43 13.101 4.347 -9.279 1.00 0.00 O ATOM 465 ND2 ASN A 43 15.056 3.720 -8.550 1.00 0.00 N ATOM 0 H ASN A 43 10.681 3.198 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 43 12.232 1.753 -9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.764 2.637 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.849 1.557 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.502 4.515 -9.007 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.619 3.056 -8.019 1.00 0.00 H new ATOM 472 N CYS A 44 12.207 -0.547 -8.690 1.00 0.00 N ATOM 473 CA CYS A 44 11.837 -1.907 -8.224 1.00 0.00 C ATOM 474 C CYS A 44 11.835 -1.984 -6.696 1.00 0.00 C ATOM 475 O CYS A 44 11.139 -2.793 -6.117 1.00 0.00 O ATOM 476 CB CYS A 44 12.869 -2.904 -8.778 1.00 0.00 C ATOM 477 SG CYS A 44 14.539 -2.841 -8.085 1.00 0.00 S ATOM 0 H CYS A 44 13.009 -0.499 -9.319 1.00 0.00 H new ATOM 0 HA CYS A 44 10.834 -2.145 -8.578 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.479 -3.911 -8.628 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.944 -2.748 -9.854 1.00 0.00 H new ATOM 0 HG CYS A 44 15.280 -3.743 -8.656 1.00 0.00 H new ATOM 483 N ARG A 45 12.611 -1.143 -6.071 1.00 0.00 N ATOM 484 CA ARG A 45 12.656 -1.164 -4.584 1.00 0.00 C ATOM 485 C ARG A 45 11.378 -0.582 -4.004 1.00 0.00 C ATOM 486 O ARG A 45 10.952 -0.960 -2.932 1.00 0.00 O ATOM 487 CB ARG A 45 13.838 -0.301 -4.122 1.00 0.00 C ATOM 488 CG ARG A 45 13.465 1.173 -4.291 1.00 0.00 C ATOM 489 CD ARG A 45 14.726 2.032 -4.177 1.00 0.00 C ATOM 490 NE ARG A 45 14.721 2.728 -2.862 1.00 0.00 N ATOM 491 CZ ARG A 45 15.618 3.645 -2.619 1.00 0.00 C ATOM 492 NH1 ARG A 45 16.639 3.757 -3.425 1.00 0.00 N ATOM 493 NH2 ARG A 45 15.463 4.421 -1.583 1.00 0.00 N ATOM 0 H ARG A 45 13.209 -0.450 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 45 12.765 -2.194 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.076 -0.513 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 45 14.728 -0.535 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.990 1.331 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.742 1.466 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.616 1.409 -4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.760 2.760 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 45 14.023 2.491 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.726 3.134 -4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.350 4.467 -3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.651 4.306 -0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.154 5.143 -1.378 1.00 0.00 H new ATOM 507 N ASP A 46 10.790 0.330 -4.727 1.00 0.00 N ATOM 508 CA ASP A 46 9.540 0.950 -4.237 1.00 0.00 C ATOM 509 C ASP A 46 8.386 -0.039 -4.300 1.00 0.00 C ATOM 510 O ASP A 46 7.706 -0.264 -3.318 1.00 0.00 O ATOM 511 CB ASP A 46 9.210 2.153 -5.134 1.00 0.00 C ATOM 512 CG ASP A 46 10.015 3.367 -4.671 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.202 3.467 -3.469 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.399 4.127 -5.545 1.00 0.00 O ATOM 0 H ASP A 46 11.123 0.668 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 46 9.679 1.260 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.445 1.921 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.143 2.372 -5.090 1.00 0.00 H new ATOM 519 N LEU A 47 8.182 -0.615 -5.454 1.00 0.00 N ATOM 520 CA LEU A 47 7.076 -1.590 -5.592 1.00 0.00 C ATOM 521 C LEU A 47 7.028 -2.551 -4.421 1.00 0.00 C ATOM 522 O LEU A 47 5.983 -2.759 -3.851 1.00 0.00 O ATOM 523 CB LEU A 47 7.288 -2.376 -6.874 1.00 0.00 C ATOM 524 CG LEU A 47 6.631 -1.614 -8.010 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.449 -0.352 -8.308 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.593 -2.494 -9.235 1.00 0.00 C ATOM 0 H LEU A 47 8.731 -0.451 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 47 6.132 -1.045 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.353 -2.506 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.856 -3.373 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 47 5.616 -1.331 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.982 0.200 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.485 0.277 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.462 -0.634 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.122 -1.954 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.609 -2.769 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.020 -3.395 -9.018 1.00 0.00 H new ATOM 538 N GLY A 48 8.146 -3.151 -4.095 1.00 0.00 N ATOM 539 CA GLY A 48 8.136 -4.100 -2.947 1.00 0.00 C ATOM 540 C GLY A 48 7.349 -3.481 -1.805 1.00 0.00 C ATOM 541 O GLY A 48 6.577 -4.147 -1.138 1.00 0.00 O ATOM 0 H GLY A 48 9.044 -3.028 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.687 -5.047 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.156 -4.317 -2.628 1.00 0.00 H new ATOM 545 N ASN A 49 7.550 -2.212 -1.609 1.00 0.00 N ATOM 546 CA ASN A 49 6.823 -1.535 -0.527 1.00 0.00 C ATOM 547 C ASN A 49 5.408 -1.215 -0.990 1.00 0.00 C ATOM 548 O ASN A 49 4.501 -1.090 -0.187 1.00 0.00 O ATOM 549 CB ASN A 49 7.554 -0.230 -0.181 1.00 0.00 C ATOM 550 CG ASN A 49 6.980 0.345 1.119 1.00 0.00 C ATOM 551 OD1 ASN A 49 6.390 -0.459 1.965 1.00 0.00 O flip ATOM 552 ND2 ASN A 49 7.063 1.530 1.375 1.00 0.00 N flip ATOM 0 H ASN A 49 8.183 -1.624 -2.151 1.00 0.00 H new ATOM 0 HA ASN A 49 6.778 -2.180 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.622 -0.417 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.440 0.490 -0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.522 2.162 0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.674 1.892 2.245 1.00 0.00 H new ATOM 559 N CYS A 50 5.237 -1.090 -2.291 1.00 0.00 N ATOM 560 CA CYS A 50 3.891 -0.783 -2.810 1.00 0.00 C ATOM 561 C CYS A 50 3.073 -2.056 -2.845 1.00 0.00 C ATOM 562 O CYS A 50 1.873 -2.041 -2.657 1.00 0.00 O ATOM 563 CB CYS A 50 4.026 -0.232 -4.238 1.00 0.00 C ATOM 564 SG CYS A 50 2.740 0.905 -4.812 1.00 0.00 S ATOM 0 H CYS A 50 5.970 -1.188 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 50 3.401 -0.048 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.986 0.278 -4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.060 -1.078 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 50 2.594 1.866 -3.949 1.00 0.00 H new ATOM 570 N MET A 51 3.751 -3.145 -3.084 1.00 0.00 N ATOM 571 CA MET A 51 3.061 -4.442 -3.139 1.00 0.00 C ATOM 572 C MET A 51 2.490 -4.772 -1.772 1.00 0.00 C ATOM 573 O MET A 51 1.333 -5.134 -1.644 1.00 0.00 O ATOM 574 CB MET A 51 4.094 -5.513 -3.526 1.00 0.00 C ATOM 575 CG MET A 51 4.621 -5.224 -4.941 1.00 0.00 C ATOM 576 SD MET A 51 4.228 -6.427 -6.233 1.00 0.00 S ATOM 577 CE MET A 51 2.496 -5.956 -6.456 1.00 0.00 C ATOM 0 H MET A 51 4.758 -3.181 -3.243 1.00 0.00 H new ATOM 0 HA MET A 51 2.250 -4.408 -3.867 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.918 -5.515 -2.812 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.639 -6.503 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.234 -4.254 -5.254 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.706 -5.131 -4.885 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.045 -6.583 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.959 -6.090 -5.517 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.439 -4.911 -6.761 1.00 0.00 H new ATOM 587 N ARG A 52 3.313 -4.641 -0.763 1.00 0.00 N ATOM 588 CA ARG A 52 2.829 -4.941 0.600 1.00 0.00 C ATOM 589 C ARG A 52 1.676 -4.018 0.943 1.00 0.00 C ATOM 590 O ARG A 52 0.699 -4.430 1.537 1.00 0.00 O ATOM 591 CB ARG A 52 3.979 -4.705 1.593 1.00 0.00 C ATOM 592 CG ARG A 52 4.129 -5.939 2.487 1.00 0.00 C ATOM 593 CD ARG A 52 3.000 -5.953 3.522 1.00 0.00 C ATOM 594 NE ARG A 52 3.360 -5.040 4.645 1.00 0.00 N ATOM 595 CZ ARG A 52 3.202 -5.445 5.875 1.00 0.00 C ATOM 596 NH1 ARG A 52 4.183 -6.073 6.465 1.00 0.00 N ATOM 597 NH2 ARG A 52 2.069 -5.205 6.477 1.00 0.00 N ATOM 0 H ARG A 52 4.286 -4.342 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 52 2.491 -5.976 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.908 -4.515 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.777 -3.823 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.096 -6.846 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.097 -5.924 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.064 -5.634 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.844 -6.965 3.895 1.00 0.00 H new ATOM 0 HE ARG A 52 3.726 -4.108 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.056 -6.240 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.076 -6.397 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.326 -4.709 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.927 -5.514 7.439 1.00 0.00 H new ATOM 611 N THR A 53 1.811 -2.773 0.564 1.00 0.00 N ATOM 612 CA THR A 53 0.732 -1.807 0.856 1.00 0.00 C ATOM 613 C THR A 53 -0.531 -2.208 0.113 1.00 0.00 C ATOM 614 O THR A 53 -1.630 -1.971 0.570 1.00 0.00 O ATOM 615 CB THR A 53 1.173 -0.423 0.371 1.00 0.00 C ATOM 616 OG1 THR A 53 1.840 0.164 1.469 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.043 0.482 0.127 1.00 0.00 C ATOM 0 H THR A 53 2.618 -2.394 0.069 1.00 0.00 H new ATOM 0 HA THR A 53 0.532 -1.792 1.927 1.00 0.00 H new ATOM 0 HB THR A 53 1.765 -0.522 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.152 1.060 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.294 1.460 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.685 0.032 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.603 0.597 1.055 1.00 0.00 H new ATOM 625 N MET A 54 -0.346 -2.817 -1.030 1.00 0.00 N ATOM 626 CA MET A 54 -1.516 -3.248 -1.826 1.00 0.00 C ATOM 627 C MET A 54 -2.373 -4.214 -1.023 1.00 0.00 C ATOM 628 O MET A 54 -3.577 -4.066 -0.948 1.00 0.00 O ATOM 629 CB MET A 54 -1.006 -3.963 -3.092 1.00 0.00 C ATOM 630 CG MET A 54 -1.667 -3.337 -4.322 1.00 0.00 C ATOM 631 SD MET A 54 -1.054 -3.850 -5.947 1.00 0.00 S ATOM 632 CE MET A 54 -2.425 -4.955 -6.370 1.00 0.00 C ATOM 0 H MET A 54 0.564 -3.030 -1.439 1.00 0.00 H new ATOM 0 HA MET A 54 -2.117 -2.378 -2.089 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.078 -3.875 -3.162 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.237 -5.027 -3.042 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.734 -3.556 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.561 -2.255 -4.248 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.251 -5.391 -7.354 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.493 -5.750 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.357 -4.390 -6.383 1.00 0.00 H new ATOM 642 N GLY A 55 -1.738 -5.192 -0.433 1.00 0.00 N ATOM 643 CA GLY A 55 -2.510 -6.181 0.372 1.00 0.00 C ATOM 644 C GLY A 55 -1.674 -7.432 0.630 1.00 0.00 C ATOM 645 O GLY A 55 -2.200 -8.478 0.957 1.00 0.00 O ATOM 0 H GLY A 55 -0.731 -5.347 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.807 -5.734 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.426 -6.451 -0.154 1.00 0.00 H new ATOM 649 N TYR A 56 -0.386 -7.298 0.479 1.00 0.00 N ATOM 650 CA TYR A 56 0.499 -8.465 0.709 1.00 0.00 C ATOM 651 C TYR A 56 -0.080 -9.720 0.071 1.00 0.00 C ATOM 652 O TYR A 56 0.160 -10.819 0.529 1.00 0.00 O ATOM 653 CB TYR A 56 0.624 -8.688 2.226 1.00 0.00 C ATOM 654 CG TYR A 56 1.606 -9.833 2.494 1.00 0.00 C ATOM 655 CD1 TYR A 56 2.918 -9.745 2.075 1.00 0.00 C ATOM 656 CD2 TYR A 56 1.194 -10.967 3.165 1.00 0.00 C ATOM 657 CE1 TYR A 56 3.804 -10.774 2.323 1.00 0.00 C ATOM 658 CE2 TYR A 56 2.081 -11.997 3.413 1.00 0.00 C ATOM 659 CZ TYR A 56 3.393 -11.907 2.994 1.00 0.00 C ATOM 660 OH TYR A 56 4.279 -12.935 3.244 1.00 0.00 O ATOM 0 H TYR A 56 0.086 -6.436 0.208 1.00 0.00 H new ATOM 0 HA TYR A 56 1.473 -8.267 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.971 -7.776 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.351 -8.924 2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.254 -8.864 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.170 -11.050 3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.828 -10.691 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.745 -12.879 3.938 1.00 0.00 H new ATOM 0 HH TYR A 56 3.819 -13.653 3.727 1.00 0.00 H new ATOM 670 N MET A 57 -0.836 -9.535 -0.978 1.00 0.00 N ATOM 671 CA MET A 57 -1.432 -10.708 -1.653 1.00 0.00 C ATOM 672 C MET A 57 -0.372 -11.484 -2.444 1.00 0.00 C ATOM 673 O MET A 57 -0.381 -12.700 -2.469 1.00 0.00 O ATOM 674 CB MET A 57 -2.538 -10.232 -2.620 1.00 0.00 C ATOM 675 CG MET A 57 -3.037 -8.850 -2.186 1.00 0.00 C ATOM 676 SD MET A 57 -4.513 -8.205 -3.010 1.00 0.00 S ATOM 677 CE MET A 57 -5.694 -9.387 -2.317 1.00 0.00 C ATOM 0 H MET A 57 -1.061 -8.629 -1.389 1.00 0.00 H new ATOM 0 HA MET A 57 -1.851 -11.368 -0.893 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.151 -10.187 -3.638 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.364 -10.944 -2.624 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.236 -8.884 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.227 -8.136 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.706 -8.998 -2.428 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.610 -10.337 -2.845 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.478 -9.539 -1.260 1.00 0.00 H new ATOM 687 N PRO A 58 0.531 -10.757 -3.088 1.00 0.00 N ATOM 688 CA PRO A 58 1.590 -11.377 -3.874 1.00 0.00 C ATOM 689 C PRO A 58 2.657 -11.976 -2.963 1.00 0.00 C ATOM 690 O PRO A 58 2.420 -12.185 -1.789 1.00 0.00 O ATOM 691 CB PRO A 58 2.204 -10.218 -4.689 1.00 0.00 C ATOM 692 CG PRO A 58 1.528 -8.898 -4.197 1.00 0.00 C ATOM 693 CD PRO A 58 0.537 -9.286 -3.088 1.00 0.00 C ATOM 0 HA PRO A 58 1.209 -12.183 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.283 -10.175 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.032 -10.364 -5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.275 -8.200 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.012 -8.400 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.851 -8.892 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.457 -8.886 -3.288 1.00 0.00 H new ATOM 701 N THR A 59 3.814 -12.236 -3.519 1.00 0.00 N ATOM 702 CA THR A 59 4.908 -12.819 -2.698 1.00 0.00 C ATOM 703 C THR A 59 5.899 -11.746 -2.288 1.00 0.00 C ATOM 704 O THR A 59 5.692 -10.575 -2.542 1.00 0.00 O ATOM 705 CB THR A 59 5.648 -13.863 -3.534 1.00 0.00 C ATOM 706 OG1 THR A 59 6.635 -13.144 -4.246 1.00 0.00 O ATOM 707 CG2 THR A 59 4.735 -14.442 -4.616 1.00 0.00 C ATOM 0 H THR A 59 4.043 -12.070 -4.499 1.00 0.00 H new ATOM 0 HA THR A 59 4.475 -13.268 -1.804 1.00 0.00 H new ATOM 0 HB THR A 59 6.021 -14.656 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.217 -12.391 -4.715 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.284 -15.182 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.872 -14.915 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.398 -13.641 -5.274 1.00 0.00 H new ATOM 715 N GLU A 60 6.967 -12.174 -1.668 1.00 0.00 N ATOM 716 CA GLU A 60 8.003 -11.213 -1.221 1.00 0.00 C ATOM 717 C GLU A 60 9.254 -11.327 -2.084 1.00 0.00 C ATOM 718 O GLU A 60 10.265 -10.715 -1.800 1.00 0.00 O ATOM 719 CB GLU A 60 8.372 -11.553 0.231 1.00 0.00 C ATOM 720 CG GLU A 60 8.779 -10.272 0.959 1.00 0.00 C ATOM 721 CD GLU A 60 9.031 -10.587 2.437 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.894 -11.417 2.674 1.00 0.00 O ATOM 723 OE2 GLU A 60 8.347 -9.980 3.244 1.00 0.00 O ATOM 0 H GLU A 60 7.162 -13.152 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 60 7.614 -10.198 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.525 -12.018 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.190 -12.273 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.678 -9.853 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.994 -9.521 0.864 1.00 0.00 H new ATOM 730 N MET A 61 9.163 -12.111 -3.128 1.00 0.00 N ATOM 731 CA MET A 61 10.335 -12.279 -4.021 1.00 0.00 C ATOM 732 C MET A 61 9.901 -12.435 -5.471 1.00 0.00 C ATOM 733 O MET A 61 10.695 -12.274 -6.376 1.00 0.00 O ATOM 734 CB MET A 61 11.086 -13.550 -3.603 1.00 0.00 C ATOM 735 CG MET A 61 10.693 -13.919 -2.175 1.00 0.00 C ATOM 736 SD MET A 61 11.501 -15.365 -1.432 1.00 0.00 S ATOM 737 CE MET A 61 12.898 -15.486 -2.584 1.00 0.00 C ATOM 0 H MET A 61 8.331 -12.637 -3.395 1.00 0.00 H new ATOM 0 HA MET A 61 10.968 -11.396 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.846 -14.368 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.162 -13.388 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.892 -13.057 -1.538 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.616 -14.088 -2.155 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.550 -16.305 -2.280 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.524 -15.674 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.460 -14.552 -2.574 1.00 0.00 H new ATOM 747 N GLU A 62 8.652 -12.749 -5.671 1.00 0.00 N ATOM 748 CA GLU A 62 8.166 -12.915 -7.060 1.00 0.00 C ATOM 749 C GLU A 62 8.073 -11.569 -7.752 1.00 0.00 C ATOM 750 O GLU A 62 8.538 -11.404 -8.869 1.00 0.00 O ATOM 751 CB GLU A 62 6.769 -13.556 -7.017 1.00 0.00 C ATOM 752 CG GLU A 62 6.465 -14.188 -8.377 1.00 0.00 C ATOM 753 CD GLU A 62 7.379 -15.398 -8.588 1.00 0.00 C ATOM 754 OE1 GLU A 62 7.741 -15.985 -7.582 1.00 0.00 O ATOM 755 OE2 GLU A 62 7.662 -15.668 -9.745 1.00 0.00 O ATOM 0 H GLU A 62 7.957 -12.896 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 62 8.862 -13.547 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.726 -14.312 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.018 -12.804 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.420 -14.495 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.618 -13.459 -9.172 1.00 0.00 H new ATOM 762 N LEU A 63 7.471 -10.624 -7.088 1.00 0.00 N ATOM 763 CA LEU A 63 7.353 -9.293 -7.706 1.00 0.00 C ATOM 764 C LEU A 63 8.705 -8.877 -8.241 1.00 0.00 C ATOM 765 O LEU A 63 8.808 -8.167 -9.222 1.00 0.00 O ATOM 766 CB LEU A 63 6.900 -8.286 -6.632 1.00 0.00 C ATOM 767 CG LEU A 63 7.997 -8.143 -5.567 1.00 0.00 C ATOM 768 CD1 LEU A 63 7.629 -7.015 -4.623 1.00 0.00 C ATOM 769 CD2 LEU A 63 8.106 -9.441 -4.768 1.00 0.00 C ATOM 0 H LEU A 63 7.064 -10.720 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 63 6.628 -9.319 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.695 -7.318 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.972 -8.624 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 63 8.949 -7.930 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.404 -6.908 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.540 -6.085 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.678 -7.240 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.885 -9.339 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.153 -9.650 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.358 -10.262 -5.440 1.00 0.00 H new ATOM 781 N ILE A 64 9.728 -9.337 -7.574 1.00 0.00 N ATOM 782 CA ILE A 64 11.080 -9.005 -7.995 1.00 0.00 C ATOM 783 C ILE A 64 11.370 -9.609 -9.364 1.00 0.00 C ATOM 784 O ILE A 64 11.842 -8.937 -10.241 1.00 0.00 O ATOM 785 CB ILE A 64 12.035 -9.575 -6.927 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.843 -8.449 -6.332 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.009 -10.599 -7.555 1.00 0.00 C ATOM 788 CD1 ILE A 64 11.904 -7.497 -5.591 1.00 0.00 C ATOM 0 H ILE A 64 9.664 -9.934 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 64 11.210 -7.927 -8.086 1.00 0.00 H new ATOM 0 HB ILE A 64 11.440 -10.070 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.593 -8.845 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.378 -7.914 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.674 -10.989 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.441 -11.420 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.599 -10.111 -8.331 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.481 -6.680 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.171 -7.093 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.389 -8.038 -4.797 1.00 0.00 H new ATOM 800 N GLU A 65 11.076 -10.869 -9.521 1.00 0.00 N ATOM 801 CA GLU A 65 11.337 -11.501 -10.834 1.00 0.00 C ATOM 802 C GLU A 65 10.784 -10.631 -11.941 1.00 0.00 C ATOM 803 O GLU A 65 11.371 -10.515 -12.997 1.00 0.00 O ATOM 804 CB GLU A 65 10.635 -12.870 -10.874 1.00 0.00 C ATOM 805 CG GLU A 65 11.054 -13.617 -12.145 1.00 0.00 C ATOM 806 CD GLU A 65 10.229 -14.900 -12.273 1.00 0.00 C ATOM 807 OE1 GLU A 65 9.077 -14.768 -12.656 1.00 0.00 O ATOM 808 OE2 GLU A 65 10.795 -15.940 -11.980 1.00 0.00 O ATOM 0 H GLU A 65 10.673 -11.476 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 65 12.411 -11.622 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.899 -13.453 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.553 -12.738 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.902 -12.984 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.117 -13.857 -12.106 1.00 0.00 H new ATOM 815 N LEU A 66 9.655 -10.032 -11.680 1.00 0.00 N ATOM 816 CA LEU A 66 9.049 -9.162 -12.710 1.00 0.00 C ATOM 817 C LEU A 66 9.833 -7.861 -12.817 1.00 0.00 C ATOM 818 O LEU A 66 10.393 -7.539 -13.860 1.00 0.00 O ATOM 819 CB LEU A 66 7.606 -8.843 -12.288 1.00 0.00 C ATOM 820 CG LEU A 66 6.859 -10.151 -12.010 1.00 0.00 C ATOM 821 CD1 LEU A 66 5.360 -9.858 -11.891 1.00 0.00 C ATOM 822 CD2 LEU A 66 7.088 -11.121 -13.170 1.00 0.00 C ATOM 0 H LEU A 66 9.135 -10.110 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 66 9.064 -9.669 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.606 -8.214 -11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.101 -8.282 -13.074 1.00 0.00 H new ATOM 0 HG LEU A 66 7.225 -10.593 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.823 -10.785 -11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.190 -9.158 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.000 -9.422 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.558 -12.053 -12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.716 -10.678 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.154 -11.324 -13.269 1.00 0.00 H new ATOM 834 N SER A 67 9.873 -7.135 -11.736 1.00 0.00 N ATOM 835 CA SER A 67 10.611 -5.862 -11.752 1.00 0.00 C ATOM 836 C SER A 67 12.090 -6.120 -12.006 1.00 0.00 C ATOM 837 O SER A 67 12.841 -5.212 -12.305 1.00 0.00 O ATOM 838 CB SER A 67 10.427 -5.180 -10.386 1.00 0.00 C ATOM 839 OG SER A 67 11.508 -5.667 -9.605 1.00 0.00 O ATOM 0 H SER A 67 9.426 -7.374 -10.851 1.00 0.00 H new ATOM 0 HA SER A 67 10.231 -5.220 -12.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.458 -4.094 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.466 -5.436 -9.939 1.00 0.00 H new ATOM 0 HG SER A 67 11.278 -5.606 -8.654 1.00 0.00 H new ATOM 845 N GLN A 68 12.481 -7.364 -11.880 1.00 0.00 N ATOM 846 CA GLN A 68 13.901 -7.712 -12.110 1.00 0.00 C ATOM 847 C GLN A 68 14.150 -7.779 -13.595 1.00 0.00 C ATOM 848 O GLN A 68 15.134 -7.265 -14.091 1.00 0.00 O ATOM 849 CB GLN A 68 14.184 -9.093 -11.491 1.00 0.00 C ATOM 850 CG GLN A 68 15.546 -9.594 -11.977 1.00 0.00 C ATOM 851 CD GLN A 68 15.356 -10.463 -13.224 1.00 0.00 C ATOM 852 OE1 GLN A 68 14.662 -11.460 -13.200 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.959 -10.122 -14.332 1.00 0.00 N ATOM 0 H GLN A 68 11.875 -8.145 -11.629 1.00 0.00 H new ATOM 0 HA GLN A 68 14.549 -6.962 -11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.175 -9.026 -10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.402 -9.798 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.196 -8.749 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.035 -10.169 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.543 -9.286 -14.358 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.846 -10.692 -15.170 1.00 0.00 H new ATOM 862 N GLN A 69 13.247 -8.420 -14.289 1.00 0.00 N ATOM 863 CA GLN A 69 13.408 -8.530 -15.743 1.00 0.00 C ATOM 864 C GLN A 69 13.566 -7.142 -16.322 1.00 0.00 C ATOM 865 O GLN A 69 14.311 -6.934 -17.260 1.00 0.00 O ATOM 866 CB GLN A 69 12.148 -9.182 -16.332 1.00 0.00 C ATOM 867 CG GLN A 69 12.269 -9.233 -17.856 1.00 0.00 C ATOM 868 CD GLN A 69 11.051 -9.958 -18.428 1.00 0.00 C ATOM 869 OE1 GLN A 69 11.168 -10.810 -19.287 1.00 0.00 O ATOM 870 NE2 GLN A 69 9.867 -9.653 -17.978 1.00 0.00 N ATOM 0 H GLN A 69 12.414 -8.865 -13.903 1.00 0.00 H new ATOM 0 HA GLN A 69 14.284 -9.133 -15.982 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.025 -10.188 -15.932 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.263 -8.614 -16.045 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.332 -8.224 -18.263 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.184 -9.750 -18.144 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.764 -8.939 -17.257 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.043 -10.129 -18.346 1.00 0.00 H new ATOM 879 N ILE A 70 12.851 -6.200 -15.745 1.00 0.00 N ATOM 880 CA ILE A 70 12.948 -4.816 -16.245 1.00 0.00 C ATOM 881 C ILE A 70 14.411 -4.445 -16.472 1.00 0.00 C ATOM 882 O ILE A 70 14.743 -3.754 -17.414 1.00 0.00 O ATOM 883 CB ILE A 70 12.327 -3.894 -15.177 1.00 0.00 C ATOM 884 CG1 ILE A 70 11.212 -3.078 -15.794 1.00 0.00 C ATOM 885 CG2 ILE A 70 13.396 -2.921 -14.624 1.00 0.00 C ATOM 886 CD1 ILE A 70 10.326 -2.540 -14.677 1.00 0.00 C ATOM 0 H ILE A 70 12.216 -6.341 -14.960 1.00 0.00 H new ATOM 0 HA ILE A 70 12.422 -4.711 -17.194 1.00 0.00 H new ATOM 0 HB ILE A 70 11.939 -4.514 -14.369 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.624 -2.256 -16.379 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.627 -3.693 -16.478 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.945 -2.275 -13.871 1.00 0.00 H new ATOM 0 HG22 ILE A 70 14.209 -3.491 -14.174 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.788 -2.311 -15.438 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.517 -1.949 -15.107 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.907 -3.373 -14.112 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.920 -1.913 -14.012 1.00 0.00 H new ATOM 898 N ASN A 71 15.254 -4.913 -15.595 1.00 0.00 N ATOM 899 CA ASN A 71 16.692 -4.605 -15.735 1.00 0.00 C ATOM 900 C ASN A 71 17.171 -4.928 -17.142 1.00 0.00 C ATOM 901 O ASN A 71 18.067 -4.292 -17.656 1.00 0.00 O ATOM 902 CB ASN A 71 17.468 -5.470 -14.730 1.00 0.00 C ATOM 903 CG ASN A 71 18.952 -5.109 -14.794 1.00 0.00 C ATOM 904 OD1 ASN A 71 19.786 -5.926 -15.129 1.00 0.00 O ATOM 905 ND2 ASN A 71 19.323 -3.896 -14.482 1.00 0.00 N ATOM 0 H ASN A 71 15.005 -5.492 -14.793 1.00 0.00 H new ATOM 0 HA ASN A 71 16.857 -3.544 -15.545 1.00 0.00 H new ATOM 0 HB2 ASN A 71 17.086 -5.308 -13.722 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.329 -6.527 -14.958 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.309 -3.639 -14.520 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.626 -3.206 -14.200 1.00 0.00 H new ATOM 912 N MET A 72 16.562 -5.916 -17.739 1.00 0.00 N ATOM 913 CA MET A 72 16.963 -6.297 -19.110 1.00 0.00 C ATOM 914 C MET A 72 16.117 -5.551 -20.133 1.00 0.00 C ATOM 915 O MET A 72 15.905 -6.021 -21.234 1.00 0.00 O ATOM 916 CB MET A 72 16.737 -7.809 -19.281 1.00 0.00 C ATOM 917 CG MET A 72 17.759 -8.362 -20.278 1.00 0.00 C ATOM 918 SD MET A 72 19.514 -8.146 -19.881 1.00 0.00 S ATOM 919 CE MET A 72 20.177 -8.624 -21.499 1.00 0.00 C ATOM 0 H MET A 72 15.808 -6.470 -17.333 1.00 0.00 H new ATOM 0 HA MET A 72 18.012 -6.044 -19.266 1.00 0.00 H new ATOM 0 HB2 MET A 72 16.838 -8.315 -18.321 1.00 0.00 H new ATOM 0 HB3 MET A 72 15.724 -7.999 -19.637 1.00 0.00 H new ATOM 0 HG2 MET A 72 17.570 -9.429 -20.397 1.00 0.00 H new ATOM 0 HG3 MET A 72 17.573 -7.895 -21.245 1.00 0.00 H new ATOM 0 HE1 MET A 72 21.265 -8.562 -21.479 1.00 0.00 H new ATOM 0 HE2 MET A 72 19.876 -9.646 -21.728 1.00 0.00 H new ATOM 0 HE3 MET A 72 19.789 -7.952 -22.264 1.00 0.00 H new ATOM 929 N ASN A 73 15.644 -4.394 -19.744 1.00 0.00 N ATOM 930 CA ASN A 73 14.807 -3.592 -20.671 1.00 0.00 C ATOM 931 C ASN A 73 15.072 -2.101 -20.493 1.00 0.00 C ATOM 932 O ASN A 73 15.785 -1.498 -21.269 1.00 0.00 O ATOM 933 CB ASN A 73 13.333 -3.873 -20.349 1.00 0.00 C ATOM 934 CG ASN A 73 12.912 -5.188 -21.005 1.00 0.00 C ATOM 935 OD1 ASN A 73 12.870 -6.224 -20.372 1.00 0.00 O ATOM 936 ND2 ASN A 73 12.593 -5.193 -22.271 1.00 0.00 N ATOM 0 H ASN A 73 15.803 -3.976 -18.827 1.00 0.00 H new ATOM 0 HA ASN A 73 15.048 -3.867 -21.698 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.189 -3.930 -19.270 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.708 -3.057 -20.711 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.311 -6.063 -22.722 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.626 -4.327 -22.809 1.00 0.00 H new ATOM 943 N LEU A 74 14.489 -1.531 -19.472 1.00 0.00 N ATOM 944 CA LEU A 74 14.698 -0.084 -19.231 1.00 0.00 C ATOM 945 C LEU A 74 15.898 0.140 -18.323 1.00 0.00 C ATOM 946 O LEU A 74 16.986 0.421 -18.787 1.00 0.00 O ATOM 947 CB LEU A 74 13.442 0.489 -18.549 1.00 0.00 C ATOM 948 CG LEU A 74 12.330 0.655 -19.594 1.00 0.00 C ATOM 949 CD1 LEU A 74 11.149 -0.249 -19.228 1.00 0.00 C ATOM 950 CD2 LEU A 74 11.857 2.113 -19.605 1.00 0.00 C ATOM 0 H LEU A 74 13.883 -2.005 -18.802 1.00 0.00 H new ATOM 0 HA LEU A 74 14.881 0.413 -20.184 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.111 -0.176 -17.752 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.670 1.450 -18.088 1.00 0.00 H new ATOM 0 HG LEU A 74 12.713 0.383 -20.578 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.358 -0.132 -19.969 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.478 -1.288 -19.209 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.769 0.029 -18.245 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.067 2.234 -20.346 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.474 2.379 -18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.693 2.765 -19.857 1.00 0.00 H new ATOM 962 N GLY A 75 15.684 0.006 -17.042 1.00 0.00 N ATOM 963 CA GLY A 75 16.816 0.210 -16.093 1.00 0.00 C ATOM 964 C GLY A 75 16.310 0.440 -14.663 1.00 0.00 C ATOM 965 O GLY A 75 16.807 1.298 -13.961 1.00 0.00 O ATOM 0 H GLY A 75 14.788 -0.232 -16.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.472 -0.660 -16.113 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.411 1.065 -16.412 1.00 0.00 H new ATOM 969 N GLY A 76 15.332 -0.327 -14.259 1.00 0.00 N ATOM 970 CA GLY A 76 14.796 -0.154 -12.877 1.00 0.00 C ATOM 971 C GLY A 76 13.853 1.045 -12.812 1.00 0.00 C ATOM 972 O GLY A 76 13.772 1.719 -11.804 1.00 0.00 O ATOM 0 H GLY A 76 14.886 -1.056 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.267 -1.056 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.619 -0.014 -12.177 1.00 0.00 H new ATOM 976 N HIS A 77 13.162 1.285 -13.891 1.00 0.00 N ATOM 977 CA HIS A 77 12.219 2.426 -13.924 1.00 0.00 C ATOM 978 C HIS A 77 10.948 2.025 -14.643 1.00 0.00 C ATOM 979 O HIS A 77 10.997 1.505 -15.742 1.00 0.00 O ATOM 980 CB HIS A 77 12.876 3.591 -14.685 1.00 0.00 C ATOM 981 CG HIS A 77 12.916 4.828 -13.783 1.00 0.00 C ATOM 982 ND1 HIS A 77 13.288 4.942 -12.457 1.00 0.00 N flip ATOM 983 CD2 HIS A 77 12.594 5.983 -14.139 1.00 0.00 C flip ATOM 984 CE1 HIS A 77 13.160 6.241 -12.068 1.00 0.00 C flip ATOM 985 NE2 HIS A 77 12.719 6.814 -13.190 1.00 0.00 N flip ATOM 0 H HIS A 77 13.213 0.737 -14.750 1.00 0.00 H new ATOM 0 HA HIS A 77 11.977 2.726 -12.904 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.886 3.317 -14.991 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.316 3.808 -15.594 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.252 6.240 -15.131 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.362 6.689 -11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 77 12.507 7.808 -13.274 1.00 0.00 H new ATOM 993 N VAL A 78 9.833 2.266 -14.007 1.00 0.00 N ATOM 994 CA VAL A 78 8.539 1.907 -14.629 1.00 0.00 C ATOM 995 C VAL A 78 7.558 3.057 -14.560 1.00 0.00 C ATOM 996 O VAL A 78 7.415 3.709 -13.543 1.00 0.00 O ATOM 997 CB VAL A 78 7.962 0.689 -13.862 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.790 0.459 -12.623 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.505 0.946 -13.432 1.00 0.00 C ATOM 0 H VAL A 78 9.769 2.696 -13.084 1.00 0.00 H new ATOM 0 HA VAL A 78 8.699 1.669 -15.681 1.00 0.00 H new ATOM 0 HB VAL A 78 7.989 -0.179 -14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.394 -0.396 -12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.823 0.260 -12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.752 1.346 -11.990 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.125 0.076 -12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.467 1.819 -12.780 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.891 1.125 -14.315 1.00 0.00 H new ATOM 1009 N ASP A 79 6.916 3.290 -15.652 1.00 0.00 N ATOM 1010 CA ASP A 79 5.932 4.379 -15.705 1.00 0.00 C ATOM 1011 C ASP A 79 4.582 3.801 -15.373 1.00 0.00 C ATOM 1012 O ASP A 79 4.409 2.601 -15.428 1.00 0.00 O ATOM 1013 CB ASP A 79 5.906 4.952 -17.130 1.00 0.00 C ATOM 1014 CG ASP A 79 6.383 3.879 -18.112 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.836 2.790 -18.032 1.00 0.00 O ATOM 1016 OD2 ASP A 79 7.266 4.208 -18.887 1.00 0.00 O ATOM 0 H ASP A 79 7.032 2.766 -16.520 1.00 0.00 H new ATOM 0 HA ASP A 79 6.188 5.170 -15.000 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.897 5.275 -17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.547 5.831 -17.193 1.00 0.00 H new ATOM 1021 N PHE A 80 3.650 4.625 -15.005 1.00 0.00 N ATOM 1022 CA PHE A 80 2.328 4.065 -14.679 1.00 0.00 C ATOM 1023 C PHE A 80 1.882 3.092 -15.761 1.00 0.00 C ATOM 1024 O PHE A 80 0.924 2.366 -15.592 1.00 0.00 O ATOM 1025 CB PHE A 80 1.298 5.193 -14.561 1.00 0.00 C ATOM 1026 CG PHE A 80 0.007 4.601 -13.989 1.00 0.00 C ATOM 1027 CD1 PHE A 80 0.027 3.914 -12.790 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.186 4.708 -14.679 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.112 3.342 -12.291 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.332 4.132 -14.175 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.296 3.451 -12.978 1.00 0.00 C ATOM 0 H PHE A 80 3.745 5.637 -14.918 1.00 0.00 H new ATOM 0 HA PHE A 80 2.403 3.535 -13.729 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.673 5.985 -13.913 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.111 5.642 -15.537 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.952 3.827 -12.240 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.220 5.245 -15.616 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.079 2.804 -11.355 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.261 4.215 -14.720 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.196 3.004 -12.581 1.00 0.00 H new ATOM 1041 N ASP A 81 2.590 3.096 -16.861 1.00 0.00 N ATOM 1042 CA ASP A 81 2.229 2.182 -17.960 1.00 0.00 C ATOM 1043 C ASP A 81 2.849 0.805 -17.730 1.00 0.00 C ATOM 1044 O ASP A 81 2.176 -0.198 -17.836 1.00 0.00 O ATOM 1045 CB ASP A 81 2.768 2.762 -19.275 1.00 0.00 C ATOM 1046 CG ASP A 81 2.041 2.109 -20.451 1.00 0.00 C ATOM 1047 OD1 ASP A 81 1.158 1.316 -20.169 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.410 2.440 -21.566 1.00 0.00 O ATOM 0 H ASP A 81 3.398 3.694 -17.036 1.00 0.00 H new ATOM 0 HA ASP A 81 1.145 2.078 -18.003 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.622 3.842 -19.296 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.841 2.584 -19.352 1.00 0.00 H new ATOM 1053 N ASP A 82 4.126 0.773 -17.411 1.00 0.00 N ATOM 1054 CA ASP A 82 4.772 -0.538 -17.178 1.00 0.00 C ATOM 1055 C ASP A 82 4.279 -1.106 -15.866 1.00 0.00 C ATOM 1056 O ASP A 82 4.356 -2.280 -15.623 1.00 0.00 O ATOM 1057 CB ASP A 82 6.294 -0.336 -17.096 1.00 0.00 C ATOM 1058 CG ASP A 82 6.992 -1.695 -17.191 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.741 -2.494 -16.305 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.735 -1.856 -18.144 1.00 0.00 O ATOM 0 H ASP A 82 4.729 1.589 -17.306 1.00 0.00 H new ATOM 0 HA ASP A 82 4.530 -1.222 -17.992 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.630 0.315 -17.903 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.557 0.156 -16.159 1.00 0.00 H new ATOM 1065 N PHE A 83 3.777 -0.231 -15.054 1.00 0.00 N ATOM 1066 CA PHE A 83 3.250 -0.638 -13.731 1.00 0.00 C ATOM 1067 C PHE A 83 1.885 -1.282 -13.909 1.00 0.00 C ATOM 1068 O PHE A 83 1.600 -2.330 -13.356 1.00 0.00 O ATOM 1069 CB PHE A 83 3.122 0.662 -12.920 1.00 0.00 C ATOM 1070 CG PHE A 83 2.518 0.433 -11.534 1.00 0.00 C ATOM 1071 CD1 PHE A 83 3.296 -0.038 -10.487 1.00 0.00 C ATOM 1072 CD2 PHE A 83 1.232 0.864 -11.265 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.794 -0.057 -9.198 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.738 0.841 -9.980 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.511 0.390 -8.950 1.00 0.00 C ATOM 0 H PHE A 83 3.708 0.767 -15.254 1.00 0.00 H new ATOM 0 HA PHE A 83 3.897 -1.359 -13.231 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.106 1.117 -12.813 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.502 1.370 -13.470 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.298 -0.392 -10.679 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.609 1.222 -12.071 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.405 -0.421 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.268 1.182 -9.786 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.120 0.383 -7.943 1.00 0.00 H new ATOM 1085 N VAL A 84 1.074 -0.643 -14.698 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.279 -1.173 -14.951 1.00 0.00 C ATOM 1087 C VAL A 84 -0.205 -2.343 -15.925 1.00 0.00 C ATOM 1088 O VAL A 84 -1.024 -3.240 -15.890 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.103 -0.047 -15.601 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.231 -0.657 -16.435 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -1.696 0.848 -14.530 1.00 0.00 C ATOM 0 H VAL A 84 1.296 0.229 -15.179 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.730 -1.512 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.451 0.547 -16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.815 0.140 -16.896 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.806 -1.292 -17.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.877 -1.255 -15.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.277 1.642 -15.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.344 0.259 -13.881 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.893 1.288 -13.938 1.00 0.00 H new ATOM 1101 N GLU A 85 0.784 -2.305 -16.783 1.00 0.00 N ATOM 1102 CA GLU A 85 0.941 -3.397 -17.773 1.00 0.00 C ATOM 1103 C GLU A 85 1.611 -4.618 -17.152 1.00 0.00 C ATOM 1104 O GLU A 85 1.515 -5.701 -17.680 1.00 0.00 O ATOM 1105 CB GLU A 85 1.811 -2.883 -18.937 1.00 0.00 C ATOM 1106 CG GLU A 85 1.735 -3.873 -20.108 1.00 0.00 C ATOM 1107 CD GLU A 85 2.161 -3.168 -21.406 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.039 -1.953 -21.428 1.00 0.00 O ATOM 1109 OE2 GLU A 85 2.581 -3.885 -22.299 1.00 0.00 O ATOM 0 H GLU A 85 1.484 -1.565 -16.835 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.047 -3.694 -18.125 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.467 -1.899 -19.256 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.844 -2.769 -18.610 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.383 -4.728 -19.917 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.720 -4.258 -20.207 1.00 0.00 H new ATOM 1116 N LEU A 86 2.291 -4.429 -16.047 1.00 0.00 N ATOM 1117 CA LEU A 86 2.957 -5.596 -15.411 1.00 0.00 C ATOM 1118 C LEU A 86 2.003 -6.279 -14.441 1.00 0.00 C ATOM 1119 O LEU A 86 2.093 -7.469 -14.215 1.00 0.00 O ATOM 1120 CB LEU A 86 4.191 -5.115 -14.620 1.00 0.00 C ATOM 1121 CG LEU A 86 5.457 -5.186 -15.507 1.00 0.00 C ATOM 1122 CD1 LEU A 86 6.024 -6.607 -15.453 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.111 -4.843 -16.963 1.00 0.00 C ATOM 0 H LEU A 86 2.410 -3.535 -15.570 1.00 0.00 H new ATOM 0 HA LEU A 86 3.254 -6.297 -16.191 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.036 -4.092 -14.277 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.326 -5.732 -13.732 1.00 0.00 H new ATOM 0 HG LEU A 86 6.190 -4.469 -15.137 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.917 -6.666 -16.076 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.282 -6.857 -14.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.278 -7.311 -15.821 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.012 -4.897 -17.574 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.374 -5.553 -17.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.700 -3.834 -17.011 1.00 0.00 H new ATOM 1135 N MET A 87 1.101 -5.505 -13.891 1.00 0.00 N ATOM 1136 CA MET A 87 0.119 -6.073 -12.924 1.00 0.00 C ATOM 1137 C MET A 87 -1.259 -6.246 -13.557 1.00 0.00 C ATOM 1138 O MET A 87 -2.146 -6.829 -12.967 1.00 0.00 O ATOM 1139 CB MET A 87 -0.017 -5.085 -11.754 1.00 0.00 C ATOM 1140 CG MET A 87 1.237 -5.154 -10.882 1.00 0.00 C ATOM 1141 SD MET A 87 2.795 -5.583 -11.695 1.00 0.00 S ATOM 1142 CE MET A 87 3.904 -4.820 -10.483 1.00 0.00 C ATOM 0 H MET A 87 1.004 -4.506 -14.071 1.00 0.00 H new ATOM 0 HA MET A 87 0.476 -7.050 -12.599 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.154 -4.072 -12.133 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.899 -5.326 -11.161 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.365 -4.185 -10.399 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.058 -5.883 -10.092 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.939 -4.968 -10.793 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.693 -3.752 -10.419 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.748 -5.280 -9.507 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.410 -5.742 -14.740 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.731 -5.860 -15.432 1.00 0.00 C ATOM 1154 C GLY A 88 -2.976 -7.251 -16.044 1.00 0.00 C ATOM 1155 O GLY A 88 -3.887 -7.954 -15.657 1.00 0.00 O ATOM 0 H GLY A 88 -0.684 -5.253 -15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.527 -5.638 -14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.789 -5.109 -16.220 1.00 0.00 H new ATOM 1159 N PRO A 89 -2.147 -7.610 -16.988 1.00 0.00 N ATOM 1160 CA PRO A 89 -2.256 -8.902 -17.669 1.00 0.00 C ATOM 1161 C PRO A 89 -2.119 -10.092 -16.719 1.00 0.00 C ATOM 1162 O PRO A 89 -3.105 -10.600 -16.220 1.00 0.00 O ATOM 1163 CB PRO A 89 -1.097 -8.908 -18.691 1.00 0.00 C ATOM 1164 CG PRO A 89 -0.289 -7.595 -18.480 1.00 0.00 C ATOM 1165 CD PRO A 89 -1.032 -6.766 -17.412 1.00 0.00 C ATOM 0 HA PRO A 89 -3.240 -9.010 -18.126 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.459 -9.780 -18.544 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.482 -8.963 -19.709 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.728 -7.817 -18.155 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.211 -7.038 -19.413 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.378 -6.525 -16.574 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.386 -5.820 -17.822 1.00 0.00 H new ATOM 1173 N LYS A 90 -0.895 -10.508 -16.489 1.00 0.00 N ATOM 1174 CA LYS A 90 -0.660 -11.666 -15.580 1.00 0.00 C ATOM 1175 C LYS A 90 0.156 -11.261 -14.364 1.00 0.00 C ATOM 1176 O LYS A 90 0.906 -10.306 -14.403 1.00 0.00 O ATOM 1177 CB LYS A 90 0.127 -12.727 -16.364 1.00 0.00 C ATOM 1178 CG LYS A 90 1.437 -12.111 -16.870 1.00 0.00 C ATOM 1179 CD LYS A 90 2.613 -12.727 -16.107 1.00 0.00 C ATOM 1180 CE LYS A 90 2.912 -14.118 -16.675 1.00 0.00 C ATOM 1181 NZ LYS A 90 4.264 -14.145 -17.306 1.00 0.00 N ATOM 0 H LYS A 90 -0.054 -10.094 -16.892 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.622 -12.046 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.337 -13.586 -15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.466 -13.091 -17.203 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.548 -12.291 -17.939 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.423 -11.030 -16.729 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.492 -12.089 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.375 -12.798 -15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.861 -14.861 -15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.155 -14.387 -17.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.451 -15.095 -17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.300 -13.450 -18.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.984 -13.909 -16.594 1.00 0.00 H new ATOM 1195 N LEU A 91 -0.002 -12.009 -13.304 1.00 0.00 N ATOM 1196 CA LEU A 91 0.751 -11.696 -12.067 1.00 0.00 C ATOM 1197 C LEU A 91 1.132 -12.974 -11.328 1.00 0.00 C ATOM 1198 O LEU A 91 0.522 -14.016 -11.474 1.00 0.00 O ATOM 1199 CB LEU A 91 -0.151 -10.849 -11.156 1.00 0.00 C ATOM 1200 CG LEU A 91 -0.043 -9.384 -11.574 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -1.045 -8.551 -10.771 1.00 0.00 C ATOM 1202 CD2 LEU A 91 1.377 -8.886 -11.290 1.00 0.00 C ATOM 0 H LEU A 91 -0.619 -12.819 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 91 1.663 -11.159 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.185 -11.187 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.149 -10.967 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.261 -9.287 -12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.969 -7.505 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.055 -8.911 -10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.825 -8.643 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.462 -7.840 -11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.589 -8.980 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.092 -9.483 -11.857 1.00 0.00 H new