USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 146:sc= 0.17 USER MOD Set 1.2: A 66 CYS SG : rot 126:sc= -7.89! USER MOD Set 1.3: A 92 CYS SG : rot 82:sc= -1.85! USER MOD Set 1.4: A 95 CYS SG : rot 10:sc= 1.25 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= -0.251 (180deg=-1.84!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.18 F(o=-2.6,f=-1.2) USER MOD Single : A 48 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-0.93) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0292 (180deg=-0.329) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc=-0.00754 (180deg=-0.313) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.927) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0876 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00802) USER MOD Single : A 67 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-7.2!) USER MOD Single : A 75 ASN : amide:sc= -5.7! C(o=-5.7!,f=-8.8!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-6.7!) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.857 (180deg=-1.44!) USER MOD Single : A 97 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.2) USER MOD Single : A 99 MET CE :methyl 156:sc= -0.107 (180deg=-1.01) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -19.704 -19.598 1.395 1.00 0.00 N ATOM 24 CA GLU A 16 -20.035 -19.422 -0.020 1.00 0.00 C ATOM 25 C GLU A 16 -21.040 -18.287 -0.229 1.00 0.00 C ATOM 26 O GLU A 16 -20.865 -17.456 -1.122 1.00 0.00 O ATOM 27 CB GLU A 16 -20.565 -20.740 -0.596 1.00 0.00 C ATOM 28 CG GLU A 16 -20.863 -20.581 -2.093 1.00 0.00 C ATOM 29 CD GLU A 16 -21.340 -21.896 -2.711 1.00 0.00 C ATOM 30 OE1 GLU A 16 -21.660 -22.817 -1.975 1.00 0.00 O ATOM 31 OE2 GLU A 16 -21.439 -21.938 -3.928 1.00 0.00 O ATOM 0 HA GLU A 16 -19.126 -19.143 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.832 -21.532 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.470 -21.039 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.624 -19.814 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.966 -20.239 -2.610 1.00 0.00 H new ATOM 38 N ARG A 17 -21.981 -18.140 0.703 1.00 0.00 N ATOM 39 CA ARG A 17 -23.075 -17.173 0.568 1.00 0.00 C ATOM 40 C ARG A 17 -22.588 -15.725 0.460 1.00 0.00 C ATOM 41 O ARG A 17 -23.150 -14.932 -0.311 1.00 0.00 O ATOM 42 CB ARG A 17 -23.953 -17.289 1.818 1.00 0.00 C ATOM 43 CG ARG A 17 -25.165 -16.356 1.709 1.00 0.00 C ATOM 44 CD ARG A 17 -26.022 -16.454 2.975 1.00 0.00 C ATOM 45 NE ARG A 17 -27.237 -15.652 2.833 1.00 0.00 N ATOM 46 CZ ARG A 17 -28.417 -16.178 2.548 1.00 0.00 C ATOM 47 NH1 ARG A 17 -28.548 -17.454 2.331 1.00 0.00 N ATOM 48 NH2 ARG A 17 -29.475 -15.444 2.720 1.00 0.00 N ATOM 0 H ARG A 17 -22.009 -18.682 1.567 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.614 -17.404 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.289 -18.319 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.370 -17.037 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.831 -15.328 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.761 -16.622 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -26.286 -17.495 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.450 -16.109 3.836 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.172 -14.642 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -27.733 -18.066 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -29.465 -17.843 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.382 -14.489 3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -30.398 -15.823 2.509 1.00 0.00 H new ATOM 62 N ILE A 18 -21.621 -15.340 1.288 1.00 0.00 N ATOM 63 CA ILE A 18 -21.137 -13.956 1.291 1.00 0.00 C ATOM 64 C ILE A 18 -20.444 -13.643 -0.025 1.00 0.00 C ATOM 65 O ILE A 18 -20.400 -12.484 -0.451 1.00 0.00 O ATOM 66 CB ILE A 18 -20.232 -13.692 2.510 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.981 -12.184 2.643 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.896 -14.438 2.379 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.346 -11.881 4.000 1.00 0.00 C ATOM 0 H ILE A 18 -21.160 -15.955 1.959 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.987 -13.280 1.383 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.737 -14.060 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.326 -11.843 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.920 -11.640 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.278 -14.233 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.083 -15.510 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.378 -14.101 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.170 -10.809 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.016 -12.206 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.398 -12.412 4.085 1.00 0.00 H new ATOM 81 N ASP A 19 -19.708 -14.637 -0.513 1.00 0.00 N ATOM 82 CA ASP A 19 -18.964 -14.475 -1.753 1.00 0.00 C ATOM 83 C ASP A 19 -19.921 -14.254 -2.939 1.00 0.00 C ATOM 84 O ASP A 19 -19.625 -13.450 -3.830 1.00 0.00 O ATOM 85 CB ASP A 19 -18.092 -15.711 -2.040 1.00 0.00 C ATOM 86 CG ASP A 19 -16.786 -15.616 -1.254 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.285 -14.511 -1.089 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.143 -16.650 -1.057 1.00 0.00 O ATOM 0 H ASP A 19 -19.612 -15.552 -0.073 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.322 -13.602 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.629 -16.618 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.881 -15.779 -3.107 1.00 0.00 H new ATOM 93 N ILE A 20 -21.062 -14.932 -2.925 1.00 0.00 N ATOM 94 CA ILE A 20 -22.124 -14.623 -3.867 1.00 0.00 C ATOM 95 C ILE A 20 -22.656 -13.190 -3.692 1.00 0.00 C ATOM 96 O ILE A 20 -22.738 -12.448 -4.666 1.00 0.00 O ATOM 97 CB ILE A 20 -23.308 -15.599 -3.698 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.847 -17.061 -3.777 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.377 -15.341 -4.772 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.196 -17.363 -5.130 1.00 0.00 C ATOM 0 H ILE A 20 -21.272 -15.692 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.688 -14.722 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.735 -15.424 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.137 -17.265 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.700 -17.723 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.204 -16.038 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.745 -14.319 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.941 -15.482 -5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.879 -18.406 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.915 -17.182 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.329 -16.717 -5.269 1.00 0.00 H new ATOM 112 N LEU A 21 -22.873 -12.793 -2.450 1.00 0.00 N ATOM 113 CA LEU A 21 -23.353 -11.448 -2.148 1.00 0.00 C ATOM 114 C LEU A 21 -22.335 -10.405 -2.599 1.00 0.00 C ATOM 115 O LEU A 21 -22.698 -9.299 -3.003 1.00 0.00 O ATOM 116 CB LEU A 21 -23.673 -11.283 -0.660 1.00 0.00 C ATOM 117 CG LEU A 21 -25.037 -11.910 -0.342 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.249 -11.985 1.172 1.00 0.00 C ATOM 119 CD2 LEU A 21 -26.152 -11.080 -0.990 1.00 0.00 C ATOM 0 H LEU A 21 -22.725 -13.382 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.280 -11.295 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.897 -11.756 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.680 -10.225 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.063 -12.922 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.221 -12.432 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.465 -12.596 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -25.213 -10.981 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -27.119 -11.529 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -26.122 -10.063 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -26.008 -11.058 -2.070 1.00 0.00 H new ATOM 131 N PHE A 22 -21.058 -10.707 -2.377 1.00 0.00 N ATOM 132 CA PHE A 22 -19.973 -9.816 -2.784 1.00 0.00 C ATOM 133 C PHE A 22 -20.009 -9.555 -4.291 1.00 0.00 C ATOM 134 O PHE A 22 -19.791 -8.424 -4.731 1.00 0.00 O ATOM 135 CB PHE A 22 -18.634 -10.465 -2.423 1.00 0.00 C ATOM 136 CG PHE A 22 -17.478 -9.598 -2.877 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.873 -8.713 -1.970 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.789 -9.952 -4.048 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.687 -8.052 -2.320 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.657 -9.226 -4.433 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.189 -8.185 -3.619 1.00 0.00 C ATOM 0 H PHE A 22 -20.748 -11.563 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.093 -8.865 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.578 -10.619 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.563 -11.448 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.321 -8.541 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.132 -10.781 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.164 -7.447 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.146 -9.466 -5.353 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.450 -7.492 -3.993 1.00 0.00 H new ATOM 151 N SER A 23 -20.195 -10.614 -5.076 1.00 0.00 N ATOM 152 CA SER A 23 -20.282 -10.494 -6.531 1.00 0.00 C ATOM 153 C SER A 23 -21.477 -9.626 -6.927 1.00 0.00 C ATOM 154 O SER A 23 -21.429 -8.938 -7.954 1.00 0.00 O ATOM 155 CB SER A 23 -20.411 -11.881 -7.165 1.00 0.00 C ATOM 156 OG SER A 23 -20.827 -11.778 -8.522 1.00 0.00 O ATOM 0 H SER A 23 -20.289 -11.568 -4.728 1.00 0.00 H new ATOM 0 HA SER A 23 -19.371 -10.019 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.455 -12.401 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.130 -12.477 -6.603 1.00 0.00 H new ATOM 0 HG SER A 23 -20.902 -12.675 -8.910 1.00 0.00 H new ATOM 162 N LEU A 24 -22.607 -9.873 -6.263 1.00 0.00 N ATOM 163 CA LEU A 24 -23.833 -9.116 -6.515 1.00 0.00 C ATOM 164 C LEU A 24 -23.640 -7.647 -6.164 1.00 0.00 C ATOM 165 O LEU A 24 -23.988 -6.762 -6.940 1.00 0.00 O ATOM 166 CB LEU A 24 -24.985 -9.678 -5.686 1.00 0.00 C ATOM 167 CG LEU A 24 -25.371 -11.066 -6.210 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.338 -11.725 -5.222 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.025 -10.951 -7.591 1.00 0.00 C ATOM 0 H LEU A 24 -22.698 -10.592 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.069 -9.205 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.693 -9.743 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.843 -9.008 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.474 -11.678 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.616 -12.713 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.855 -11.822 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.232 -11.110 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.294 -11.944 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.922 -10.336 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.325 -10.490 -8.288 1.00 0.00 H new ATOM 181 N ALA A 25 -22.965 -7.409 -5.043 1.00 0.00 N ATOM 182 CA ALA A 25 -22.677 -6.052 -4.594 1.00 0.00 C ATOM 183 C ALA A 25 -21.790 -5.346 -5.614 1.00 0.00 C ATOM 184 O ALA A 25 -21.850 -4.127 -5.761 1.00 0.00 O ATOM 185 CB ALA A 25 -21.983 -6.076 -3.229 1.00 0.00 C ATOM 0 H ALA A 25 -22.607 -8.140 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.617 -5.509 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.775 -5.055 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.632 -6.560 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.047 -6.630 -3.306 1.00 0.00 H new ATOM 191 N GLU A 26 -20.863 -6.097 -6.201 1.00 0.00 N ATOM 192 CA GLU A 26 -19.940 -5.528 -7.179 1.00 0.00 C ATOM 193 C GLU A 26 -20.655 -5.059 -8.449 1.00 0.00 C ATOM 194 O GLU A 26 -20.145 -4.164 -9.131 1.00 0.00 O ATOM 195 CB GLU A 26 -18.873 -6.575 -7.531 1.00 0.00 C ATOM 196 CG GLU A 26 -17.848 -6.010 -8.524 1.00 0.00 C ATOM 197 CD GLU A 26 -16.787 -7.069 -8.817 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.160 -8.135 -9.274 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.616 -6.730 -8.755 1.00 0.00 O ATOM 0 H GLU A 26 -20.731 -7.092 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.475 -4.649 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.364 -6.899 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.351 -7.456 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.345 -5.713 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.381 -5.116 -8.112 1.00 0.00 H new ATOM 206 N ARG A 27 -21.608 -5.851 -8.945 1.00 0.00 N ATOM 207 CA ARG A 27 -22.366 -5.452 -10.134 1.00 0.00 C ATOM 208 C ARG A 27 -23.227 -4.208 -9.911 1.00 0.00 C ATOM 209 O ARG A 27 -23.274 -3.317 -10.760 1.00 0.00 O ATOM 210 CB ARG A 27 -23.276 -6.597 -10.595 1.00 0.00 C ATOM 211 CG ARG A 27 -24.009 -6.197 -11.884 1.00 0.00 C ATOM 212 CD ARG A 27 -24.977 -7.306 -12.304 1.00 0.00 C ATOM 213 NE ARG A 27 -24.220 -8.498 -12.648 1.00 0.00 N ATOM 214 CZ ARG A 27 -23.663 -8.649 -13.839 1.00 0.00 C ATOM 215 NH1 ARG A 27 -23.590 -7.647 -14.670 1.00 0.00 N ATOM 216 NH2 ARG A 27 -23.079 -9.778 -14.112 1.00 0.00 N ATOM 0 H ARG A 27 -21.870 -6.755 -8.552 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.624 -5.214 -10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.684 -7.496 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.999 -6.835 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.555 -5.267 -11.727 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.287 -6.013 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.672 -7.524 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.573 -6.981 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.115 -9.238 -11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.964 -6.736 -14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -23.159 -7.774 -15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -23.058 -10.523 -13.415 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -22.642 -9.919 -15.023 1.00 0.00 H new ATOM 230 N VAL A 28 -23.924 -4.179 -8.777 1.00 0.00 N ATOM 231 CA VAL A 28 -24.762 -3.036 -8.416 1.00 0.00 C ATOM 232 C VAL A 28 -23.899 -1.804 -8.155 1.00 0.00 C ATOM 233 O VAL A 28 -24.265 -0.674 -8.482 1.00 0.00 O ATOM 234 CB VAL A 28 -25.638 -3.411 -7.217 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.780 -3.767 -6.001 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.597 -2.274 -6.856 1.00 0.00 C ATOM 0 H VAL A 28 -23.925 -4.934 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.424 -2.779 -9.243 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.224 -4.285 -7.504 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.427 -4.029 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.139 -4.614 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.163 -2.911 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.206 -2.569 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.024 -1.382 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.245 -2.060 -7.706 1.00 0.00 H new ATOM 246 N PHE A 29 -22.744 -2.063 -7.550 1.00 0.00 N ATOM 247 CA PHE A 29 -21.845 -1.025 -7.061 1.00 0.00 C ATOM 248 C PHE A 29 -21.602 0.091 -8.085 1.00 0.00 C ATOM 249 O PHE A 29 -21.817 1.257 -7.754 1.00 0.00 O ATOM 250 CB PHE A 29 -20.558 -1.745 -6.629 1.00 0.00 C ATOM 251 CG PHE A 29 -19.348 -0.847 -6.584 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.416 0.325 -5.827 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.091 -1.429 -6.842 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.253 1.054 -5.604 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.929 -0.763 -6.447 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.024 0.406 -5.698 1.00 0.00 C ATOM 0 H PHE A 29 -22.403 -3.010 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.288 -0.496 -6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.711 -2.184 -5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.364 -2.568 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.359 0.660 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.027 -2.384 -7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.302 2.105 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.960 -1.154 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.155 0.806 -5.196 1.00 0.00 H new ATOM 266 N PRO A 30 -21.067 -0.198 -9.292 1.00 0.00 N ATOM 267 CA PRO A 30 -21.019 0.814 -10.393 1.00 0.00 C ATOM 268 C PRO A 30 -22.389 1.278 -10.889 1.00 0.00 C ATOM 269 O PRO A 30 -22.504 2.358 -11.472 1.00 0.00 O ATOM 270 CB PRO A 30 -20.267 0.087 -11.517 1.00 0.00 C ATOM 271 CG PRO A 30 -20.495 -1.367 -11.270 1.00 0.00 C ATOM 272 CD PRO A 30 -20.659 -1.532 -9.759 1.00 0.00 C ATOM 0 HA PRO A 30 -20.544 1.731 -10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.643 0.383 -12.496 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.204 0.327 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.384 -1.715 -11.797 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.656 -1.959 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.410 -2.285 -9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.728 -1.851 -9.290 1.00 0.00 H new ATOM 280 N TYR A 31 -23.371 0.376 -10.853 1.00 0.00 N ATOM 281 CA TYR A 31 -24.681 0.659 -11.432 1.00 0.00 C ATOM 282 C TYR A 31 -25.348 1.831 -10.726 1.00 0.00 C ATOM 283 O TYR A 31 -26.023 2.650 -11.344 1.00 0.00 O ATOM 284 CB TYR A 31 -25.564 -0.594 -11.359 1.00 0.00 C ATOM 285 CG TYR A 31 -26.950 -0.283 -11.874 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.143 0.075 -13.206 1.00 0.00 C ATOM 287 CD2 TYR A 31 -27.994 -0.107 -10.948 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.436 0.332 -13.670 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.288 0.129 -11.409 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.509 0.356 -12.773 1.00 0.00 C ATOM 291 OH TYR A 31 -30.769 0.706 -13.211 1.00 0.00 O ATOM 0 H TYR A 31 -23.284 -0.549 -10.432 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.547 0.936 -12.478 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.120 -1.396 -11.949 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.621 -0.949 -10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.299 0.153 -13.876 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.794 -0.154 -9.888 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.607 0.512 -14.721 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.117 0.137 -10.717 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.398 0.670 -12.460 1.00 0.00 H new ATOM 301 N SER A 32 -25.309 1.780 -9.403 1.00 0.00 N ATOM 302 CA SER A 32 -25.965 2.772 -8.559 1.00 0.00 C ATOM 303 C SER A 32 -25.421 2.645 -7.139 1.00 0.00 C ATOM 304 O SER A 32 -25.633 1.632 -6.475 1.00 0.00 O ATOM 305 CB SER A 32 -27.484 2.572 -8.535 1.00 0.00 C ATOM 306 OG SER A 32 -28.127 3.840 -8.532 1.00 0.00 O ATOM 0 H SER A 32 -24.822 1.050 -8.883 1.00 0.00 H new ATOM 0 HA SER A 32 -25.760 3.762 -8.966 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.800 1.994 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.773 2.003 -7.651 1.00 0.00 H new ATOM 0 HG SER A 32 -29.099 3.714 -8.518 1.00 0.00 H new ATOM 312 N PRO A 33 -24.670 3.647 -6.669 1.00 0.00 N ATOM 313 CA PRO A 33 -23.990 3.571 -5.345 1.00 0.00 C ATOM 314 C PRO A 33 -25.005 3.304 -4.246 1.00 0.00 C ATOM 315 O PRO A 33 -24.844 2.379 -3.459 1.00 0.00 O ATOM 316 CB PRO A 33 -23.360 4.958 -5.205 1.00 0.00 C ATOM 317 CG PRO A 33 -23.165 5.467 -6.593 1.00 0.00 C ATOM 318 CD PRO A 33 -24.263 4.839 -7.445 1.00 0.00 C ATOM 0 HA PRO A 33 -23.258 2.767 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.007 5.624 -4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.410 4.902 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.228 6.555 -6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.179 5.196 -6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.097 5.525 -7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.896 4.567 -8.434 1.00 0.00 H new ATOM 326 N GLU A 34 -26.182 3.911 -4.408 1.00 0.00 N ATOM 327 CA GLU A 34 -27.243 3.815 -3.404 1.00 0.00 C ATOM 328 C GLU A 34 -27.796 2.395 -3.276 1.00 0.00 C ATOM 329 O GLU A 34 -28.050 1.915 -2.164 1.00 0.00 O ATOM 330 CB GLU A 34 -28.390 4.756 -3.802 1.00 0.00 C ATOM 331 CG GLU A 34 -29.516 4.743 -2.757 1.00 0.00 C ATOM 332 CD GLU A 34 -30.638 5.718 -3.127 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.434 6.566 -3.983 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.720 5.563 -2.580 1.00 0.00 O ATOM 0 H GLU A 34 -26.424 4.473 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.814 4.095 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.008 5.771 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.788 4.457 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -29.922 3.735 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -29.110 5.007 -1.780 1.00 0.00 H new ATOM 341 N LEU A 35 -28.020 1.731 -4.415 1.00 0.00 N ATOM 342 CA LEU A 35 -28.477 0.342 -4.401 1.00 0.00 C ATOM 343 C LEU A 35 -27.441 -0.575 -3.764 1.00 0.00 C ATOM 344 O LEU A 35 -27.743 -1.317 -2.827 1.00 0.00 O ATOM 345 CB LEU A 35 -28.776 -0.162 -5.819 1.00 0.00 C ATOM 346 CG LEU A 35 -30.125 0.372 -6.314 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.277 0.060 -7.807 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.269 -0.289 -5.539 1.00 0.00 C ATOM 0 H LEU A 35 -27.894 2.129 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.392 0.320 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.984 0.155 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.786 -1.252 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 35 -30.162 1.450 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.236 0.439 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.470 0.538 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.234 -1.018 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.223 0.097 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.235 -1.368 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.165 -0.067 -4.477 1.00 0.00 H new ATOM 360 N ALA A 36 -26.185 -0.321 -4.122 1.00 0.00 N ATOM 361 CA ALA A 36 -25.067 -1.133 -3.648 1.00 0.00 C ATOM 362 C ALA A 36 -24.937 -1.003 -2.137 1.00 0.00 C ATOM 363 O ALA A 36 -24.564 -1.955 -1.446 1.00 0.00 O ATOM 364 CB ALA A 36 -23.769 -0.673 -4.315 1.00 0.00 C ATOM 0 H ALA A 36 -25.915 0.443 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.253 -2.176 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.940 -1.283 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.858 -0.780 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.584 0.372 -4.068 1.00 0.00 H new ATOM 370 N LYS A 37 -25.205 0.209 -1.659 1.00 0.00 N ATOM 371 CA LYS A 37 -25.080 0.515 -0.238 1.00 0.00 C ATOM 372 C LYS A 37 -26.029 -0.401 0.530 1.00 0.00 C ATOM 373 O LYS A 37 -25.584 -1.182 1.375 1.00 0.00 O ATOM 374 CB LYS A 37 -25.428 2.000 -0.032 1.00 0.00 C ATOM 375 CG LYS A 37 -25.220 2.489 1.409 1.00 0.00 C ATOM 376 CD LYS A 37 -26.307 1.983 2.370 1.00 0.00 C ATOM 377 CE LYS A 37 -26.032 2.539 3.774 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.108 2.096 4.712 1.00 0.00 N ATOM 0 H LYS A 37 -25.510 0.994 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.067 0.347 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.817 2.604 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.468 2.163 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.244 2.157 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.209 3.579 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.291 2.300 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.313 0.893 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.062 2.192 4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.990 3.628 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.689 1.862 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.802 2.861 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.582 1.256 4.324 1.00 0.00 H new ATOM 392 N ARG A 38 -27.240 -0.539 0.001 1.00 0.00 N ATOM 393 CA ARG A 38 -28.231 -1.410 0.627 1.00 0.00 C ATOM 394 C ARG A 38 -27.794 -2.879 0.599 1.00 0.00 C ATOM 395 O ARG A 38 -27.835 -3.559 1.622 1.00 0.00 O ATOM 396 CB ARG A 38 -29.565 -1.273 -0.115 1.00 0.00 C ATOM 397 CG ARG A 38 -30.163 0.130 0.075 1.00 0.00 C ATOM 398 CD ARG A 38 -30.598 0.388 1.517 1.00 0.00 C ATOM 399 NE ARG A 38 -31.797 -0.390 1.829 1.00 0.00 N ATOM 400 CZ ARG A 38 -32.380 -0.290 3.013 1.00 0.00 C ATOM 401 NH1 ARG A 38 -31.842 0.428 3.952 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.513 -0.902 3.203 1.00 0.00 N ATOM 0 H ARG A 38 -27.557 -0.068 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.335 -1.105 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.415 -1.467 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.266 -2.023 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -29.427 0.878 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -31.021 0.249 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -29.793 0.120 2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -30.797 1.450 1.660 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.188 -1.017 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -30.965 0.919 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -32.297 0.501 4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.933 -1.444 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -33.981 -0.839 4.107 1.00 0.00 H new ATOM 416 N TYR A 39 -27.237 -3.324 -0.528 1.00 0.00 N ATOM 417 CA TYR A 39 -26.739 -4.693 -0.659 1.00 0.00 C ATOM 418 C TYR A 39 -25.591 -4.994 0.306 1.00 0.00 C ATOM 419 O TYR A 39 -25.386 -6.157 0.657 1.00 0.00 O ATOM 420 CB TYR A 39 -26.328 -5.013 -2.102 1.00 0.00 C ATOM 421 CG TYR A 39 -27.557 -5.168 -2.973 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.303 -6.351 -2.882 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.976 -4.142 -3.831 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.513 -6.470 -3.573 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.143 -4.310 -4.599 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.873 -5.502 -4.517 1.00 0.00 C ATOM 427 OH TYR A 39 -31.067 -5.624 -5.200 1.00 0.00 O ATOM 0 H TYR A 39 -27.119 -2.754 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.571 -5.344 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.694 -4.217 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.739 -5.930 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.943 -7.171 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.406 -3.227 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.168 -7.307 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.476 -3.518 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.169 -4.870 -5.818 1.00 0.00 H new ATOM 437 N VAL A 40 -24.657 -4.054 0.422 1.00 0.00 N ATOM 438 CA VAL A 40 -23.477 -4.292 1.256 1.00 0.00 C ATOM 439 C VAL A 40 -23.863 -4.454 2.730 1.00 0.00 C ATOM 440 O VAL A 40 -23.410 -5.382 3.402 1.00 0.00 O ATOM 441 CB VAL A 40 -22.430 -3.185 1.094 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.312 -3.418 2.117 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.844 -3.196 -0.321 1.00 0.00 C ATOM 0 H VAL A 40 -24.688 -3.143 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.029 -5.225 0.913 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.901 -2.216 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.557 -2.638 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.729 -3.391 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.854 -4.391 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.103 -2.402 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.370 -4.159 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.641 -3.035 -1.046 1.00 0.00 H new ATOM 453 N GLU A 41 -24.749 -3.587 3.213 1.00 0.00 N ATOM 454 CA GLU A 41 -25.115 -3.555 4.628 1.00 0.00 C ATOM 455 C GLU A 41 -25.795 -4.863 5.007 1.00 0.00 C ATOM 456 O GLU A 41 -25.358 -5.555 5.923 1.00 0.00 O ATOM 457 CB GLU A 41 -26.068 -2.393 4.915 1.00 0.00 C ATOM 458 CG GLU A 41 -25.354 -1.052 4.706 1.00 0.00 C ATOM 459 CD GLU A 41 -24.207 -0.849 5.696 1.00 0.00 C ATOM 460 OE1 GLU A 41 -24.229 -1.491 6.736 1.00 0.00 O ATOM 461 OE2 GLU A 41 -23.661 0.242 5.644 1.00 0.00 O ATOM 0 H GLU A 41 -25.230 -2.892 2.642 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.208 -3.420 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.936 -2.456 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.436 -2.461 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.966 -1.003 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.072 -0.239 4.813 1.00 0.00 H new ATOM 468 N LEU A 42 -26.495 -5.372 4.001 1.00 0.00 N ATOM 469 CA LEU A 42 -27.012 -6.739 3.988 1.00 0.00 C ATOM 470 C LEU A 42 -25.921 -7.797 4.058 1.00 0.00 C ATOM 471 O LEU A 42 -26.043 -8.741 4.838 1.00 0.00 O ATOM 472 CB LEU A 42 -27.816 -6.922 2.689 1.00 0.00 C ATOM 473 CG LEU A 42 -28.191 -8.389 2.415 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.084 -8.988 3.506 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.902 -8.447 1.059 1.00 0.00 C ATOM 0 H LEU A 42 -26.724 -4.842 3.160 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.629 -6.875 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.726 -6.325 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.234 -6.539 1.851 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.278 -8.985 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.316 -10.024 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.564 -8.951 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.009 -8.416 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.180 -9.477 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.799 -7.828 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.234 -8.077 0.282 1.00 0.00 H new ATOM 487 N ALA A 43 -24.838 -7.626 3.304 1.00 0.00 N ATOM 488 CA ALA A 43 -23.761 -8.608 3.354 1.00 0.00 C ATOM 489 C ALA A 43 -23.107 -8.648 4.733 1.00 0.00 C ATOM 490 O ALA A 43 -22.746 -9.720 5.208 1.00 0.00 O ATOM 491 CB ALA A 43 -22.713 -8.309 2.274 1.00 0.00 C ATOM 0 H ALA A 43 -24.685 -6.842 2.670 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.195 -9.589 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.916 -9.051 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.182 -8.347 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.295 -7.316 2.438 1.00 0.00 H new ATOM 497 N LEU A 44 -22.913 -7.479 5.342 1.00 0.00 N ATOM 498 CA LEU A 44 -22.331 -7.384 6.680 1.00 0.00 C ATOM 499 C LEU A 44 -23.190 -8.051 7.755 1.00 0.00 C ATOM 500 O LEU A 44 -22.667 -8.769 8.612 1.00 0.00 O ATOM 501 CB LEU A 44 -22.053 -5.921 7.062 1.00 0.00 C ATOM 502 CG LEU A 44 -20.711 -5.461 6.474 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.747 -5.465 4.945 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.357 -4.058 6.974 1.00 0.00 C ATOM 0 H LEU A 44 -23.152 -6.579 4.926 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.388 -7.929 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.857 -5.283 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.036 -5.818 8.147 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.948 -6.165 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.783 -5.135 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.955 -6.474 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.528 -4.789 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.403 -3.749 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.134 -3.357 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.281 -4.068 8.061 1.00 0.00 H new ATOM 516 N LEU A 45 -24.505 -7.851 7.682 1.00 0.00 N ATOM 517 CA LEU A 45 -25.431 -8.556 8.572 1.00 0.00 C ATOM 518 C LEU A 45 -25.375 -10.064 8.350 1.00 0.00 C ATOM 519 O LEU A 45 -25.668 -10.828 9.261 1.00 0.00 O ATOM 520 CB LEU A 45 -26.875 -8.061 8.423 1.00 0.00 C ATOM 521 CG LEU A 45 -27.122 -6.800 9.263 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.335 -5.603 8.727 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.616 -6.473 9.280 1.00 0.00 C ATOM 0 H LEU A 45 -24.952 -7.213 7.023 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.105 -8.335 9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.082 -7.848 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.565 -8.847 8.731 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.777 -7.000 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.535 -4.729 9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.269 -5.828 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.640 -5.397 7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.786 -5.577 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.962 -6.300 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.166 -7.308 9.714 1.00 0.00 H new ATOM 535 N VAL A 46 -25.291 -10.469 7.089 1.00 0.00 N ATOM 536 CA VAL A 46 -25.100 -11.876 6.741 1.00 0.00 C ATOM 537 C VAL A 46 -23.766 -12.380 7.294 1.00 0.00 C ATOM 538 O VAL A 46 -23.663 -13.532 7.724 1.00 0.00 O ATOM 539 CB VAL A 46 -25.184 -12.049 5.216 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.752 -13.460 4.793 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.626 -11.796 4.763 1.00 0.00 C ATOM 0 H VAL A 46 -25.352 -9.843 6.286 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.891 -12.475 7.193 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.509 -11.333 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.822 -13.552 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.723 -13.635 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.404 -14.196 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.694 -11.917 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.291 -12.509 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.920 -10.782 5.034 1.00 0.00 H new ATOM 551 N GLN A 47 -22.725 -11.570 7.129 1.00 0.00 N ATOM 552 CA GLN A 47 -21.354 -11.982 7.422 1.00 0.00 C ATOM 553 C GLN A 47 -21.158 -12.322 8.900 1.00 0.00 C ATOM 554 O GLN A 47 -20.364 -13.206 9.229 1.00 0.00 O ATOM 555 CB GLN A 47 -20.447 -10.803 7.055 1.00 0.00 C ATOM 556 CG GLN A 47 -18.970 -11.152 7.261 1.00 0.00 C ATOM 557 CD GLN A 47 -18.109 -9.930 6.959 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.942 -10.095 6.405 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -18.436 -8.818 7.373 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.806 -10.612 6.789 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.118 -12.880 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.615 -10.522 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.707 -9.938 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.803 -11.482 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.687 -11.979 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.349 -8.684 7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.794 -8.031 7.281 1.00 0.00 H new ATOM 568 N GLN A 48 -21.732 -11.497 9.780 1.00 0.00 N ATOM 569 CA GLN A 48 -21.680 -11.753 11.219 1.00 0.00 C ATOM 570 C GLN A 48 -22.455 -13.016 11.597 1.00 0.00 C ATOM 571 O GLN A 48 -22.177 -13.607 12.631 1.00 0.00 O ATOM 572 CB GLN A 48 -22.208 -10.534 11.989 1.00 0.00 C ATOM 573 CG GLN A 48 -23.699 -10.298 11.707 1.00 0.00 C ATOM 574 CD GLN A 48 -24.173 -9.031 12.420 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.417 -8.060 12.529 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.384 -8.965 12.902 1.00 0.00 N ATOM 0 H GLN A 48 -22.236 -10.649 9.521 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.639 -11.921 11.495 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.057 -10.683 13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.638 -9.649 11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.864 -10.204 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.281 -11.155 12.045 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.012 -9.764 12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.703 -8.114 13.366 1.00 0.00 H new ATOM 585 N LYS A 49 -23.614 -13.194 10.966 1.00 0.00 N ATOM 586 CA LYS A 49 -24.470 -14.352 11.215 1.00 0.00 C ATOM 587 C LYS A 49 -23.779 -15.651 10.807 1.00 0.00 C ATOM 588 O LYS A 49 -23.732 -16.602 11.593 1.00 0.00 O ATOM 589 CB LYS A 49 -25.774 -14.161 10.432 1.00 0.00 C ATOM 590 CG LYS A 49 -26.538 -12.987 11.050 1.00 0.00 C ATOM 591 CD LYS A 49 -27.829 -12.730 10.262 1.00 0.00 C ATOM 592 CE LYS A 49 -28.521 -11.492 10.842 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.991 -11.783 12.229 1.00 0.00 N ATOM 0 H LYS A 49 -23.984 -12.544 10.272 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.681 -14.426 12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.561 -13.964 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.376 -15.069 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.775 -13.204 12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.914 -12.093 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.603 -12.577 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.489 -13.596 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.831 -10.648 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.365 -11.207 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.695 -11.073 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.422 -12.729 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.183 -11.750 12.883 1.00 0.00 H new ATOM 607 N ALA A 50 -23.105 -15.617 9.661 1.00 0.00 N ATOM 608 CA ALA A 50 -22.240 -16.712 9.221 1.00 0.00 C ATOM 609 C ALA A 50 -20.912 -16.745 9.983 1.00 0.00 C ATOM 610 O ALA A 50 -20.175 -17.729 9.893 1.00 0.00 O ATOM 611 CB ALA A 50 -21.947 -16.580 7.723 1.00 0.00 C ATOM 0 H ALA A 50 -23.142 -14.832 9.011 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.773 -17.640 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.302 -17.399 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.882 -16.616 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.447 -15.630 7.532 1.00 0.00 H new ATOM 617 N LYS A 51 -20.603 -15.686 10.735 1.00 0.00 N ATOM 618 CA LYS A 51 -19.361 -15.619 11.515 1.00 0.00 C ATOM 619 C LYS A 51 -18.125 -15.969 10.681 1.00 0.00 C ATOM 620 O LYS A 51 -17.254 -16.721 11.133 1.00 0.00 O ATOM 621 CB LYS A 51 -19.439 -16.550 12.729 1.00 0.00 C ATOM 622 CG LYS A 51 -20.539 -16.122 13.703 1.00 0.00 C ATOM 623 CD LYS A 51 -20.195 -14.754 14.312 1.00 0.00 C ATOM 624 CE LYS A 51 -21.279 -14.329 15.303 1.00 0.00 C ATOM 625 NZ LYS A 51 -20.914 -12.999 15.874 1.00 0.00 N ATOM 0 H LYS A 51 -21.196 -14.861 10.822 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.256 -14.586 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.627 -17.570 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.479 -16.556 13.245 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.496 -16.068 13.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.646 -16.865 14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.230 -14.805 14.817 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.102 -14.009 13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.246 -14.273 14.803 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.374 -15.068 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.645 -12.699 16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.999 -13.070 16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.844 -12.300 15.108 1.00 0.00 H new ATOM 639 N VAL A 52 -17.921 -15.214 9.606 1.00 0.00 N ATOM 640 CA VAL A 52 -16.747 -15.389 8.760 1.00 0.00 C ATOM 641 C VAL A 52 -15.898 -14.123 8.773 1.00 0.00 C ATOM 642 O VAL A 52 -16.419 -13.010 8.669 1.00 0.00 O ATOM 643 CB VAL A 52 -17.178 -15.733 7.327 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.746 -17.154 7.291 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.242 -14.742 6.835 1.00 0.00 C ATOM 0 H VAL A 52 -18.554 -14.475 9.301 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.148 -16.212 9.150 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.308 -15.668 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.052 -17.398 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.983 -17.859 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.609 -17.218 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.537 -15.000 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.113 -14.790 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.833 -13.732 6.849 1.00 0.00 H new ATOM 655 N LYS A 53 -14.599 -14.311 9.018 1.00 0.00 N ATOM 656 CA LYS A 53 -13.652 -13.200 9.074 1.00 0.00 C ATOM 657 C LYS A 53 -12.866 -13.118 7.771 1.00 0.00 C ATOM 658 O LYS A 53 -12.082 -14.017 7.466 1.00 0.00 O ATOM 659 CB LYS A 53 -12.688 -13.380 10.253 1.00 0.00 C ATOM 660 CG LYS A 53 -11.756 -12.166 10.351 1.00 0.00 C ATOM 661 CD LYS A 53 -10.833 -12.290 11.569 1.00 0.00 C ATOM 662 CE LYS A 53 -9.934 -11.053 11.665 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.996 -11.026 10.510 1.00 0.00 N ATOM 0 H LYS A 53 -14.180 -15.227 9.181 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.210 -12.274 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.250 -13.495 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.103 -14.290 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.159 -12.085 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.346 -11.253 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.426 -12.392 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.223 -13.189 11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.542 -10.149 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.375 -11.069 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.213 -10.373 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.617 -11.981 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.502 -10.705 9.660 1.00 0.00 H new ATOM 677 N ILE A 54 -12.865 -11.920 7.201 1.00 0.00 N ATOM 678 CA ILE A 54 -12.055 -11.619 6.028 1.00 0.00 C ATOM 679 C ILE A 54 -11.416 -10.242 6.214 1.00 0.00 C ATOM 680 O ILE A 54 -12.035 -9.226 5.901 1.00 0.00 O ATOM 681 CB ILE A 54 -12.963 -11.641 4.785 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.380 -11.166 5.164 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.006 -13.070 4.229 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.366 -11.356 4.006 1.00 0.00 C ATOM 0 H ILE A 54 -13.422 -11.134 7.536 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.264 -12.357 5.898 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.569 -10.969 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.730 -11.720 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.348 -10.114 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.647 -13.098 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.999 -13.385 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.403 -13.744 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.354 -11.010 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.029 -10.781 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.416 -12.412 3.741 1.00 0.00 H new ATOM 696 N PRO A 55 -10.105 -10.197 6.540 1.00 0.00 N ATOM 697 CA PRO A 55 -9.378 -8.906 6.692 1.00 0.00 C ATOM 698 C PRO A 55 -9.233 -8.148 5.376 1.00 0.00 C ATOM 699 O PRO A 55 -8.672 -7.054 5.381 1.00 0.00 O ATOM 700 CB PRO A 55 -8.021 -9.313 7.271 1.00 0.00 C ATOM 701 CG PRO A 55 -7.808 -10.742 6.893 1.00 0.00 C ATOM 702 CD PRO A 55 -9.166 -11.332 6.496 1.00 0.00 C ATOM 0 HA PRO A 55 -9.918 -8.210 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.225 -8.684 6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.010 -9.193 8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.103 -10.817 6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.380 -11.298 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.128 -11.774 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.469 -12.121 7.184 1.00 0.00 H new ATOM 710 N ARG A 56 -9.341 -8.870 4.255 1.00 0.00 N ATOM 711 CA ARG A 56 -9.070 -8.255 2.956 1.00 0.00 C ATOM 712 C ARG A 56 -10.348 -8.057 2.126 1.00 0.00 C ATOM 713 O ARG A 56 -10.539 -6.987 1.542 1.00 0.00 O ATOM 714 CB ARG A 56 -7.993 -9.057 2.210 1.00 0.00 C ATOM 715 CG ARG A 56 -7.627 -8.376 0.885 1.00 0.00 C ATOM 716 CD ARG A 56 -6.533 -9.181 0.179 1.00 0.00 C ATOM 717 NE ARG A 56 -6.044 -8.457 -0.988 1.00 0.00 N ATOM 718 CZ ARG A 56 -5.284 -9.055 -1.897 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.804 -10.245 -1.662 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.924 -8.395 -2.962 1.00 0.00 N ATOM 0 H ARG A 56 -9.607 -9.854 4.221 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.680 -7.251 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.104 -9.149 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.354 -10.067 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.508 -8.302 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.282 -7.359 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.710 -9.371 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.925 -10.152 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.290 -7.474 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.013 -10.714 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.220 -10.706 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.226 -7.429 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.340 -8.844 -3.667 1.00 0.00 H new ATOM 734 N LYS A 57 -11.186 -9.085 1.981 1.00 0.00 N ATOM 735 CA LYS A 57 -12.236 -9.009 0.960 1.00 0.00 C ATOM 736 C LYS A 57 -13.254 -7.901 1.206 1.00 0.00 C ATOM 737 O LYS A 57 -13.757 -7.317 0.247 1.00 0.00 O ATOM 738 CB LYS A 57 -13.068 -10.291 0.839 1.00 0.00 C ATOM 739 CG LYS A 57 -12.309 -11.473 0.239 1.00 0.00 C ATOM 740 CD LYS A 57 -13.296 -12.645 0.169 1.00 0.00 C ATOM 741 CE LYS A 57 -12.626 -13.864 -0.455 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.623 -14.979 -0.503 1.00 0.00 N ATOM 0 H LYS A 57 -11.165 -9.945 2.530 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.660 -8.821 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.431 -10.570 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.944 -10.086 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.931 -11.226 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.446 -11.730 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.652 -12.890 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.168 -12.360 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.271 -13.629 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.755 -14.159 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.331 -15.676 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.674 -15.439 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.558 -14.598 -0.753 1.00 0.00 H new ATOM 756 N TRP A 58 -13.732 -7.771 2.442 1.00 0.00 N ATOM 757 CA TRP A 58 -14.691 -6.713 2.744 1.00 0.00 C ATOM 758 C TRP A 58 -14.057 -5.582 3.543 1.00 0.00 C ATOM 759 O TRP A 58 -14.213 -4.406 3.194 1.00 0.00 O ATOM 760 CB TRP A 58 -15.891 -7.289 3.503 1.00 0.00 C ATOM 761 CG TRP A 58 -17.037 -7.468 2.555 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.468 -8.658 2.071 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.674 -6.442 1.735 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.544 -8.408 1.244 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.620 -7.075 0.889 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.357 -5.097 1.486 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.228 -6.395 -0.171 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.049 -4.379 0.501 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.922 -5.041 -0.373 1.00 0.00 C ATOM 0 H TRP A 58 -13.480 -8.367 3.230 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.029 -6.295 1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.625 -8.245 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.177 -6.621 4.315 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.046 -9.627 2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.203 -9.121 0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.577 -4.614 2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -19.922 -6.904 -0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.909 -3.312 0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.360 -4.508 -1.204 1.00 0.00 H new ATOM 780 N LYS A 59 -13.081 -5.965 4.357 1.00 0.00 N ATOM 781 CA LYS A 59 -12.468 -5.027 5.295 1.00 0.00 C ATOM 782 C LYS A 59 -11.759 -3.893 4.553 1.00 0.00 C ATOM 783 O LYS A 59 -11.572 -2.814 5.117 1.00 0.00 O ATOM 784 CB LYS A 59 -11.518 -5.766 6.246 1.00 0.00 C ATOM 785 CG LYS A 59 -11.251 -4.932 7.503 1.00 0.00 C ATOM 786 CD LYS A 59 -10.422 -5.771 8.482 1.00 0.00 C ATOM 787 CE LYS A 59 -10.153 -4.945 9.742 1.00 0.00 C ATOM 788 NZ LYS A 59 -9.378 -5.753 10.729 1.00 0.00 N ATOM 0 H LYS A 59 -12.698 -6.910 4.389 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.255 -4.573 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.951 -6.726 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.577 -5.977 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.718 -4.017 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.192 -4.632 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.955 -6.686 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.481 -6.069 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.598 -4.043 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.096 -4.624 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.200 -5.183 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.922 -6.601 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.471 -6.038 10.308 1.00 0.00 H new ATOM 802 N ARG A 60 -11.063 -4.286 3.488 1.00 0.00 N ATOM 803 CA ARG A 60 -10.214 -3.375 2.716 1.00 0.00 C ATOM 804 C ARG A 60 -10.925 -2.789 1.498 1.00 0.00 C ATOM 805 O ARG A 60 -10.308 -2.076 0.705 1.00 0.00 O ATOM 806 CB ARG A 60 -8.957 -4.115 2.245 1.00 0.00 C ATOM 807 CG ARG A 60 -8.128 -4.553 3.455 1.00 0.00 C ATOM 808 CD ARG A 60 -7.552 -3.332 4.179 1.00 0.00 C ATOM 809 NE ARG A 60 -6.731 -3.742 5.313 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.207 -3.724 6.553 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.285 -3.051 6.836 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.447 -4.128 7.528 1.00 0.00 N ATOM 0 H ARG A 60 -11.070 -5.243 3.135 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.956 -2.549 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.237 -4.985 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.363 -3.467 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.750 -5.130 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.318 -5.207 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.953 -2.741 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.364 -2.692 4.525 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.772 -4.049 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.770 -2.533 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.645 -3.042 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.500 -4.453 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.798 -4.120 8.486 1.00 0.00 H new ATOM 826 N ARG A 61 -12.168 -3.206 1.272 1.00 0.00 N ATOM 827 CA ARG A 61 -12.889 -2.831 0.062 1.00 0.00 C ATOM 828 C ARG A 61 -14.152 -2.025 0.353 1.00 0.00 C ATOM 829 O ARG A 61 -15.032 -1.966 -0.493 1.00 0.00 O ATOM 830 CB ARG A 61 -13.195 -4.054 -0.812 1.00 0.00 C ATOM 831 CG ARG A 61 -11.882 -4.571 -1.409 1.00 0.00 C ATOM 832 CD ARG A 61 -12.125 -5.793 -2.299 1.00 0.00 C ATOM 833 NE ARG A 61 -10.841 -6.226 -2.842 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.748 -7.053 -3.875 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.803 -7.368 -4.575 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.565 -7.385 -4.308 1.00 0.00 N ATOM 0 H ARG A 61 -12.695 -3.802 1.910 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.225 -2.174 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.673 -4.833 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.892 -3.786 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.408 -3.781 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.192 -4.833 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.585 -6.597 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.814 -5.544 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.984 -5.880 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.713 -6.977 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.718 -8.005 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.732 -7.010 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.472 -8.020 -5.101 1.00 0.00 H new ATOM 850 N TYR A 62 -14.248 -1.405 1.530 1.00 0.00 N ATOM 851 CA TYR A 62 -15.480 -0.683 1.881 1.00 0.00 C ATOM 852 C TYR A 62 -15.282 0.644 2.616 1.00 0.00 C ATOM 853 O TYR A 62 -14.150 1.068 2.846 1.00 0.00 O ATOM 854 CB TYR A 62 -16.452 -1.562 2.685 1.00 0.00 C ATOM 855 CG TYR A 62 -15.854 -2.197 3.930 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.757 -1.607 4.594 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.659 -3.117 4.627 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.423 -2.018 5.896 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.391 -3.412 5.969 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.212 -2.958 6.561 1.00 0.00 C ATOM 861 OH TYR A 62 -14.691 -3.639 7.640 1.00 0.00 O ATOM 0 H TYR A 62 -13.515 -1.384 2.239 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.906 -0.435 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.309 -0.957 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.828 -2.353 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.175 -0.841 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.486 -3.597 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.552 -1.605 6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.097 -3.991 6.546 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.365 -4.257 7.993 1.00 0.00 H new ATOM 871 N CYS A 63 -16.345 1.451 2.531 1.00 0.00 N ATOM 872 CA CYS A 63 -16.495 2.641 3.364 1.00 0.00 C ATOM 873 C CYS A 63 -16.730 2.293 4.831 1.00 0.00 C ATOM 874 O CYS A 63 -17.592 1.475 5.155 1.00 0.00 O ATOM 875 CB CYS A 63 -17.677 3.485 2.875 1.00 0.00 C ATOM 876 SG CYS A 63 -17.371 5.238 3.216 1.00 0.00 S ATOM 0 H CYS A 63 -17.120 1.296 1.886 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.562 3.199 3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -17.824 3.334 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.593 3.164 3.371 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.883 5.961 2.265 1.00 0.00 H new ATOM 881 N LYS A 64 -16.138 3.104 5.697 1.00 0.00 N ATOM 882 CA LYS A 64 -16.251 2.879 7.132 1.00 0.00 C ATOM 883 C LYS A 64 -17.696 3.002 7.614 1.00 0.00 C ATOM 884 O LYS A 64 -18.140 2.182 8.418 1.00 0.00 O ATOM 885 CB LYS A 64 -15.386 3.931 7.834 1.00 0.00 C ATOM 886 CG LYS A 64 -15.371 3.716 9.350 1.00 0.00 C ATOM 887 CD LYS A 64 -14.608 2.437 9.701 1.00 0.00 C ATOM 888 CE LYS A 64 -14.515 2.299 11.221 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.777 1.042 11.548 1.00 0.00 N ATOM 0 H LYS A 64 -15.580 3.916 5.435 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.918 1.867 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.368 3.885 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.767 4.927 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.905 4.571 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.393 3.652 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.115 1.570 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.609 2.466 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.000 3.160 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.513 2.275 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.708 0.938 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.287 0.227 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.821 1.084 11.140 1.00 0.00 H new ATOM 903 N LYS A 65 -18.415 4.018 7.127 1.00 0.00 N ATOM 904 CA LYS A 65 -19.840 4.140 7.443 1.00 0.00 C ATOM 905 C LYS A 65 -20.723 3.297 6.520 1.00 0.00 C ATOM 906 O LYS A 65 -21.718 2.723 6.973 1.00 0.00 O ATOM 907 CB LYS A 65 -20.279 5.613 7.395 1.00 0.00 C ATOM 908 CG LYS A 65 -21.730 5.738 7.880 1.00 0.00 C ATOM 909 CD LYS A 65 -22.162 7.214 7.892 1.00 0.00 C ATOM 910 CE LYS A 65 -23.601 7.329 8.405 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.618 7.210 9.888 1.00 0.00 N ATOM 0 H LYS A 65 -18.043 4.753 6.525 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.971 3.755 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.623 6.218 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.191 5.995 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.389 5.164 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.824 5.316 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.492 7.793 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.090 7.632 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.029 8.285 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.219 6.548 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.587 7.356 10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.290 6.263 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.989 7.928 10.301 1.00 0.00 H new ATOM 925 N CYS A 66 -20.531 3.494 5.213 1.00 0.00 N ATOM 926 CA CYS A 66 -21.473 3.007 4.205 1.00 0.00 C ATOM 927 C CYS A 66 -21.355 1.496 4.063 1.00 0.00 C ATOM 928 O CYS A 66 -22.172 0.871 3.378 1.00 0.00 O ATOM 929 CB CYS A 66 -21.211 3.715 2.873 1.00 0.00 C ATOM 930 SG CYS A 66 -21.216 5.488 3.221 1.00 0.00 S ATOM 0 H CYS A 66 -19.727 3.990 4.828 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.492 3.232 4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.255 3.406 2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.979 3.461 2.142 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.112 6.019 2.786 1.00 0.00 H new ATOM 935 N HIS A 67 -20.126 1.050 4.303 1.00 0.00 N ATOM 936 CA HIS A 67 -19.739 -0.333 4.072 1.00 0.00 C ATOM 937 C HIS A 67 -19.761 -0.625 2.572 1.00 0.00 C ATOM 938 O HIS A 67 -19.222 -1.645 2.145 1.00 0.00 O ATOM 939 CB HIS A 67 -20.679 -1.266 4.848 1.00 0.00 C ATOM 940 CG HIS A 67 -20.518 -0.990 6.320 1.00 0.00 C ATOM 941 ND1 HIS A 67 -21.396 -0.156 7.007 1.00 0.00 N ATOM 942 CD2 HIS A 67 -19.386 -0.997 7.099 1.00 0.00 C ATOM 943 CE1 HIS A 67 -20.895 0.043 8.240 1.00 0.00 C ATOM 944 NE2 HIS A 67 -19.653 -0.423 8.337 1.00 0.00 N ATOM 0 H HIS A 67 -19.373 1.637 4.662 1.00 0.00 H new ATOM 0 HA HIS A 67 -18.725 -0.506 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -21.712 -1.102 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -20.444 -2.308 4.630 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -22.264 0.235 6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -18.428 -1.391 6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -21.432 0.520 9.047 1.00 0.00 H new ATOM 953 N ALA A 68 -20.042 0.418 1.791 1.00 0.00 N ATOM 954 CA ALA A 68 -20.151 0.280 0.341 1.00 0.00 C ATOM 955 C ALA A 68 -18.789 0.047 -0.305 1.00 0.00 C ATOM 956 O ALA A 68 -17.798 0.643 0.115 1.00 0.00 O ATOM 957 CB ALA A 68 -20.783 1.531 -0.275 1.00 0.00 C ATOM 0 H ALA A 68 -20.198 1.365 2.138 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.784 -0.586 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.855 1.408 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.780 1.677 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.165 2.400 -0.049 1.00 0.00 H new ATOM 963 N PHE A 69 -18.772 -0.642 -1.443 1.00 0.00 N ATOM 964 CA PHE A 69 -17.517 -1.108 -2.022 1.00 0.00 C ATOM 965 C PHE A 69 -16.652 0.089 -2.428 1.00 0.00 C ATOM 966 O PHE A 69 -17.173 1.067 -2.957 1.00 0.00 O ATOM 967 CB PHE A 69 -17.845 -1.958 -3.256 1.00 0.00 C ATOM 968 CG PHE A 69 -16.761 -2.979 -3.522 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.522 -2.542 -4.010 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.161 -4.300 -3.790 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.591 -3.472 -4.477 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.288 -5.191 -4.427 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.033 -4.740 -4.852 1.00 0.00 C ATOM 0 H PHE A 69 -19.605 -0.888 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.965 -1.701 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.798 -2.466 -3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -17.960 -1.311 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.288 -1.488 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.148 -4.630 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.545 -3.213 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.581 -6.218 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.410 -5.371 -5.468 1.00 0.00 H new ATOM 983 N LEU A 70 -15.381 0.090 -2.021 1.00 0.00 N ATOM 984 CA LEU A 70 -14.508 1.219 -2.326 1.00 0.00 C ATOM 985 C LEU A 70 -13.667 0.914 -3.561 1.00 0.00 C ATOM 986 O LEU A 70 -12.548 0.406 -3.467 1.00 0.00 O ATOM 987 CB LEU A 70 -13.619 1.529 -1.118 1.00 0.00 C ATOM 988 CG LEU A 70 -13.989 2.865 -0.463 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.614 4.028 -1.391 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.484 2.914 -0.135 1.00 0.00 C ATOM 0 H LEU A 70 -14.943 -0.663 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.116 2.098 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.711 0.728 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.576 1.556 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.430 2.958 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.881 4.972 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.541 4.009 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.153 3.930 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.724 3.871 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.062 2.801 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.732 2.105 0.552 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.119 1.505 -4.666 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.297 1.723 -5.852 1.00 0.00 C ATOM 1004 C VAL A 71 -13.556 3.139 -6.354 1.00 0.00 C ATOM 1005 O VAL A 71 -14.702 3.597 -6.309 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.670 0.685 -6.914 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.927 0.953 -8.224 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.300 -0.709 -6.399 1.00 0.00 C ATOM 0 H VAL A 71 -15.075 1.848 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.237 1.613 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.741 0.748 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.209 0.202 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.190 1.944 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.852 0.904 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.562 -1.455 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.229 -0.752 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.846 -0.913 -5.478 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.515 3.898 -6.729 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.728 5.271 -7.269 1.00 0.00 C ATOM 1020 C PRO A 72 -13.543 5.261 -8.562 1.00 0.00 C ATOM 1021 O PRO A 72 -13.276 4.482 -9.481 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.314 5.811 -7.505 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.391 4.937 -6.725 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.083 3.579 -6.580 1.00 0.00 C ATOM 0 HA PRO A 72 -13.303 5.891 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.063 5.791 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.235 6.848 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.435 4.831 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.182 5.371 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.748 2.876 -7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.873 3.124 -5.612 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.384 6.283 -8.690 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.202 6.509 -9.878 1.00 0.00 C ATOM 1034 C GLY A 73 -16.595 5.893 -9.747 1.00 0.00 C ATOM 1035 O GLY A 73 -17.367 5.934 -10.716 1.00 0.00 O ATOM 0 H GLY A 73 -14.518 6.986 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.296 7.581 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.700 6.086 -10.748 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.767 5.049 -8.726 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.818 4.035 -8.772 1.00 0.00 C ATOM 1041 C ILE A 74 -18.983 4.405 -7.848 1.00 0.00 C ATOM 1042 O ILE A 74 -20.000 4.927 -8.307 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.229 2.687 -8.346 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -15.977 2.345 -9.164 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.281 1.600 -8.574 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.288 2.235 -10.660 1.00 0.00 C ATOM 0 H ILE A 74 -16.204 5.048 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.201 3.973 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.948 2.745 -7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.219 3.112 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.557 1.404 -8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -17.876 0.633 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.168 1.821 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.550 1.570 -9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.376 1.992 -11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.027 1.450 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.683 3.185 -11.020 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.760 4.256 -6.535 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.611 4.875 -5.513 1.00 0.00 C ATOM 1060 C ASN A 75 -18.905 6.037 -4.827 1.00 0.00 C ATOM 1061 O ASN A 75 -19.464 6.682 -3.938 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.989 3.855 -4.431 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.764 3.400 -3.640 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.632 3.700 -4.021 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.929 2.964 -2.422 1.00 0.00 N ATOM 0 H ASN A 75 -17.989 3.706 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.502 5.237 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.719 4.296 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.466 2.991 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.126 2.875 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.861 2.712 -2.092 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.713 6.348 -5.318 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.793 7.249 -4.636 1.00 0.00 C ATOM 1074 C ALA A 76 -15.810 7.769 -5.675 1.00 0.00 C ATOM 1075 O ALA A 76 -15.323 6.983 -6.487 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.018 6.504 -3.541 1.00 0.00 C ATOM 0 H ALA A 76 -17.356 5.983 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.348 8.063 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.337 7.194 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.719 6.097 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.447 5.690 -3.989 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.281 8.963 -5.431 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.373 9.617 -6.369 1.00 0.00 C ATOM 1084 C ARG A 77 -13.125 10.049 -5.618 1.00 0.00 C ATOM 1085 O ARG A 77 -13.201 10.438 -4.455 1.00 0.00 O ATOM 1086 CB ARG A 77 -15.027 10.842 -7.019 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.168 11.280 -8.216 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.758 12.524 -8.882 1.00 0.00 C ATOM 1089 NE ARG A 77 -16.071 12.219 -9.436 1.00 0.00 N ATOM 1090 CZ ARG A 77 -16.236 11.646 -10.619 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.214 11.204 -11.293 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -17.433 11.264 -10.958 1.00 0.00 N ATOM 0 H ARG A 77 -15.467 9.502 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.121 8.911 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.038 10.601 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.111 11.654 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.151 11.488 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.106 10.469 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.840 13.331 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.093 12.873 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.899 12.457 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.273 11.297 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.354 10.765 -12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.215 11.409 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.590 10.820 -11.863 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.990 9.963 -6.305 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.703 10.278 -5.702 1.00 0.00 C ATOM 1108 C VAL A 78 -9.987 11.341 -6.527 1.00 0.00 C ATOM 1109 O VAL A 78 -10.205 11.447 -7.735 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.835 9.018 -5.597 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.292 8.603 -6.970 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.670 9.298 -4.644 1.00 0.00 C ATOM 0 H VAL A 78 -11.937 9.677 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.875 10.664 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.447 8.200 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.680 7.707 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.124 8.397 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.685 9.410 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.046 8.408 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.074 10.125 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.060 9.560 -3.660 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.465 12.322 -5.803 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.610 13.346 -6.391 1.00 0.00 C ATOM 1124 C ARG A 79 -7.189 13.117 -5.900 1.00 0.00 C ATOM 1125 O ARG A 79 -6.982 12.777 -4.730 1.00 0.00 O ATOM 1126 CB ARG A 79 -9.083 14.736 -5.947 1.00 0.00 C ATOM 1127 CG ARG A 79 -8.260 15.837 -6.623 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.720 17.204 -6.108 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.079 17.466 -6.568 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.724 18.580 -6.260 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -10.181 19.458 -5.470 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.954 18.728 -6.653 1.00 0.00 N ATOM 0 H ARG A 79 -9.620 12.431 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.652 13.289 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.137 14.861 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.996 14.825 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.200 15.695 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.381 15.784 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.683 17.225 -5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.047 17.984 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.548 16.768 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.252 19.291 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.684 20.314 -5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.410 17.991 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.464 19.581 -6.423 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.254 13.122 -6.837 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.866 12.894 -6.473 1.00 0.00 C ATOM 1148 C LEU A 80 -4.124 14.224 -6.554 1.00 0.00 C ATOM 1149 O LEU A 80 -4.267 14.960 -7.533 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.258 11.873 -7.437 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.109 10.593 -7.422 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.271 10.724 -8.415 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.257 9.379 -7.797 1.00 0.00 C ATOM 0 H LEU A 80 -6.424 13.277 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.788 12.501 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.219 12.286 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.233 11.646 -7.145 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.503 10.454 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.869 9.813 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.895 11.573 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.876 10.880 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.875 8.482 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.845 9.518 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.443 9.271 -7.081 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.491 14.594 -5.445 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.805 15.879 -5.351 1.00 0.00 C ATOM 1167 C ARG A 81 -1.305 15.676 -5.202 1.00 0.00 C ATOM 1168 O ARG A 81 -0.867 14.953 -4.304 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.345 16.688 -4.170 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.802 17.073 -4.445 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.375 17.847 -3.257 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.515 16.983 -2.085 1.00 0.00 N ATOM 1173 CZ ARG A 81 -5.953 17.451 -0.922 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.222 18.715 -0.780 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -5.864 16.697 0.135 1.00 0.00 N ATOM 0 H ARG A 81 -3.439 14.024 -4.601 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.992 16.433 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.278 16.103 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.742 17.584 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.861 17.681 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.395 16.177 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.723 18.687 -3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.346 18.263 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.270 15.996 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.097 19.354 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.558 19.067 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.463 15.762 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.196 17.041 1.036 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.539 16.507 -5.908 1.00 0.00 N ATOM 1190 CA GLN A 82 0.913 16.390 -5.883 1.00 0.00 C ATOM 1191 C GLN A 82 1.535 17.611 -5.209 1.00 0.00 C ATOM 1192 O GLN A 82 1.358 18.756 -5.636 1.00 0.00 O ATOM 1193 CB GLN A 82 1.451 16.204 -7.304 1.00 0.00 C ATOM 1194 CG GLN A 82 2.969 15.983 -7.272 1.00 0.00 C ATOM 1195 CD GLN A 82 3.506 15.785 -8.688 1.00 0.00 C ATOM 1196 OE1 GLN A 82 3.138 16.510 -9.610 1.00 0.00 O ATOM 1197 NE2 GLN A 82 4.353 14.819 -8.921 1.00 0.00 N ATOM 0 H GLN A 82 -0.897 17.259 -6.497 1.00 0.00 H new ATOM 0 HA GLN A 82 1.188 15.512 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.962 15.352 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.217 17.081 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.458 16.839 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.204 15.111 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.661 14.215 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.707 14.668 -9.866 1.00 0.00 H new ATOM 1206 N LYS A 83 1.994 17.313 -4.001 1.00 0.00 N ATOM 1207 CA LYS A 83 2.820 18.175 -3.159 1.00 0.00 C ATOM 1208 C LYS A 83 3.924 17.246 -2.661 1.00 0.00 C ATOM 1209 O LYS A 83 3.842 16.043 -2.952 1.00 0.00 O ATOM 1210 CB LYS A 83 1.986 18.699 -1.982 1.00 0.00 C ATOM 1211 CG LYS A 83 0.880 19.634 -2.498 1.00 0.00 C ATOM 1212 CD LYS A 83 0.034 20.131 -1.320 1.00 0.00 C ATOM 1213 CE LYS A 83 -1.079 21.050 -1.838 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.907 21.503 -0.683 1.00 0.00 N ATOM 0 H LYS A 83 1.791 16.418 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 83 3.212 19.046 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.544 17.864 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.627 19.233 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.322 20.480 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.250 19.107 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.398 19.284 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.662 20.668 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.649 21.909 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.699 20.521 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.666 22.128 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.325 20.676 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.308 22.021 -0.009 1.00 0.00 H new ATOM 1228 N ARG A 84 5.015 17.730 -2.062 1.00 0.00 N ATOM 1229 CA ARG A 84 5.950 16.699 -1.608 1.00 0.00 C ATOM 1230 C ARG A 84 5.417 16.195 -0.269 1.00 0.00 C ATOM 1231 O ARG A 84 6.200 15.871 0.629 1.00 0.00 O ATOM 1232 CB ARG A 84 7.285 17.391 -1.310 1.00 0.00 C ATOM 1233 CG ARG A 84 7.884 18.046 -2.557 1.00 0.00 C ATOM 1234 CD ARG A 84 9.191 18.757 -2.180 1.00 0.00 C ATOM 1235 NE ARG A 84 8.885 19.859 -1.271 1.00 0.00 N ATOM 1236 CZ ARG A 84 8.467 21.039 -1.713 1.00 0.00 C ATOM 1237 NH1 ARG A 84 8.245 21.238 -2.983 1.00 0.00 N ATOM 1238 NH2 ARG A 84 8.346 22.020 -0.872 1.00 0.00 N ATOM 0 H ARG A 84 5.257 18.706 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 84 6.063 15.902 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.137 18.147 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.990 16.662 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.074 17.293 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.178 18.760 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.878 18.056 -1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.687 19.133 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 84 8.996 19.718 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.392 20.482 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.924 22.150 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.571 21.878 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.026 22.933 -1.196 1.00 0.00 H new ATOM 1252 N MET A 85 4.168 15.717 -0.341 1.00 0.00 N ATOM 1253 CA MET A 85 3.564 14.740 0.560 1.00 0.00 C ATOM 1254 C MET A 85 2.502 13.991 -0.257 1.00 0.00 C ATOM 1255 O MET A 85 1.578 14.678 -0.699 1.00 0.00 O ATOM 1256 CB MET A 85 2.903 15.490 1.732 1.00 0.00 C ATOM 1257 CG MET A 85 3.268 16.981 1.703 1.00 0.00 C ATOM 1258 SD MET A 85 2.406 17.870 3.018 1.00 0.00 S ATOM 1259 CE MET A 85 3.883 18.485 3.862 1.00 0.00 C ATOM 0 H MET A 85 3.522 16.020 -1.069 1.00 0.00 H new ATOM 0 HA MET A 85 4.300 14.045 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.820 15.375 1.678 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.223 15.051 2.677 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.345 17.100 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.005 17.407 0.735 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.587 19.077 4.728 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.493 17.643 4.189 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.460 19.107 3.178 1.00 0.00 H new ATOM 1269 N PRO A 86 2.671 12.762 -0.779 1.00 0.00 N ATOM 1270 CA PRO A 86 1.593 12.216 -1.655 1.00 0.00 C ATOM 1271 C PRO A 86 0.276 12.131 -0.876 1.00 0.00 C ATOM 1272 O PRO A 86 0.207 11.454 0.157 1.00 0.00 O ATOM 1273 CB PRO A 86 2.105 10.823 -2.043 1.00 0.00 C ATOM 1274 CG PRO A 86 3.585 10.847 -1.814 1.00 0.00 C ATOM 1275 CD PRO A 86 3.865 11.904 -0.742 1.00 0.00 C ATOM 0 HA PRO A 86 1.389 12.836 -2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.629 10.051 -1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.875 10.599 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.939 9.868 -1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.112 11.087 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.003 11.452 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.771 12.468 -0.963 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.808 12.570 -1.513 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.128 12.557 -0.884 1.00 0.00 C ATOM 1285 C HIS A 87 -3.220 12.294 -1.920 1.00 0.00 C ATOM 1286 O HIS A 87 -3.261 12.969 -2.948 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.374 13.895 -0.179 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.698 13.907 1.164 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.339 14.136 1.287 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -2.136 13.588 2.430 1.00 0.00 C ATOM 1291 CE1 HIS A 87 0.005 13.798 2.541 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.071 13.683 3.319 1.00 0.00 N ATOM 0 H HIS A 87 -0.799 12.939 -2.464 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.159 11.752 -0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.995 14.712 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.445 14.058 -0.057 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.284 14.494 0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.146 13.308 2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.020 13.640 2.875 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.232 11.528 -1.518 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.473 11.413 -2.277 1.00 0.00 C ATOM 1303 C ILE A 88 -6.661 11.692 -1.356 1.00 0.00 C ATOM 1304 O ILE A 88 -6.616 11.364 -0.164 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.571 10.016 -2.896 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.621 8.938 -1.809 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.334 9.775 -3.768 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.880 7.563 -2.435 1.00 0.00 C ATOM 0 H ILE A 88 -4.215 10.973 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.484 12.145 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.484 9.960 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.680 8.923 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.407 9.172 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.392 8.783 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.293 10.526 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.436 9.844 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.913 6.807 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.832 7.578 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.079 7.325 -3.135 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.702 12.318 -1.902 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.941 12.511 -1.157 1.00 0.00 C ATOM 1322 C VAL A 89 -10.087 11.779 -1.841 1.00 0.00 C ATOM 1323 O VAL A 89 -10.370 12.019 -3.010 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.274 14.002 -1.008 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.297 14.666 -0.033 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.208 14.731 -2.354 1.00 0.00 C ATOM 0 H VAL A 89 -7.711 12.697 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.802 12.097 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.292 14.072 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.543 15.723 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.372 14.184 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.280 14.563 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.450 15.784 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.203 14.642 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.924 14.286 -3.044 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.830 11.016 -1.046 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.873 10.145 -1.569 1.00 0.00 C ATOM 1338 C VAL A 90 -13.202 10.569 -0.959 1.00 0.00 C ATOM 1339 O VAL A 90 -13.383 10.453 0.253 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.590 8.684 -1.190 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.813 7.810 -1.486 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.390 8.152 -1.973 1.00 0.00 C ATOM 0 H VAL A 90 -10.727 10.984 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.903 10.226 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.369 8.647 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.597 6.777 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.665 8.168 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.049 7.862 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.203 7.115 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.599 8.207 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.511 8.754 -1.744 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.192 10.733 -1.828 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.536 11.077 -1.389 1.00 0.00 C ATOM 1354 C LYS A 91 -16.428 9.914 -1.803 1.00 0.00 C ATOM 1355 O LYS A 91 -16.454 9.570 -2.985 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.066 12.367 -2.047 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.378 12.746 -3.375 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.909 13.162 -3.201 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.300 13.546 -4.554 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.870 13.919 -4.356 1.00 0.00 N ATOM 0 H LYS A 91 -14.089 10.633 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.530 11.253 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.135 12.253 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.947 13.192 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.430 11.898 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.928 13.564 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.842 14.004 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.342 12.343 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.378 12.712 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.849 14.380 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.357 13.819 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.810 14.905 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.444 13.293 -3.643 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.096 9.277 -0.844 1.00 0.00 N ATOM 1375 CA CYS A 92 -17.987 8.170 -1.174 1.00 0.00 C ATOM 1376 C CYS A 92 -19.420 8.609 -0.930 1.00 0.00 C ATOM 1377 O CYS A 92 -19.806 8.876 0.204 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.649 6.934 -0.334 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.137 5.951 0.005 1.00 0.00 S ATOM 0 H CYS A 92 -17.039 9.503 0.149 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.861 7.900 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -16.916 6.322 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.191 7.243 0.606 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.397 5.191 -1.017 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.227 8.449 -1.968 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.481 9.173 -2.100 1.00 0.00 C ATOM 1386 C LEU A 93 -22.415 8.780 -0.961 1.00 0.00 C ATOM 1387 O LEU A 93 -23.126 9.632 -0.416 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.090 8.942 -3.481 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.229 9.672 -4.523 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.619 9.225 -5.934 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.449 11.187 -4.382 1.00 0.00 C ATOM 0 H LEU A 93 -20.031 7.814 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.305 10.246 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.130 7.876 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.115 9.313 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.179 9.433 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.003 9.749 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.463 8.151 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.669 9.457 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.841 11.713 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.501 11.419 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.161 11.505 -3.380 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.404 7.491 -0.613 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.398 6.938 0.307 1.00 0.00 C ATOM 1405 C GLU A 94 -23.254 7.597 1.682 1.00 0.00 C ATOM 1406 O GLU A 94 -24.234 7.651 2.425 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.264 5.416 0.497 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.452 4.728 -0.611 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.975 5.118 -1.986 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.180 5.068 -2.176 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.213 5.769 -2.675 1.00 0.00 O ATOM 0 H GLU A 94 -21.721 6.814 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.372 7.142 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.791 5.218 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.260 4.974 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.402 5.006 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.507 3.646 -0.490 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.018 7.875 2.112 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.840 8.714 3.307 1.00 0.00 C ATOM 1420 C CYS A 95 -22.101 10.179 2.959 1.00 0.00 C ATOM 1421 O CYS A 95 -22.425 10.997 3.828 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.453 8.598 3.959 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.129 8.460 2.730 1.00 0.00 S ATOM 0 H CYS A 95 -21.157 7.548 1.673 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.562 8.344 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.274 9.471 4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.432 7.726 4.612 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.607 8.709 1.547 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.728 10.522 1.734 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.728 11.911 1.292 1.00 0.00 C ATOM 1430 C GLY A 96 -20.468 12.637 1.762 1.00 0.00 C ATOM 1431 O GLY A 96 -20.408 13.861 1.686 1.00 0.00 O ATOM 0 H GLY A 96 -21.420 9.855 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.790 11.950 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.611 12.419 1.680 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.486 11.893 2.277 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.406 12.485 3.063 1.00 0.00 C ATOM 1437 C HIS A 97 -17.037 12.223 2.439 1.00 0.00 C ATOM 1438 O HIS A 97 -16.851 11.270 1.680 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.425 11.999 4.515 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.700 12.469 5.152 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.994 13.818 5.263 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.593 11.843 5.982 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.148 13.914 5.944 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.631 12.716 6.278 1.00 0.00 N ATOM 0 H HIS A 97 -19.418 10.882 2.163 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.580 13.561 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.360 10.912 4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.563 12.389 5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.503 10.831 6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.628 14.849 6.192 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.549 12.493 6.662 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.137 13.184 2.642 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.777 13.132 2.104 1.00 0.00 C ATOM 1455 C ILE A 98 -13.807 12.506 3.106 1.00 0.00 C ATOM 1456 O ILE A 98 -13.984 12.654 4.315 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.317 14.552 1.739 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.936 14.537 1.075 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.268 15.427 2.998 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.960 13.749 -0.233 1.00 0.00 C ATOM 0 H ILE A 98 -16.331 14.024 3.187 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.782 12.507 1.211 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.036 14.964 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.612 15.559 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.207 14.096 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.941 16.432 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.260 15.476 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.568 14.996 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.966 13.756 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.260 12.720 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.671 14.207 -0.921 1.00 0.00 H new ATOM 1472 N MET A 99 -13.071 11.520 2.596 1.00 0.00 N ATOM 1473 CA MET A 99 -12.029 10.829 3.348 1.00 0.00 C ATOM 1474 C MET A 99 -10.665 11.145 2.753 1.00 0.00 C ATOM 1475 O MET A 99 -10.494 11.145 1.533 1.00 0.00 O ATOM 1476 CB MET A 99 -12.273 9.322 3.276 1.00 0.00 C ATOM 1477 CG MET A 99 -13.559 8.962 4.026 1.00 0.00 C ATOM 1478 SD MET A 99 -13.911 7.199 3.817 1.00 0.00 S ATOM 1479 CE MET A 99 -12.501 6.547 4.742 1.00 0.00 C ATOM 0 H MET A 99 -13.183 11.177 1.642 1.00 0.00 H new ATOM 0 HA MET A 99 -12.054 11.161 4.386 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.349 9.007 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.428 8.788 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.453 9.199 5.085 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.391 9.556 3.648 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.733 5.544 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.627 6.506 4.092 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.291 7.197 5.592 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.695 11.369 3.636 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.320 11.634 3.227 1.00 0.00 C ATOM 1491 C ARG A 100 -7.513 10.347 3.352 1.00 0.00 C ATOM 1492 O ARG A 100 -7.538 9.690 4.395 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.730 12.712 4.142 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.430 14.051 3.883 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.875 15.131 4.821 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.557 16.398 4.563 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.337 17.477 5.310 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.376 17.489 6.194 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.064 18.544 5.127 1.00 0.00 N ATOM 0 H ARG A 100 -9.839 11.372 4.646 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.290 11.981 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.852 12.423 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.660 12.810 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.284 14.351 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.504 13.944 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.018 14.834 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.802 15.245 4.667 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.219 16.457 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.786 16.666 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.216 18.321 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.795 18.547 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.902 19.375 5.695 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.734 10.037 2.319 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.766 8.949 2.393 1.00 0.00 C ATOM 1515 C TYR A 101 -4.374 9.514 2.136 1.00 0.00 C ATOM 1516 O TYR A 101 -4.085 9.966 1.029 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.114 7.890 1.340 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.539 6.598 2.003 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -7.806 6.502 2.600 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -5.709 5.468 1.935 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -8.256 5.261 3.078 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -6.158 4.240 2.424 1.00 0.00 C ATOM 1523 CZ TYR A 101 -7.394 4.160 3.072 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.787 2.975 3.660 1.00 0.00 O ATOM 0 H TYR A 101 -6.755 10.524 1.423 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.791 8.485 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.916 8.257 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.251 7.709 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.431 7.378 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.722 5.549 1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.265 5.157 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.552 3.354 2.302 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.072 2.311 3.567 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.607 9.755 3.207 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.150 10.055 3.099 1.00 0.00 C ATOM 1536 C PRO A 102 -1.401 8.876 2.491 1.00 0.00 C ATOM 1537 O PRO A 102 -1.661 7.732 2.857 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.717 10.305 4.549 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.979 10.510 5.321 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.028 9.657 4.613 1.00 0.00 C ATOM 0 HA PRO A 102 -1.938 10.905 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.153 9.458 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.070 11.179 4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.859 10.203 6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.268 11.561 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.024 8.627 4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.036 10.042 4.764 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.391 9.177 1.680 1.00 0.00 N ATOM 1549 CA TYR A 103 0.540 8.159 1.207 1.00 0.00 C ATOM 1550 C TYR A 103 1.973 8.687 1.223 1.00 0.00 C ATOM 1551 O TYR A 103 2.215 9.834 0.848 1.00 0.00 O ATOM 1552 CB TYR A 103 0.135 7.725 -0.203 1.00 0.00 C ATOM 1553 CG TYR A 103 1.037 6.619 -0.705 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.911 5.328 -0.181 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.045 6.903 -1.636 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.791 4.324 -0.582 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.871 5.875 -2.100 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.734 4.581 -1.584 1.00 0.00 C ATOM 1559 OH TYR A 103 3.365 3.528 -2.211 1.00 0.00 O ATOM 0 H TYR A 103 -0.197 10.118 1.337 1.00 0.00 H new ATOM 0 HA TYR A 103 0.500 7.297 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.900 7.383 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.187 8.578 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.132 5.109 0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.183 7.913 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.745 3.349 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.615 6.079 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 103 3.989 3.874 -2.882 1.00 0.00 H new