USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.21) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 151:sc= -0.666 (180deg=-1.86!) USER MOD Single : A 36 CYS SG : rot 180:sc= -0.0035 USER MOD Single : A 40 THR OG1 : rot -170:sc= -2.15! USER MOD Single : A 42 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=-0.0092) USER MOD Single : A 45 GLN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0662 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= -0.079 (180deg=-0.825) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00328 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -9.853 11.605 -3.149 1.00 0.00 N ATOM 12 CA ASP A 9 -8.560 10.992 -2.868 1.00 0.00 C ATOM 13 C ASP A 9 -8.411 10.693 -1.379 1.00 0.00 C ATOM 14 O ASP A 9 -7.808 11.469 -0.637 1.00 0.00 O ATOM 15 CB ASP A 9 -7.426 11.910 -3.332 1.00 0.00 C ATOM 16 CG ASP A 9 -6.249 11.135 -3.891 1.00 0.00 C ATOM 17 OD1 ASP A 9 -5.844 10.135 -3.263 1.00 0.00 O ATOM 18 OD2 ASP A 9 -5.733 11.529 -4.958 1.00 0.00 O ATOM 0 HA ASP A 9 -8.505 10.051 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.803 12.593 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.091 12.521 -2.494 1.00 0.00 H new ATOM 23 N ARG A 10 -8.964 9.564 -0.950 1.00 0.00 N ATOM 24 CA ARG A 10 -8.893 9.160 0.450 1.00 0.00 C ATOM 25 C ARG A 10 -8.353 7.740 0.579 1.00 0.00 C ATOM 26 O ARG A 10 -8.350 6.977 -0.387 1.00 0.00 O ATOM 27 CB ARG A 10 -10.274 9.255 1.102 1.00 0.00 C ATOM 28 CG ARG A 10 -10.986 10.569 0.831 1.00 0.00 C ATOM 29 CD ARG A 10 -11.833 10.495 -0.428 1.00 0.00 C ATOM 30 NE ARG A 10 -12.700 11.662 -0.575 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.781 11.881 0.171 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.131 11.015 1.116 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.515 12.967 -0.028 1.00 0.00 N ATOM 0 H ARG A 10 -9.467 8.912 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.210 9.837 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.894 8.434 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.168 9.124 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.618 10.823 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.251 11.368 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.182 10.415 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.443 9.592 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.463 12.349 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.571 10.177 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.960 11.188 1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.252 13.635 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.343 13.135 0.543 1.00 0.00 H new ATOM 47 N LYS A 11 -7.896 7.390 1.777 1.00 0.00 N ATOM 48 CA LYS A 11 -7.352 6.059 2.027 1.00 0.00 C ATOM 49 C LYS A 11 -7.678 5.599 3.442 1.00 0.00 C ATOM 50 O LYS A 11 -7.813 6.413 4.353 1.00 0.00 O ATOM 51 CB LYS A 11 -5.837 6.057 1.813 1.00 0.00 C ATOM 52 CG LYS A 11 -5.107 7.113 2.624 1.00 0.00 C ATOM 53 CD LYS A 11 -3.685 6.682 2.951 1.00 0.00 C ATOM 54 CE LYS A 11 -2.706 7.839 2.827 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.822 7.949 4.019 1.00 0.00 N ATOM 0 H LYS A 11 -7.891 8.008 2.589 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.812 5.365 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.443 5.075 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.628 6.214 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.085 8.050 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.652 7.304 3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.650 6.282 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.385 5.877 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.096 7.704 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.259 8.770 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.170 8.750 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.402 8.103 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.275 7.071 4.128 1.00 0.00 H new ATOM 69 N LEU A 12 -7.818 4.290 3.621 1.00 0.00 N ATOM 70 CA LEU A 12 -8.148 3.733 4.918 1.00 0.00 C ATOM 71 C LEU A 12 -6.924 3.450 5.750 1.00 0.00 C ATOM 72 O LEU A 12 -5.906 2.955 5.269 1.00 0.00 O ATOM 73 CB LEU A 12 -8.964 2.467 4.743 1.00 0.00 C ATOM 74 CG LEU A 12 -10.342 2.759 4.200 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.514 2.177 2.805 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.423 2.253 5.141 1.00 0.00 C ATOM 0 H LEU A 12 -7.707 3.598 2.880 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.735 4.479 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.443 1.789 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.052 1.956 5.702 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.447 3.841 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.515 2.402 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.775 2.615 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.375 1.096 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.404 2.478 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.321 1.175 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.321 2.743 6.109 1.00 0.00 H new ATOM 88 N CYS A 13 -7.059 3.789 7.013 1.00 0.00 N ATOM 89 CA CYS A 13 -5.987 3.606 7.983 1.00 0.00 C ATOM 90 C CYS A 13 -6.494 2.912 9.240 1.00 0.00 C ATOM 91 O CYS A 13 -7.699 2.824 9.474 1.00 0.00 O ATOM 92 CB CYS A 13 -5.371 4.956 8.350 1.00 0.00 C ATOM 93 SG CYS A 13 -3.635 4.860 8.894 1.00 0.00 S ATOM 0 H CYS A 13 -7.909 4.198 7.402 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.226 2.974 7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.434 5.618 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.964 5.410 9.144 1.00 0.00 H new ATOM 98 N ALA A 14 -5.560 2.424 10.047 1.00 0.00 N ATOM 99 CA ALA A 14 -5.897 1.740 11.288 1.00 0.00 C ATOM 100 C ALA A 14 -6.337 2.734 12.359 1.00 0.00 C ATOM 101 O ALA A 14 -5.714 2.841 13.416 1.00 0.00 O ATOM 102 CB ALA A 14 -4.710 0.923 11.773 1.00 0.00 C ATOM 0 H ALA A 14 -4.559 2.490 9.863 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.732 1.067 11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.972 0.416 12.701 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.445 0.183 11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.861 1.584 11.948 1.00 0.00 H new ATOM 108 N ASP A 15 -7.415 3.461 12.079 1.00 0.00 N ATOM 109 CA ASP A 15 -7.939 4.448 13.017 1.00 0.00 C ATOM 110 C ASP A 15 -6.956 5.602 13.197 1.00 0.00 C ATOM 111 O ASP A 15 -6.017 5.759 12.417 1.00 0.00 O ATOM 112 CB ASP A 15 -8.239 3.793 14.369 1.00 0.00 C ATOM 113 CG ASP A 15 -9.690 3.952 14.779 1.00 0.00 C ATOM 114 OD1 ASP A 15 -10.181 5.100 14.792 1.00 0.00 O ATOM 115 OD2 ASP A 15 -10.335 2.928 15.087 1.00 0.00 O ATOM 0 H ASP A 15 -7.943 3.385 11.209 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.866 4.848 12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.993 2.732 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.598 4.233 15.133 1.00 0.00 H new ATOM 120 N GLN A 16 -7.180 6.408 14.231 1.00 0.00 N ATOM 121 CA GLN A 16 -6.316 7.548 14.515 1.00 0.00 C ATOM 122 C GLN A 16 -4.894 7.100 14.853 1.00 0.00 C ATOM 123 O GLN A 16 -3.961 7.901 14.825 1.00 0.00 O ATOM 124 CB GLN A 16 -6.894 8.373 15.668 1.00 0.00 C ATOM 125 CG GLN A 16 -7.036 9.852 15.345 1.00 0.00 C ATOM 126 CD GLN A 16 -8.415 10.391 15.667 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.616 11.046 16.690 1.00 0.00 O ATOM 128 NE2 GLN A 16 -9.377 10.118 14.792 1.00 0.00 N ATOM 0 H GLN A 16 -7.953 6.292 14.886 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.270 8.165 13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.872 7.972 15.936 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.253 8.260 16.542 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.290 10.415 15.906 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.826 10.010 14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.167 9.572 13.957 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.326 10.455 14.956 1.00 0.00 H new ATOM 137 N GLU A 17 -4.735 5.819 15.175 1.00 0.00 N ATOM 138 CA GLU A 17 -3.428 5.277 15.519 1.00 0.00 C ATOM 139 C GLU A 17 -2.519 5.221 14.295 1.00 0.00 C ATOM 140 O GLU A 17 -1.492 5.897 14.242 1.00 0.00 O ATOM 141 CB GLU A 17 -3.577 3.878 16.124 1.00 0.00 C ATOM 142 CG GLU A 17 -3.589 3.870 17.644 1.00 0.00 C ATOM 143 CD GLU A 17 -3.538 2.467 18.218 1.00 0.00 C ATOM 144 OE1 GLU A 17 -4.545 1.738 18.093 1.00 0.00 O ATOM 145 OE2 GLU A 17 -2.494 2.099 18.794 1.00 0.00 O ATOM 0 H GLU A 17 -5.495 5.139 15.204 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.971 5.938 16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.502 3.430 15.759 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.758 3.250 15.772 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.738 4.442 18.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.489 4.372 18.000 1.00 0.00 H new ATOM 152 N CYS A 18 -2.904 4.412 13.313 1.00 0.00 N ATOM 153 CA CYS A 18 -2.122 4.269 12.091 1.00 0.00 C ATOM 154 C CYS A 18 -0.720 3.752 12.399 1.00 0.00 C ATOM 155 O CYS A 18 0.238 4.066 11.692 1.00 0.00 O ATOM 156 CB CYS A 18 -2.032 5.610 11.360 1.00 0.00 C ATOM 157 SG CYS A 18 -3.565 6.096 10.503 1.00 0.00 S ATOM 0 H CYS A 18 -3.752 3.846 13.340 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.625 3.545 11.450 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.769 6.386 12.079 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.222 5.561 10.632 1.00 0.00 H new ATOM 162 N SER A 19 -0.606 2.958 13.459 1.00 0.00 N ATOM 163 CA SER A 19 0.679 2.399 13.860 1.00 0.00 C ATOM 164 C SER A 19 0.831 0.967 13.358 1.00 0.00 C ATOM 165 O SER A 19 1.928 0.536 13.002 1.00 0.00 O ATOM 166 CB SER A 19 0.822 2.437 15.383 1.00 0.00 C ATOM 167 OG SER A 19 2.115 2.874 15.764 1.00 0.00 O ATOM 0 H SER A 19 -1.388 2.688 14.055 1.00 0.00 H new ATOM 0 HA SER A 19 1.466 3.006 13.413 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.070 3.104 15.805 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.635 1.445 15.794 1.00 0.00 H new ATOM 0 HG SER A 19 2.180 2.891 16.742 1.00 0.00 H new ATOM 173 N HIS A 20 -0.278 0.233 13.331 1.00 0.00 N ATOM 174 CA HIS A 20 -0.266 -1.150 12.872 1.00 0.00 C ATOM 175 C HIS A 20 -0.701 -1.243 11.411 1.00 0.00 C ATOM 176 O HIS A 20 -1.542 -0.467 10.957 1.00 0.00 O ATOM 177 CB HIS A 20 -1.185 -2.006 13.745 1.00 0.00 C ATOM 178 CG HIS A 20 -0.576 -2.389 15.059 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.736 -2.790 15.192 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.108 -2.432 16.303 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.985 -3.063 16.460 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.117 -2.852 17.156 1.00 0.00 N ATOM 0 H HIS A 20 -1.195 0.574 13.621 1.00 0.00 H new ATOM 0 HA HIS A 20 0.754 -1.525 12.953 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.111 -1.460 13.928 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.451 -2.911 13.199 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.123 -2.182 16.574 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.930 -3.401 16.860 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.216 -2.980 18.163 1.00 0.00 H new ATOM 191 N PRO A 21 -0.134 -2.198 10.654 1.00 0.00 N ATOM 192 CA PRO A 21 -0.470 -2.387 9.240 1.00 0.00 C ATOM 193 C PRO A 21 -1.866 -2.970 9.053 1.00 0.00 C ATOM 194 O PRO A 21 -2.544 -3.306 10.024 1.00 0.00 O ATOM 195 CB PRO A 21 0.591 -3.374 8.752 1.00 0.00 C ATOM 196 CG PRO A 21 0.986 -4.135 9.970 1.00 0.00 C ATOM 197 CD PRO A 21 0.879 -3.167 11.117 1.00 0.00 C ATOM 0 HA PRO A 21 -0.478 -1.445 8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.193 -4.036 7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.444 -2.855 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.333 -4.994 10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.002 -4.520 9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.568 -3.665 12.035 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.833 -2.683 11.324 1.00 0.00 H new ATOM 205 N ILE A 22 -2.290 -3.089 7.800 1.00 0.00 N ATOM 206 CA ILE A 22 -3.604 -3.635 7.491 1.00 0.00 C ATOM 207 C ILE A 22 -3.623 -5.147 7.672 1.00 0.00 C ATOM 208 O ILE A 22 -4.559 -5.711 8.235 1.00 0.00 O ATOM 209 CB ILE A 22 -4.034 -3.291 6.040 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.473 -2.768 6.025 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.898 -4.500 5.108 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.686 -1.549 6.898 1.00 0.00 C ATOM 0 H ILE A 22 -1.743 -2.815 6.984 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.309 -3.179 8.186 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.366 -2.513 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.751 -2.523 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.142 -3.562 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.208 -4.220 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.859 -4.830 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.530 -5.311 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.728 -1.235 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.441 -1.794 7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.043 -0.739 6.555 1.00 0.00 H new ATOM 224 N SER A 23 -2.590 -5.795 7.159 1.00 0.00 N ATOM 225 CA SER A 23 -2.491 -7.238 7.226 1.00 0.00 C ATOM 226 C SER A 23 -1.189 -7.716 6.608 1.00 0.00 C ATOM 227 O SER A 23 -0.284 -6.928 6.333 1.00 0.00 O ATOM 228 CB SER A 23 -3.677 -7.871 6.490 1.00 0.00 C ATOM 229 OG SER A 23 -3.562 -7.693 5.090 1.00 0.00 O ATOM 0 H SER A 23 -1.807 -5.340 6.690 1.00 0.00 H new ATOM 0 HA SER A 23 -2.508 -7.540 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.727 -8.935 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.607 -7.425 6.841 1.00 0.00 H new ATOM 0 HG SER A 23 -4.330 -8.107 4.643 1.00 0.00 H new ATOM 235 N MET A 24 -1.115 -9.013 6.390 1.00 0.00 N ATOM 236 CA MET A 24 0.066 -9.629 5.795 1.00 0.00 C ATOM 237 C MET A 24 -0.317 -10.469 4.583 1.00 0.00 C ATOM 238 O MET A 24 -1.221 -11.301 4.656 1.00 0.00 O ATOM 239 CB MET A 24 0.791 -10.500 6.823 1.00 0.00 C ATOM 240 CG MET A 24 2.134 -11.022 6.339 1.00 0.00 C ATOM 241 SD MET A 24 2.004 -12.625 5.522 1.00 0.00 S ATOM 242 CE MET A 24 2.317 -13.732 6.896 1.00 0.00 C ATOM 0 H MET A 24 -1.862 -9.670 6.616 1.00 0.00 H new ATOM 0 HA MET A 24 0.736 -8.832 5.471 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.942 -9.922 7.735 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.155 -11.346 7.084 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.572 -10.301 5.648 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.814 -11.105 7.187 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.271 -14.764 6.549 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.306 -13.531 7.307 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.565 -13.575 7.669 1.00 0.00 H new ATOM 252 N ALA A 25 0.369 -10.246 3.466 1.00 0.00 N ATOM 253 CA ALA A 25 0.084 -10.988 2.247 1.00 0.00 C ATOM 254 C ALA A 25 1.356 -11.339 1.490 1.00 0.00 C ATOM 255 O ALA A 25 2.307 -10.559 1.450 1.00 0.00 O ATOM 256 CB ALA A 25 -0.864 -10.202 1.355 1.00 0.00 C ATOM 0 H ALA A 25 1.121 -9.562 3.382 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.396 -11.923 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.066 -10.772 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.798 -10.022 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.408 -9.248 1.090 1.00 0.00 H new ATOM 262 N VAL A 26 1.362 -12.526 0.894 1.00 0.00 N ATOM 263 CA VAL A 26 2.511 -12.998 0.136 1.00 0.00 C ATOM 264 C VAL A 26 2.313 -12.785 -1.360 1.00 0.00 C ATOM 265 O VAL A 26 1.188 -12.790 -1.855 1.00 0.00 O ATOM 266 CB VAL A 26 2.777 -14.491 0.398 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.083 -14.926 -0.250 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.792 -14.778 1.891 1.00 0.00 C ATOM 0 H VAL A 26 0.580 -13.180 0.922 1.00 0.00 H new ATOM 0 HA VAL A 26 3.370 -12.416 0.470 1.00 0.00 H new ATOM 0 HB VAL A 26 1.968 -15.067 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.252 -15.985 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.028 -14.762 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.906 -14.344 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.981 -15.839 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.578 -14.191 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.828 -14.510 2.323 1.00 0.00 H new ATOM 278 N ALA A 27 3.416 -12.599 -2.073 1.00 0.00 N ATOM 279 CA ALA A 27 3.369 -12.385 -3.513 1.00 0.00 C ATOM 280 C ALA A 27 2.831 -13.616 -4.234 1.00 0.00 C ATOM 281 O ALA A 27 3.389 -14.708 -4.121 1.00 0.00 O ATOM 282 CB ALA A 27 4.750 -12.025 -4.036 1.00 0.00 C ATOM 0 H ALA A 27 4.356 -12.592 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 27 2.690 -11.556 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.701 -11.868 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.096 -11.112 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.444 -12.837 -3.819 1.00 0.00 H new ATOM 288 N LEU A 28 1.747 -13.430 -4.979 1.00 0.00 N ATOM 289 CA LEU A 28 1.134 -14.523 -5.724 1.00 0.00 C ATOM 290 C LEU A 28 1.805 -14.707 -7.084 1.00 0.00 C ATOM 291 O LEU A 28 1.455 -15.615 -7.838 1.00 0.00 O ATOM 292 CB LEU A 28 -0.362 -14.258 -5.911 1.00 0.00 C ATOM 293 CG LEU A 28 -1.167 -15.436 -6.462 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.154 -16.601 -5.482 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.596 -15.006 -6.764 1.00 0.00 C ATOM 0 H LEU A 28 1.275 -12.532 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 28 1.268 -15.440 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.786 -13.966 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.483 -13.409 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.702 -15.767 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.732 -17.429 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.127 -16.924 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.594 -16.286 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.156 -15.855 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.070 -14.649 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.586 -14.206 -7.504 1.00 0.00 H new ATOM 307 N GLN A 29 2.776 -13.845 -7.392 1.00 0.00 N ATOM 308 CA GLN A 29 3.502 -13.909 -8.651 1.00 0.00 C ATOM 309 C GLN A 29 4.345 -12.657 -8.856 1.00 0.00 C ATOM 310 O GLN A 29 4.275 -11.710 -8.071 1.00 0.00 O ATOM 311 CB GLN A 29 2.543 -14.087 -9.833 1.00 0.00 C ATOM 312 CG GLN A 29 1.380 -13.110 -9.824 1.00 0.00 C ATOM 313 CD GLN A 29 0.279 -13.506 -10.788 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.720 -14.108 -10.394 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.458 -13.171 -12.060 1.00 0.00 N ATOM 0 H GLN A 29 3.076 -13.089 -6.776 1.00 0.00 H new ATOM 0 HA GLN A 29 4.162 -14.775 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.099 -13.968 -10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.152 -15.104 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.970 -13.048 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.744 -12.115 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.302 -12.672 -12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.248 -13.412 -12.755 1.00 0.00 H new ATOM 324 N ASP A 30 5.139 -12.660 -9.918 1.00 0.00 N ATOM 325 CA ASP A 30 6.000 -11.527 -10.237 1.00 0.00 C ATOM 326 C ASP A 30 5.188 -10.386 -10.841 1.00 0.00 C ATOM 327 O ASP A 30 4.226 -10.617 -11.571 1.00 0.00 O ATOM 328 CB ASP A 30 7.103 -11.952 -11.209 1.00 0.00 C ATOM 329 CG ASP A 30 8.081 -10.833 -11.502 1.00 0.00 C ATOM 330 OD1 ASP A 30 9.012 -10.631 -10.693 1.00 0.00 O ATOM 331 OD2 ASP A 30 7.918 -10.158 -12.540 1.00 0.00 O ATOM 0 H ASP A 30 5.205 -13.437 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 30 6.458 -11.178 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.643 -12.802 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.651 -12.289 -12.142 1.00 0.00 H new ATOM 336 N TYR A 31 5.577 -9.153 -10.528 1.00 0.00 N ATOM 337 CA TYR A 31 4.871 -7.983 -11.043 1.00 0.00 C ATOM 338 C TYR A 31 5.736 -6.725 -10.951 1.00 0.00 C ATOM 339 O TYR A 31 5.733 -6.029 -9.935 1.00 0.00 O ATOM 340 CB TYR A 31 3.556 -7.789 -10.278 1.00 0.00 C ATOM 341 CG TYR A 31 2.950 -6.408 -10.418 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.269 -6.038 -11.570 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.063 -5.476 -9.394 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.716 -4.778 -11.698 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.512 -4.215 -9.514 1.00 0.00 C ATOM 346 CZ TYR A 31 1.840 -3.870 -10.668 1.00 0.00 C ATOM 347 OH TYR A 31 1.291 -2.615 -10.790 1.00 0.00 O ATOM 0 H TYR A 31 6.371 -8.939 -9.925 1.00 0.00 H new ATOM 0 HA TYR A 31 4.650 -8.154 -12.097 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.834 -8.527 -10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.731 -7.990 -9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.170 -6.746 -12.379 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.590 -5.742 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.189 -4.506 -12.601 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.607 -3.503 -8.708 1.00 0.00 H new ATOM 0 HH TYR A 31 1.468 -2.100 -9.975 1.00 0.00 H new ATOM 357 N MET A 32 6.476 -6.442 -12.020 1.00 0.00 N ATOM 358 CA MET A 32 7.342 -5.288 -12.074 1.00 0.00 C ATOM 359 C MET A 32 6.539 -3.991 -12.031 1.00 0.00 C ATOM 360 O MET A 32 5.567 -3.827 -12.770 1.00 0.00 O ATOM 361 CB MET A 32 8.202 -5.329 -13.339 1.00 0.00 C ATOM 362 CG MET A 32 7.390 -5.402 -14.624 1.00 0.00 C ATOM 363 SD MET A 32 7.770 -6.866 -15.607 1.00 0.00 S ATOM 364 CE MET A 32 6.430 -7.953 -15.128 1.00 0.00 C ATOM 0 H MET A 32 6.486 -7.010 -12.867 1.00 0.00 H new ATOM 0 HA MET A 32 7.991 -5.315 -11.199 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.834 -4.441 -13.368 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.866 -6.192 -13.289 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.328 -5.400 -14.378 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.581 -4.510 -15.220 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.202 -8.633 -15.949 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.724 -8.529 -14.251 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.546 -7.360 -14.893 1.00 0.00 H new ATOM 374 N ALA A 33 6.949 -3.075 -11.155 1.00 0.00 N ATOM 375 CA ALA A 33 6.282 -1.793 -10.992 1.00 0.00 C ATOM 376 C ALA A 33 5.853 -1.195 -12.333 1.00 0.00 C ATOM 377 O ALA A 33 6.384 -1.560 -13.382 1.00 0.00 O ATOM 378 CB ALA A 33 7.189 -0.823 -10.251 1.00 0.00 C ATOM 0 H ALA A 33 7.753 -3.205 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 33 5.378 -1.965 -10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.680 0.134 -10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.430 -1.228 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.108 -0.678 -10.819 1.00 0.00 H new ATOM 384 N PRO A 34 4.882 -0.265 -12.315 1.00 0.00 N ATOM 385 CA PRO A 34 4.387 0.380 -13.533 1.00 0.00 C ATOM 386 C PRO A 34 5.402 1.348 -14.132 1.00 0.00 C ATOM 387 O PRO A 34 5.666 1.318 -15.334 1.00 0.00 O ATOM 388 CB PRO A 34 3.144 1.133 -13.058 1.00 0.00 C ATOM 389 CG PRO A 34 3.386 1.394 -11.612 1.00 0.00 C ATOM 390 CD PRO A 34 4.194 0.228 -11.106 1.00 0.00 C ATOM 0 HA PRO A 34 4.186 -0.344 -14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.010 2.063 -13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.241 0.540 -13.207 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.924 2.331 -11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.445 1.481 -11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.903 0.535 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.558 -0.540 -10.665 1.00 0.00 H new ATOM 398 N ASP A 35 5.967 2.207 -13.288 1.00 0.00 N ATOM 399 CA ASP A 35 6.954 3.185 -13.738 1.00 0.00 C ATOM 400 C ASP A 35 7.442 4.044 -12.573 1.00 0.00 C ATOM 401 O ASP A 35 7.228 3.708 -11.409 1.00 0.00 O ATOM 402 CB ASP A 35 6.357 4.074 -14.832 1.00 0.00 C ATOM 403 CG ASP A 35 7.346 4.359 -15.946 1.00 0.00 C ATOM 404 OD1 ASP A 35 7.557 3.468 -16.795 1.00 0.00 O ATOM 405 OD2 ASP A 35 7.908 5.474 -15.969 1.00 0.00 O ATOM 0 H ASP A 35 5.759 2.246 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 35 7.808 2.643 -14.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.474 3.590 -15.249 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.027 5.015 -14.392 1.00 0.00 H new ATOM 410 N CYS A 36 8.099 5.154 -12.898 1.00 0.00 N ATOM 411 CA CYS A 36 8.620 6.066 -11.885 1.00 0.00 C ATOM 412 C CYS A 36 9.701 5.389 -11.042 1.00 0.00 C ATOM 413 O CYS A 36 10.893 5.560 -11.298 1.00 0.00 O ATOM 414 CB CYS A 36 7.486 6.578 -10.990 1.00 0.00 C ATOM 415 SG CYS A 36 8.036 7.678 -9.645 1.00 0.00 S ATOM 0 H CYS A 36 8.283 5.444 -13.858 1.00 0.00 H new ATOM 0 HA CYS A 36 9.072 6.916 -12.396 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.763 7.111 -11.608 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.966 5.724 -10.556 1.00 0.00 H new ATOM 0 HG CYS A 36 7.007 8.059 -8.948 1.00 0.00 H new ATOM 420 N ARG A 37 9.283 4.623 -10.038 1.00 0.00 N ATOM 421 CA ARG A 37 10.223 3.927 -9.164 1.00 0.00 C ATOM 422 C ARG A 37 9.488 3.168 -8.062 1.00 0.00 C ATOM 423 O ARG A 37 9.929 3.137 -6.914 1.00 0.00 O ATOM 424 CB ARG A 37 11.214 4.922 -8.548 1.00 0.00 C ATOM 425 CG ARG A 37 12.667 4.599 -8.851 1.00 0.00 C ATOM 426 CD ARG A 37 13.572 4.952 -7.682 1.00 0.00 C ATOM 427 NE ARG A 37 13.638 3.877 -6.695 1.00 0.00 N ATOM 428 CZ ARG A 37 14.364 2.772 -6.850 1.00 0.00 C ATOM 429 NH1 ARG A 37 15.088 2.594 -7.948 1.00 0.00 N ATOM 430 NH2 ARG A 37 14.370 1.843 -5.903 1.00 0.00 N ATOM 0 H ARG A 37 8.301 4.469 -9.810 1.00 0.00 H new ATOM 0 HA ARG A 37 10.773 3.205 -9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.988 5.922 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.072 4.941 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.765 3.538 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.985 5.147 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.575 5.166 -8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.208 5.861 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 37 13.096 3.979 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.090 3.306 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.642 1.745 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.818 1.975 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.926 0.997 -6.022 1.00 0.00 H new ATOM 444 N PHE A 38 8.364 2.554 -8.420 1.00 0.00 N ATOM 445 CA PHE A 38 7.571 1.795 -7.461 1.00 0.00 C ATOM 446 C PHE A 38 8.237 0.461 -7.139 1.00 0.00 C ATOM 447 O PHE A 38 9.154 0.029 -7.837 1.00 0.00 O ATOM 448 CB PHE A 38 6.162 1.558 -8.007 1.00 0.00 C ATOM 449 CG PHE A 38 5.359 2.817 -8.162 1.00 0.00 C ATOM 450 CD1 PHE A 38 4.865 3.482 -7.051 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.099 3.337 -9.419 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.127 4.642 -7.191 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.360 4.496 -9.567 1.00 0.00 C ATOM 454 CZ PHE A 38 3.874 5.149 -8.451 1.00 0.00 C ATOM 0 H PHE A 38 7.983 2.568 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 38 7.503 2.377 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.235 1.062 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.632 0.879 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.059 3.089 -6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.478 2.831 -10.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.749 5.151 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.163 4.890 -10.553 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.297 6.055 -8.563 1.00 0.00 H new ATOM 464 N LEU A 39 7.768 -0.188 -6.078 1.00 0.00 N ATOM 465 CA LEU A 39 8.319 -1.473 -5.663 1.00 0.00 C ATOM 466 C LEU A 39 7.626 -2.621 -6.389 1.00 0.00 C ATOM 467 O LEU A 39 6.399 -2.724 -6.383 1.00 0.00 O ATOM 468 CB LEU A 39 8.172 -1.648 -4.150 1.00 0.00 C ATOM 469 CG LEU A 39 9.136 -2.654 -3.519 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.571 -2.167 -3.635 1.00 0.00 C ATOM 471 CD2 LEU A 39 8.768 -2.896 -2.064 1.00 0.00 C ATOM 0 H LEU A 39 7.008 0.155 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 39 9.377 -1.489 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.317 -0.679 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.151 -1.961 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 39 9.053 -3.598 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.241 -2.897 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.829 -2.043 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.673 -1.211 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.462 -3.614 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.824 -1.957 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.754 -3.291 -2.006 1.00 0.00 H new ATOM 483 N THR A 40 8.419 -3.482 -7.018 1.00 0.00 N ATOM 484 CA THR A 40 7.882 -4.621 -7.753 1.00 0.00 C ATOM 485 C THR A 40 7.552 -5.777 -6.818 1.00 0.00 C ATOM 486 O THR A 40 7.915 -5.767 -5.643 1.00 0.00 O ATOM 487 CB THR A 40 8.879 -5.091 -8.811 1.00 0.00 C ATOM 488 OG1 THR A 40 8.448 -6.307 -9.396 1.00 0.00 O ATOM 489 CG2 THR A 40 10.271 -5.317 -8.269 1.00 0.00 C ATOM 0 H THR A 40 9.437 -3.412 -7.033 1.00 0.00 H new ATOM 0 HA THR A 40 6.963 -4.295 -8.239 1.00 0.00 H new ATOM 0 HB THR A 40 8.920 -4.286 -9.545 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.166 -6.675 -9.952 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.926 -5.649 -9.075 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.654 -4.386 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.239 -6.079 -7.490 1.00 0.00 H new ATOM 497 N ILE A 41 6.869 -6.779 -7.361 1.00 0.00 N ATOM 498 CA ILE A 41 6.493 -7.959 -6.595 1.00 0.00 C ATOM 499 C ILE A 41 7.095 -9.212 -7.219 1.00 0.00 C ATOM 500 O ILE A 41 7.189 -9.320 -8.441 1.00 0.00 O ATOM 501 CB ILE A 41 4.961 -8.117 -6.521 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.314 -6.826 -6.014 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.588 -9.294 -5.629 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.570 -6.552 -4.546 1.00 0.00 C ATOM 0 H ILE A 41 6.564 -6.796 -8.334 1.00 0.00 H new ATOM 0 HA ILE A 41 6.880 -7.829 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 41 4.585 -8.317 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.688 -5.988 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.238 -6.879 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.503 -9.390 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.019 -10.209 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.975 -9.126 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.081 -5.621 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.171 -7.371 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.643 -6.466 -4.374 1.00 0.00 H new ATOM 516 N HIS A 42 7.508 -10.154 -6.378 1.00 0.00 N ATOM 517 CA HIS A 42 8.104 -11.394 -6.863 1.00 0.00 C ATOM 518 C HIS A 42 7.562 -12.597 -6.097 1.00 0.00 C ATOM 519 O HIS A 42 7.295 -12.513 -4.898 1.00 0.00 O ATOM 520 CB HIS A 42 9.628 -11.337 -6.732 1.00 0.00 C ATOM 521 CG HIS A 42 10.324 -12.514 -7.339 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.796 -12.523 -8.636 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.630 -13.727 -6.822 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.362 -13.690 -8.888 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.274 -14.438 -7.804 1.00 0.00 N ATOM 0 H HIS A 42 7.442 -10.084 -5.363 1.00 0.00 H new ATOM 0 HA HIS A 42 7.839 -11.507 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.992 -10.426 -7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.892 -11.274 -5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.409 -14.071 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.819 -13.982 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.627 -15.390 -7.711 1.00 0.00 H new ATOM 534 N ARG A 43 7.396 -13.715 -6.801 1.00 0.00 N ATOM 535 CA ARG A 43 6.880 -14.942 -6.201 1.00 0.00 C ATOM 536 C ARG A 43 7.520 -15.228 -4.846 1.00 0.00 C ATOM 537 O ARG A 43 8.597 -14.723 -4.531 1.00 0.00 O ATOM 538 CB ARG A 43 7.121 -16.131 -7.134 1.00 0.00 C ATOM 539 CG ARG A 43 5.925 -16.485 -8.001 1.00 0.00 C ATOM 540 CD ARG A 43 4.678 -16.734 -7.168 1.00 0.00 C ATOM 541 NE ARG A 43 4.810 -17.921 -6.325 1.00 0.00 N ATOM 542 CZ ARG A 43 3.997 -18.205 -5.311 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.995 -17.392 -5.007 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.187 -19.308 -4.599 1.00 0.00 N ATOM 0 H ARG A 43 7.613 -13.795 -7.794 1.00 0.00 H new ATOM 0 HA ARG A 43 5.810 -14.799 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.971 -15.908 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.394 -17.000 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.735 -15.676 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.153 -17.374 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.481 -15.864 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.819 -16.852 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 43 5.571 -18.570 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.844 -16.543 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.375 -17.615 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.956 -19.937 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.564 -19.527 -3.821 1.00 0.00 H new ATOM 558 N GLY A 44 6.841 -16.060 -4.060 1.00 0.00 N ATOM 559 CA GLY A 44 7.334 -16.437 -2.742 1.00 0.00 C ATOM 560 C GLY A 44 7.934 -15.278 -1.965 1.00 0.00 C ATOM 561 O GLY A 44 9.029 -15.394 -1.416 1.00 0.00 O ATOM 0 H GLY A 44 5.949 -16.484 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.514 -16.865 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.087 -17.217 -2.854 1.00 0.00 H new ATOM 565 N GLN A 45 7.216 -14.162 -1.913 1.00 0.00 N ATOM 566 CA GLN A 45 7.689 -12.986 -1.191 1.00 0.00 C ATOM 567 C GLN A 45 6.580 -12.394 -0.329 1.00 0.00 C ATOM 568 O GLN A 45 5.598 -11.861 -0.845 1.00 0.00 O ATOM 569 CB GLN A 45 8.205 -11.933 -2.174 1.00 0.00 C ATOM 570 CG GLN A 45 9.299 -11.049 -1.598 1.00 0.00 C ATOM 571 CD GLN A 45 10.011 -10.236 -2.660 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.555 -10.149 -3.801 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.136 -9.634 -2.290 1.00 0.00 N ATOM 0 H GLN A 45 6.307 -14.046 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 45 8.505 -13.295 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.585 -12.434 -3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.372 -11.306 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.865 -10.375 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.025 -11.671 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.477 -9.733 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.659 -9.072 -2.962 1.00 0.00 H new ATOM 582 N VAL A 46 6.744 -12.483 0.989 1.00 0.00 N ATOM 583 CA VAL A 46 5.758 -11.949 1.915 1.00 0.00 C ATOM 584 C VAL A 46 5.758 -10.425 1.882 1.00 0.00 C ATOM 585 O VAL A 46 6.763 -9.804 1.537 1.00 0.00 O ATOM 586 CB VAL A 46 6.022 -12.430 3.353 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.970 -11.885 4.309 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.066 -13.949 3.406 1.00 0.00 C ATOM 0 H VAL A 46 7.550 -12.920 1.436 1.00 0.00 H new ATOM 0 HA VAL A 46 4.782 -12.317 1.598 1.00 0.00 H new ATOM 0 HB VAL A 46 6.993 -12.048 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.178 -12.239 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.994 -10.795 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.983 -12.230 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.254 -14.272 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.112 -14.353 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.864 -14.313 2.759 1.00 0.00 H new ATOM 598 N VAL A 47 4.626 -9.826 2.239 1.00 0.00 N ATOM 599 CA VAL A 47 4.496 -8.390 2.245 1.00 0.00 C ATOM 600 C VAL A 47 3.499 -7.928 3.305 1.00 0.00 C ATOM 601 O VAL A 47 2.558 -8.645 3.642 1.00 0.00 O ATOM 602 CB VAL A 47 4.052 -7.852 0.868 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.375 -6.375 0.718 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.679 -8.656 -0.262 1.00 0.00 C ATOM 0 H VAL A 47 3.785 -10.326 2.528 1.00 0.00 H new ATOM 0 HA VAL A 47 5.483 -7.990 2.479 1.00 0.00 H new ATOM 0 HB VAL A 47 2.970 -7.965 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.049 -6.029 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.858 -5.809 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.450 -6.226 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.349 -8.255 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.765 -8.591 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.373 -9.699 -0.180 1.00 0.00 H new ATOM 614 N TYR A 48 3.713 -6.722 3.822 1.00 0.00 N ATOM 615 CA TYR A 48 2.835 -6.155 4.839 1.00 0.00 C ATOM 616 C TYR A 48 2.264 -4.820 4.372 1.00 0.00 C ATOM 617 O TYR A 48 2.995 -3.841 4.219 1.00 0.00 O ATOM 618 CB TYR A 48 3.598 -5.966 6.150 1.00 0.00 C ATOM 619 CG TYR A 48 4.016 -7.266 6.799 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.215 -7.879 6.458 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.212 -7.880 7.751 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.600 -9.069 7.047 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.591 -9.069 8.345 1.00 0.00 C ATOM 624 CZ TYR A 48 4.786 -9.659 7.990 1.00 0.00 C ATOM 625 OH TYR A 48 5.166 -10.843 8.578 1.00 0.00 O ATOM 0 H TYR A 48 4.489 -6.117 3.552 1.00 0.00 H new ATOM 0 HA TYR A 48 2.010 -6.848 5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.485 -5.362 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.974 -5.406 6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.857 -7.419 5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.276 -7.421 8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.534 -9.534 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.955 -9.534 9.083 1.00 0.00 H new ATOM 0 HH TYR A 48 4.481 -11.124 9.221 1.00 0.00 H new ATOM 635 N VAL A 49 0.955 -4.787 4.144 1.00 0.00 N ATOM 636 CA VAL A 49 0.289 -3.571 3.693 1.00 0.00 C ATOM 637 C VAL A 49 0.020 -2.624 4.857 1.00 0.00 C ATOM 638 O VAL A 49 -0.523 -3.027 5.886 1.00 0.00 O ATOM 639 CB VAL A 49 -1.041 -3.887 2.983 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.632 -2.629 2.365 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.839 -4.965 1.929 1.00 0.00 C ATOM 0 H VAL A 49 0.335 -5.588 4.264 1.00 0.00 H new ATOM 0 HA VAL A 49 0.963 -3.088 2.986 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.747 -4.263 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.571 -2.874 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.816 -1.892 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.933 -2.218 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.789 -5.176 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.116 -4.620 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.467 -5.873 2.404 1.00 0.00 H new ATOM 651 N PHE A 50 0.407 -1.364 4.688 1.00 0.00 N ATOM 652 CA PHE A 50 0.209 -0.357 5.724 1.00 0.00 C ATOM 653 C PHE A 50 -0.842 0.666 5.300 1.00 0.00 C ATOM 654 O PHE A 50 -1.506 1.269 6.142 1.00 0.00 O ATOM 655 CB PHE A 50 1.528 0.353 6.035 1.00 0.00 C ATOM 656 CG PHE A 50 2.470 -0.467 6.870 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.850 -1.736 6.463 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.977 0.031 8.060 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.717 -2.493 7.228 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.844 -0.722 8.829 1.00 0.00 C ATOM 661 CZ PHE A 50 4.214 -1.986 8.412 1.00 0.00 C ATOM 0 H PHE A 50 0.860 -1.016 3.843 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.145 -0.864 6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.020 0.614 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.314 1.287 6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.464 -2.138 5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.691 1.019 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.006 -3.481 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.232 -0.323 9.755 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.891 -2.577 9.011 1.00 0.00 H new ATOM 671 N SER A 51 -0.985 0.859 3.992 1.00 0.00 N ATOM 672 CA SER A 51 -1.954 1.813 3.466 1.00 0.00 C ATOM 673 C SER A 51 -2.793 1.184 2.357 1.00 0.00 C ATOM 674 O SER A 51 -2.293 0.388 1.563 1.00 0.00 O ATOM 675 CB SER A 51 -1.239 3.058 2.938 1.00 0.00 C ATOM 676 OG SER A 51 -1.874 4.242 3.391 1.00 0.00 O ATOM 0 H SER A 51 -0.444 0.369 3.280 1.00 0.00 H new ATOM 0 HA SER A 51 -2.620 2.102 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.200 3.051 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.229 3.041 1.848 1.00 0.00 H new ATOM 0 HG SER A 51 -1.397 5.023 3.041 1.00 0.00 H new ATOM 682 N LYS A 52 -4.070 1.549 2.310 1.00 0.00 N ATOM 683 CA LYS A 52 -4.979 1.022 1.299 1.00 0.00 C ATOM 684 C LYS A 52 -5.880 2.124 0.750 1.00 0.00 C ATOM 685 O LYS A 52 -7.002 2.313 1.220 1.00 0.00 O ATOM 686 CB LYS A 52 -5.831 -0.103 1.888 1.00 0.00 C ATOM 687 CG LYS A 52 -6.705 -0.804 0.862 1.00 0.00 C ATOM 688 CD LYS A 52 -8.003 -1.299 1.479 1.00 0.00 C ATOM 689 CE LYS A 52 -8.990 -0.160 1.687 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.470 0.401 0.394 1.00 0.00 N ATOM 0 H LYS A 52 -4.499 2.208 2.960 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.381 0.625 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.175 -0.837 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.465 0.306 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.928 -0.119 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.161 -1.646 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.449 -2.055 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.793 -1.779 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.841 -0.518 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.516 0.629 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.442 0.752 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.851 1.185 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.453 -0.341 -0.334 1.00 0.00 H new ATOM 704 N LEU A 53 -5.383 2.848 -0.247 1.00 0.00 N ATOM 705 CA LEU A 53 -6.143 3.931 -0.860 1.00 0.00 C ATOM 706 C LEU A 53 -7.360 3.386 -1.600 1.00 0.00 C ATOM 707 O LEU A 53 -7.508 2.175 -1.763 1.00 0.00 O ATOM 708 CB LEU A 53 -5.256 4.721 -1.824 1.00 0.00 C ATOM 709 CG LEU A 53 -5.668 6.181 -2.037 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.453 7.094 -1.979 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.394 6.342 -3.364 1.00 0.00 C ATOM 0 H LEU A 53 -4.456 2.704 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.488 4.596 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.232 4.699 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.255 4.215 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.349 6.466 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.766 8.127 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.974 7.001 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.746 6.809 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.679 7.385 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.736 6.038 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.288 5.718 -3.368 1.00 0.00 H new ATOM 723 N LYS A 54 -8.230 4.288 -2.045 1.00 0.00 N ATOM 724 CA LYS A 54 -9.433 3.897 -2.770 1.00 0.00 C ATOM 725 C LYS A 54 -9.843 4.984 -3.763 1.00 0.00 C ATOM 726 O LYS A 54 -9.030 5.830 -4.136 1.00 0.00 O ATOM 727 CB LYS A 54 -10.573 3.608 -1.789 1.00 0.00 C ATOM 728 CG LYS A 54 -11.101 4.844 -1.078 1.00 0.00 C ATOM 729 CD LYS A 54 -12.479 4.597 -0.483 1.00 0.00 C ATOM 730 CE LYS A 54 -12.653 5.324 0.842 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.862 6.194 0.842 1.00 0.00 N ATOM 0 H LYS A 54 -8.124 5.294 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.217 2.988 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.392 3.133 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.226 2.893 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.409 5.134 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.150 5.676 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.244 4.929 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.626 3.527 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.730 4.595 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.769 5.930 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.946 6.672 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.778 6.906 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.708 5.613 0.676 1.00 0.00 H new ATOM 745 N GLY A 55 -11.103 4.955 -4.196 1.00 0.00 N ATOM 746 CA GLY A 55 -11.577 5.943 -5.149 1.00 0.00 C ATOM 747 C GLY A 55 -10.754 5.942 -6.419 1.00 0.00 C ATOM 748 O GLY A 55 -9.877 6.786 -6.600 1.00 0.00 O ATOM 0 H GLY A 55 -11.799 4.269 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.620 5.742 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.541 6.933 -4.694 1.00 0.00 H new ATOM 752 N ARG A 56 -11.025 4.976 -7.291 1.00 0.00 N ATOM 753 CA ARG A 56 -10.290 4.849 -8.545 1.00 0.00 C ATOM 754 C ARG A 56 -8.816 4.550 -8.278 1.00 0.00 C ATOM 755 O ARG A 56 -7.973 4.698 -9.163 1.00 0.00 O ATOM 756 CB ARG A 56 -10.426 6.125 -9.381 1.00 0.00 C ATOM 757 CG ARG A 56 -11.731 6.206 -10.155 1.00 0.00 C ATOM 758 CD ARG A 56 -12.813 6.910 -9.351 1.00 0.00 C ATOM 759 NE ARG A 56 -14.118 6.829 -10.002 1.00 0.00 N ATOM 760 CZ ARG A 56 -14.478 7.583 -11.039 1.00 0.00 C ATOM 761 NH1 ARG A 56 -13.633 8.471 -11.547 1.00 0.00 N ATOM 762 NH2 ARG A 56 -15.684 7.446 -11.571 1.00 0.00 N ATOM 0 H ARG A 56 -11.748 4.270 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.717 4.018 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.348 6.991 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.593 6.181 -10.082 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.567 6.739 -11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.065 5.201 -10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.875 6.464 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.540 7.956 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.793 6.155 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.703 8.579 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.914 9.046 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.337 6.763 -11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.960 8.024 -12.365 1.00 0.00 H new ATOM 776 N GLY A 57 -8.511 4.130 -7.050 1.00 0.00 N ATOM 777 CA GLY A 57 -7.140 3.818 -6.690 1.00 0.00 C ATOM 778 C GLY A 57 -7.023 2.589 -5.801 1.00 0.00 C ATOM 779 O GLY A 57 -5.920 2.197 -5.425 1.00 0.00 O ATOM 0 H GLY A 57 -9.190 4.001 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.559 3.659 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.701 4.674 -6.177 1.00 0.00 H new ATOM 783 N ARG A 58 -8.160 1.976 -5.463 1.00 0.00 N ATOM 784 CA ARG A 58 -8.170 0.789 -4.616 1.00 0.00 C ATOM 785 C ARG A 58 -7.180 -0.261 -5.115 1.00 0.00 C ATOM 786 O ARG A 58 -6.708 -1.096 -4.345 1.00 0.00 O ATOM 787 CB ARG A 58 -9.577 0.193 -4.559 1.00 0.00 C ATOM 788 CG ARG A 58 -9.854 -0.592 -3.286 1.00 0.00 C ATOM 789 CD ARG A 58 -9.710 -2.090 -3.509 1.00 0.00 C ATOM 790 NE ARG A 58 -10.723 -2.610 -4.426 1.00 0.00 N ATOM 791 CZ ARG A 58 -10.513 -2.840 -5.722 1.00 0.00 C ATOM 792 NH1 ARG A 58 -9.329 -2.593 -6.270 1.00 0.00 N ATOM 793 NH2 ARG A 58 -11.494 -3.319 -6.474 1.00 0.00 N ATOM 0 H ARG A 58 -9.084 2.285 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.865 1.092 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.307 0.998 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.720 -0.462 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.166 -0.272 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.862 -0.371 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.718 -2.303 -3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.788 -2.607 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.650 -2.810 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.569 -2.224 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.179 -2.773 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.407 -3.511 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.336 -3.496 -7.466 1.00 0.00 H new ATOM 807 N LEU A 59 -6.874 -0.218 -6.409 1.00 0.00 N ATOM 808 CA LEU A 59 -5.949 -1.164 -7.008 1.00 0.00 C ATOM 809 C LEU A 59 -4.496 -0.864 -6.631 1.00 0.00 C ATOM 810 O LEU A 59 -3.583 -1.562 -7.069 1.00 0.00 O ATOM 811 CB LEU A 59 -6.100 -1.160 -8.532 1.00 0.00 C ATOM 812 CG LEU A 59 -6.304 0.222 -9.161 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.415 0.391 -10.383 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.765 0.429 -9.530 1.00 0.00 C ATOM 0 H LEU A 59 -7.257 0.466 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.197 -2.151 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.212 -1.614 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.947 -1.792 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.024 0.978 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.575 1.379 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.370 0.288 -10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.662 -0.372 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.891 1.416 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.071 -0.334 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.381 0.354 -8.634 1.00 0.00 H new ATOM 826 N PHE A 60 -4.282 0.175 -5.824 1.00 0.00 N ATOM 827 CA PHE A 60 -2.935 0.547 -5.407 1.00 0.00 C ATOM 828 C PHE A 60 -2.800 0.511 -3.887 1.00 0.00 C ATOM 829 O PHE A 60 -3.010 1.517 -3.210 1.00 0.00 O ATOM 830 CB PHE A 60 -2.587 1.943 -5.932 1.00 0.00 C ATOM 831 CG PHE A 60 -1.408 1.958 -6.864 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.254 0.971 -7.826 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.454 2.960 -6.780 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.170 0.984 -8.684 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.631 2.978 -7.635 1.00 0.00 C ATOM 836 CZ PHE A 60 0.773 1.989 -8.588 1.00 0.00 C ATOM 0 H PHE A 60 -5.021 0.770 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.238 -0.178 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.454 2.354 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.380 2.599 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.989 0.184 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.560 3.736 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.061 0.209 -9.428 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.367 3.765 -7.558 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.620 2.001 -9.258 1.00 0.00 H new ATOM 846 N TRP A 61 -2.444 -0.656 -3.358 1.00 0.00 N ATOM 847 CA TRP A 61 -2.276 -0.825 -1.917 1.00 0.00 C ATOM 848 C TRP A 61 -0.847 -0.502 -1.495 1.00 0.00 C ATOM 849 O TRP A 61 0.109 -1.073 -2.021 1.00 0.00 O ATOM 850 CB TRP A 61 -2.620 -2.258 -1.504 1.00 0.00 C ATOM 851 CG TRP A 61 -4.079 -2.575 -1.607 1.00 0.00 C ATOM 852 CD1 TRP A 61 -4.964 -2.080 -2.520 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.826 -3.463 -0.767 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.211 -2.603 -2.301 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.154 -3.456 -1.230 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.500 -4.265 0.331 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.156 -4.218 -0.634 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.495 -5.020 0.923 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.808 -4.993 0.439 1.00 0.00 C ATOM 0 H TRP A 61 -2.266 -1.499 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 61 -2.955 -0.134 -1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.060 -2.953 -2.130 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.293 -2.420 -0.477 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.717 -1.377 -3.302 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.046 -2.392 -2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.489 -4.294 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.170 -4.198 -1.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.255 -5.641 1.773 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.562 -5.596 0.922 1.00 0.00 H new ATOM 870 N GLY A 62 -0.706 0.411 -0.540 1.00 0.00 N ATOM 871 CA GLY A 62 0.613 0.785 -0.062 1.00 0.00 C ATOM 872 C GLY A 62 1.119 -0.154 1.013 1.00 0.00 C ATOM 873 O GLY A 62 0.634 -0.129 2.146 1.00 0.00 O ATOM 0 H GLY A 62 -1.480 0.898 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.313 0.789 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.581 1.801 0.331 1.00 0.00 H new ATOM 877 N GLY A 63 2.088 -0.993 0.662 1.00 0.00 N ATOM 878 CA GLY A 63 2.632 -1.936 1.621 1.00 0.00 C ATOM 879 C GLY A 63 4.145 -1.998 1.600 1.00 0.00 C ATOM 880 O GLY A 63 4.809 -1.055 1.167 1.00 0.00 O ATOM 0 H GLY A 63 2.505 -1.037 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.299 -1.660 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.231 -2.928 1.414 1.00 0.00 H new ATOM 884 N SER A 64 4.687 -3.116 2.070 1.00 0.00 N ATOM 885 CA SER A 64 6.131 -3.316 2.110 1.00 0.00 C ATOM 886 C SER A 64 6.449 -4.803 2.148 1.00 0.00 C ATOM 887 O SER A 64 5.821 -5.557 2.890 1.00 0.00 O ATOM 888 CB SER A 64 6.734 -2.617 3.330 1.00 0.00 C ATOM 889 OG SER A 64 5.748 -2.372 4.318 1.00 0.00 O ATOM 0 H SER A 64 4.145 -3.901 2.430 1.00 0.00 H new ATOM 0 HA SER A 64 6.569 -2.882 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.529 -3.234 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.189 -1.675 3.025 1.00 0.00 H new ATOM 0 HG SER A 64 6.160 -1.926 5.087 1.00 0.00 H new ATOM 895 N VAL A 65 7.417 -5.229 1.348 1.00 0.00 N ATOM 896 CA VAL A 65 7.789 -6.615 1.300 1.00 0.00 C ATOM 897 C VAL A 65 8.571 -7.001 2.533 1.00 0.00 C ATOM 898 O VAL A 65 9.318 -6.206 3.104 1.00 0.00 O ATOM 899 CB VAL A 65 8.626 -6.961 0.053 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.792 -7.723 -0.966 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.248 -5.724 -0.582 1.00 0.00 C ATOM 0 H VAL A 65 7.953 -4.624 0.726 1.00 0.00 H new ATOM 0 HA VAL A 65 6.857 -7.179 1.253 1.00 0.00 H new ATOM 0 HB VAL A 65 9.443 -7.602 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.405 -7.956 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.429 -8.649 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.944 -7.111 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.828 -6.017 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.460 -5.034 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.902 -5.234 0.140 1.00 0.00 H new ATOM 911 N GLN A 66 8.376 -8.235 2.929 1.00 0.00 N ATOM 912 CA GLN A 66 9.040 -8.790 4.104 1.00 0.00 C ATOM 913 C GLN A 66 10.552 -8.597 4.026 1.00 0.00 C ATOM 914 O GLN A 66 11.118 -8.478 2.939 1.00 0.00 O ATOM 915 CB GLN A 66 8.715 -10.276 4.243 1.00 0.00 C ATOM 916 CG GLN A 66 9.200 -11.116 3.073 1.00 0.00 C ATOM 917 CD GLN A 66 9.825 -12.426 3.514 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.242 -13.496 3.337 1.00 0.00 O ATOM 919 NE2 GLN A 66 11.018 -12.347 4.092 1.00 0.00 N ATOM 0 H GLN A 66 7.755 -8.890 2.453 1.00 0.00 H new ATOM 0 HA GLN A 66 8.670 -8.257 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.164 -10.653 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.636 -10.396 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.362 -11.324 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.929 -10.545 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.464 -11.439 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.488 -13.195 4.410 1.00 0.00 H new ATOM 928 N GLY A 67 11.197 -8.570 5.186 1.00 0.00 N ATOM 929 CA GLY A 67 12.636 -8.393 5.232 1.00 0.00 C ATOM 930 C GLY A 67 13.216 -8.721 6.594 1.00 0.00 C ATOM 931 O GLY A 67 14.125 -8.041 7.071 1.00 0.00 O ATOM 0 H GLY A 67 10.748 -8.668 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.102 -9.029 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.881 -7.363 4.974 1.00 0.00 H new ATOM 1047 N ARG A 76 11.611 -0.372 1.788 1.00 0.00 N ATOM 1048 CA ARG A 76 10.924 0.725 1.116 1.00 0.00 C ATOM 1049 C ARG A 76 9.489 0.337 0.774 1.00 0.00 C ATOM 1050 O ARG A 76 9.247 -0.697 0.152 1.00 0.00 O ATOM 1051 CB ARG A 76 11.679 1.124 -0.155 1.00 0.00 C ATOM 1052 CG ARG A 76 12.368 2.474 -0.053 1.00 0.00 C ATOM 1053 CD ARG A 76 11.359 3.609 0.029 1.00 0.00 C ATOM 1054 NE ARG A 76 10.548 3.709 -1.183 1.00 0.00 N ATOM 1055 CZ ARG A 76 9.837 4.785 -1.512 1.00 0.00 C ATOM 1056 NH1 ARG A 76 9.834 5.854 -0.724 1.00 0.00 N ATOM 1057 NH2 ARG A 76 9.127 4.793 -2.631 1.00 0.00 N ATOM 0 HA ARG A 76 10.897 1.578 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.424 0.361 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.981 1.144 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.009 2.491 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.013 2.621 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.708 3.454 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.884 4.550 0.192 1.00 0.00 H new ATOM 0 HE ARG A 76 10.526 2.907 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.379 5.853 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.287 6.676 -0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.125 3.975 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.582 5.617 -2.883 1.00 0.00 H new ATOM 1071 N LEU A 77 8.541 1.174 1.183 1.00 0.00 N ATOM 1072 CA LEU A 77 7.130 0.918 0.919 1.00 0.00 C ATOM 1073 C LEU A 77 6.814 1.095 -0.564 1.00 0.00 C ATOM 1074 O LEU A 77 7.504 1.828 -1.271 1.00 0.00 O ATOM 1075 CB LEU A 77 6.253 1.852 1.754 1.00 0.00 C ATOM 1076 CG LEU A 77 6.673 2.000 3.217 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.693 2.889 3.966 1.00 0.00 C ATOM 1078 CD2 LEU A 77 6.774 0.636 3.883 1.00 0.00 C ATOM 0 H LEU A 77 8.724 2.035 1.698 1.00 0.00 H new ATOM 0 HA LEU A 77 6.916 -0.114 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.255 2.838 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.227 1.487 1.722 1.00 0.00 H new ATOM 0 HG LEU A 77 7.656 2.471 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.008 2.983 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.670 3.876 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.698 2.447 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.074 0.760 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.805 0.138 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.515 0.031 3.362 1.00 0.00 H new ATOM 1090 N GLY A 78 5.768 0.418 -1.025 1.00 0.00 N ATOM 1091 CA GLY A 78 5.380 0.515 -2.421 1.00 0.00 C ATOM 1092 C GLY A 78 3.898 0.269 -2.629 1.00 0.00 C ATOM 1093 O GLY A 78 3.282 -0.502 -1.896 1.00 0.00 O ATOM 0 H GLY A 78 5.182 -0.195 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.638 1.505 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.951 -0.207 -3.005 1.00 0.00 H new ATOM 1097 N TYR A 79 3.327 0.928 -3.632 1.00 0.00 N ATOM 1098 CA TYR A 79 1.909 0.777 -3.936 1.00 0.00 C ATOM 1099 C TYR A 79 1.700 -0.205 -5.085 1.00 0.00 C ATOM 1100 O TYR A 79 2.253 -0.030 -6.171 1.00 0.00 O ATOM 1101 CB TYR A 79 1.294 2.133 -4.290 1.00 0.00 C ATOM 1102 CG TYR A 79 1.294 3.116 -3.141 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.486 3.546 -2.571 1.00 0.00 C ATOM 1104 CD2 TYR A 79 0.103 3.615 -2.628 1.00 0.00 C ATOM 1105 CE1 TYR A 79 2.490 4.444 -1.520 1.00 0.00 C ATOM 1106 CE2 TYR A 79 0.100 4.514 -1.579 1.00 0.00 C ATOM 1107 CZ TYR A 79 1.296 4.926 -1.028 1.00 0.00 C ATOM 1108 OH TYR A 79 1.297 5.821 0.017 1.00 0.00 O ATOM 0 H TYR A 79 3.824 1.571 -4.248 1.00 0.00 H new ATOM 0 HA TYR A 79 1.413 0.382 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.844 2.565 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.269 1.981 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.424 3.173 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.835 3.295 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.425 4.767 -1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.834 4.893 -1.192 1.00 0.00 H new ATOM 0 HH TYR A 79 0.374 6.062 0.242 1.00 0.00 H new ATOM 1118 N PHE A 80 0.902 -1.238 -4.838 1.00 0.00 N ATOM 1119 CA PHE A 80 0.624 -2.248 -5.850 1.00 0.00 C ATOM 1120 C PHE A 80 -0.664 -3.003 -5.528 1.00 0.00 C ATOM 1121 O PHE A 80 -0.979 -3.242 -4.363 1.00 0.00 O ATOM 1122 CB PHE A 80 1.793 -3.229 -5.953 1.00 0.00 C ATOM 1123 CG PHE A 80 1.985 -4.064 -4.718 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.190 -5.175 -4.489 1.00 0.00 C ATOM 1125 CD2 PHE A 80 2.957 -3.735 -3.787 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.362 -5.945 -3.354 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.132 -4.500 -2.650 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.334 -5.606 -2.433 1.00 0.00 C ATOM 0 H PHE A 80 0.436 -1.397 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 80 0.496 -1.743 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.630 -3.888 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.708 -2.672 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.427 -5.443 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.584 -2.872 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.737 -6.810 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.893 -4.233 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.470 -6.205 -1.545 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.425 -3.397 -6.565 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.681 -4.134 -6.388 1.00 0.00 C ATOM 1140 C PRO A 81 -2.520 -5.339 -5.468 1.00 0.00 C ATOM 1141 O PRO A 81 -1.636 -6.172 -5.669 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.027 -4.592 -7.806 1.00 0.00 C ATOM 1143 CG PRO A 81 -2.363 -3.603 -8.701 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.117 -3.157 -7.985 1.00 0.00 C ATOM 0 HA PRO A 81 -3.451 -3.519 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.663 -5.602 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.105 -4.607 -7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.119 -4.052 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.020 -2.757 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.245 -3.726 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.900 -2.106 -8.176 1.00 0.00 H new ATOM 1152 N SER A 82 -3.380 -5.427 -4.458 1.00 0.00 N ATOM 1153 CA SER A 82 -3.332 -6.532 -3.510 1.00 0.00 C ATOM 1154 C SER A 82 -3.521 -7.868 -4.221 1.00 0.00 C ATOM 1155 O SER A 82 -2.965 -8.886 -3.810 1.00 0.00 O ATOM 1156 CB SER A 82 -4.406 -6.357 -2.434 1.00 0.00 C ATOM 1157 OG SER A 82 -4.666 -7.580 -1.765 1.00 0.00 O ATOM 0 H SER A 82 -4.118 -4.746 -4.276 1.00 0.00 H new ATOM 0 HA SER A 82 -2.350 -6.529 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.083 -5.606 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.324 -5.986 -2.890 1.00 0.00 H new ATOM 0 HG SER A 82 -5.355 -7.439 -1.082 1.00 0.00 H new ATOM 1163 N SER A 83 -4.308 -7.856 -5.293 1.00 0.00 N ATOM 1164 CA SER A 83 -4.575 -9.064 -6.065 1.00 0.00 C ATOM 1165 C SER A 83 -3.283 -9.803 -6.402 1.00 0.00 C ATOM 1166 O SER A 83 -3.280 -11.022 -6.573 1.00 0.00 O ATOM 1167 CB SER A 83 -5.325 -8.715 -7.352 1.00 0.00 C ATOM 1168 OG SER A 83 -5.773 -9.885 -8.015 1.00 0.00 O ATOM 0 H SER A 83 -4.773 -7.020 -5.647 1.00 0.00 H new ATOM 0 HA SER A 83 -5.194 -9.721 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.177 -8.077 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.672 -8.146 -8.014 1.00 0.00 H new ATOM 0 HG SER A 83 -6.250 -9.635 -8.833 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.185 -9.058 -6.495 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.893 -9.634 -6.808 1.00 0.00 C ATOM 1176 C ILE A 84 -0.385 -10.503 -5.661 1.00 0.00 C ATOM 1177 O ILE A 84 0.354 -11.464 -5.879 1.00 0.00 O ATOM 1178 CB ILE A 84 0.137 -8.529 -7.104 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.401 -7.570 -8.168 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.451 -9.138 -7.551 1.00 0.00 C ATOM 1181 CD1 ILE A 84 0.227 -6.194 -8.115 1.00 0.00 C ATOM 0 H ILE A 84 -2.171 -8.048 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.019 -10.257 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 84 0.313 -7.964 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.229 -8.001 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.480 -7.473 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.169 -8.344 -7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.840 -9.783 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.291 -9.725 -8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.202 -5.568 -8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.033 -5.743 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.303 -6.279 -8.267 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.783 -10.160 -4.440 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.366 -10.908 -3.259 1.00 0.00 C ATOM 1195 C VAL A 85 -1.564 -11.549 -2.562 1.00 0.00 C ATOM 1196 O VAL A 85 -2.664 -10.998 -2.563 1.00 0.00 O ATOM 1197 CB VAL A 85 0.372 -10.003 -2.254 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.655 -9.458 -2.864 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.531 -8.869 -1.792 1.00 0.00 C ATOM 0 H VAL A 85 -1.394 -9.368 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 85 0.313 -11.689 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 85 0.638 -10.602 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.161 -8.821 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.308 -10.286 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.416 -8.875 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.008 -8.241 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.832 -8.270 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.417 -9.283 -1.310 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.337 -12.712 -1.958 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.393 -13.426 -1.248 1.00 0.00 C ATOM 1211 C ARG A 86 -2.288 -13.184 0.254 1.00 0.00 C ATOM 1212 O ARG A 86 -1.346 -13.644 0.902 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.311 -14.925 -1.543 1.00 0.00 C ATOM 1214 CG ARG A 86 -2.902 -15.315 -2.887 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.420 -15.241 -2.872 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.972 -15.029 -4.207 1.00 0.00 N ATOM 1217 CZ ARG A 86 -6.274 -15.041 -4.482 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -7.161 -15.254 -3.518 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.691 -14.838 -5.724 1.00 0.00 N ATOM 0 H ARG A 86 -0.431 -13.180 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.355 -13.049 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.267 -15.236 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.831 -15.471 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.512 -14.655 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.589 -16.327 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.824 -16.164 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.737 -14.430 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.321 -14.862 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.846 -15.410 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.158 -15.262 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.014 -14.673 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.689 -14.847 -5.935 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.255 -12.458 0.802 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.265 -12.151 2.228 1.00 0.00 C ATOM 1235 C GLU A 87 -3.747 -13.346 3.041 1.00 0.00 C ATOM 1236 O GLU A 87 -4.779 -13.945 2.734 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.157 -10.939 2.508 1.00 0.00 C ATOM 1238 CG GLU A 87 -3.999 -9.817 1.494 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.301 -9.471 0.797 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.663 -10.176 -0.169 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.959 -8.497 1.219 1.00 0.00 O ATOM 0 H GLU A 87 -4.042 -12.071 0.281 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.243 -11.918 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.198 -11.261 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.930 -10.553 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.614 -8.930 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.259 -10.108 0.749 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.995 -13.685 4.083 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.345 -14.805 4.947 1.00 0.00 C ATOM 1250 C ASP A 88 -3.544 -14.336 6.380 1.00 0.00 C ATOM 1251 O ASP A 88 -4.524 -14.689 7.035 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.260 -15.883 4.888 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.822 -17.252 4.565 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.844 -17.633 5.172 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.238 -17.946 3.706 1.00 0.00 O ATOM 0 H ASP A 88 -2.139 -13.199 4.349 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.283 -15.232 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.521 -15.610 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.740 -15.924 5.845 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.601 -13.543 6.854 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.641 -13.015 8.200 1.00 0.00 C ATOM 1262 C GLN A 89 -3.060 -11.551 8.187 1.00 0.00 C ATOM 1263 O GLN A 89 -2.801 -10.836 7.220 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.261 -13.160 8.816 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.243 -13.040 10.331 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.297 -14.030 10.982 1.00 0.00 C ATOM 1267 OE1 GLN A 89 0.921 -13.854 10.952 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -0.855 -15.078 11.577 1.00 0.00 N ATOM 0 H GLN A 89 -1.787 -13.248 6.315 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.372 -13.568 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.849 -14.129 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.604 -12.399 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.951 -12.027 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.250 -13.198 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.869 -15.184 11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.269 -15.777 12.034 1.00 0.00 H new ATOM 1277 N THR A 90 -3.708 -11.108 9.257 1.00 0.00 N ATOM 1278 CA THR A 90 -4.155 -9.724 9.348 1.00 0.00 C ATOM 1279 C THR A 90 -3.861 -9.131 10.716 1.00 0.00 C ATOM 1280 O THR A 90 -3.845 -9.835 11.726 1.00 0.00 O ATOM 1281 CB THR A 90 -5.646 -9.611 9.053 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.370 -10.640 9.704 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.973 -9.677 7.578 1.00 0.00 C ATOM 0 H THR A 90 -3.935 -11.682 10.069 1.00 0.00 H new ATOM 0 HA THR A 90 -3.599 -9.160 8.599 1.00 0.00 H new ATOM 0 HB THR A 90 -5.938 -8.630 9.428 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.324 -10.547 9.502 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.051 -9.590 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.474 -8.860 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.630 -10.629 7.172 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.631 -7.825 10.734 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.337 -7.114 11.969 1.00 0.00 C ATOM 1293 C LEU A 91 -3.912 -5.701 11.928 1.00 0.00 C ATOM 1294 O LEU A 91 -3.336 -4.772 12.491 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.826 -7.058 12.196 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.383 -7.186 13.654 1.00 0.00 C ATOM 1297 CD1 LEU A 91 0.135 -7.190 13.753 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.971 -6.057 14.488 1.00 0.00 C ATOM 0 H LEU A 91 -3.643 -7.235 9.902 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.802 -7.652 12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.358 -7.856 11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.450 -6.115 11.800 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.753 -8.133 14.046 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.431 -7.282 14.798 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.534 -8.032 13.187 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.529 -6.259 13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.646 -6.162 15.523 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.629 -5.099 14.096 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.059 -6.100 14.443 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.047 -5.546 11.249 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.694 -4.242 11.129 1.00 0.00 C ATOM 1312 C LYS A 92 -6.677 -3.994 12.272 1.00 0.00 C ATOM 1313 O LYS A 92 -7.748 -4.598 12.316 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.438 -4.133 9.797 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.459 -5.239 9.576 1.00 0.00 C ATOM 1316 CD LYS A 92 -7.302 -5.884 8.208 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.626 -6.424 7.693 1.00 0.00 C ATOM 1318 NZ LYS A 92 -9.484 -5.347 7.126 1.00 0.00 N ATOM 0 H LYS A 92 -5.536 -6.305 10.775 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.908 -3.488 11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.944 -3.169 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.713 -4.152 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.347 -5.997 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.465 -4.830 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.907 -5.153 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.576 -6.694 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.438 -7.178 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.156 -6.920 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.377 -5.757 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.686 -4.640 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.989 -4.890 6.333 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.339 -3.085 13.205 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.211 -2.752 14.327 1.00 0.00 C ATOM 1334 C PRO A 93 -8.269 -1.725 13.930 1.00 0.00 C ATOM 1335 O PRO A 93 -9.322 -1.624 14.560 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.240 -2.163 15.344 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.189 -1.505 14.517 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.092 -2.294 13.232 1.00 0.00 C ATOM 0 HA PRO A 93 -7.770 -3.610 14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.737 -1.447 15.999 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.816 -2.938 15.983 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.449 -0.466 14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.233 -1.498 15.040 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.017 -1.638 12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.211 -2.936 13.223 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.975 -0.968 12.875 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.901 0.041 12.395 1.00 0.00 C ATOM 1348 C GLY A 94 -8.964 0.084 10.879 1.00 0.00 C ATOM 1349 O GLY A 94 -8.087 -0.452 10.201 1.00 0.00 O ATOM 0 H GLY A 94 -7.108 -1.037 12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.895 -0.162 12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.599 1.018 12.773 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.997 0.727 10.347 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.167 0.846 8.914 1.00 0.00 C ATOM 1355 C LYS A 95 -10.923 2.124 8.568 1.00 0.00 C ATOM 1356 O LYS A 95 -11.896 2.102 7.815 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.901 -0.375 8.354 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.283 -0.583 8.953 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.355 -1.867 9.764 1.00 0.00 C ATOM 1360 CE LYS A 95 -12.621 -3.073 8.878 1.00 0.00 C ATOM 1361 NZ LYS A 95 -12.468 -4.354 9.620 1.00 0.00 N ATOM 0 H LYS A 95 -10.731 1.175 10.896 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.179 0.894 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.995 -0.268 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.298 -1.265 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.535 0.265 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.025 -0.614 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.419 -2.010 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.144 -1.782 10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.630 -3.008 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.934 -3.060 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.658 -5.151 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.498 -4.429 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.141 -4.379 10.412 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.469 3.236 9.129 1.00 0.00 N ATOM 1376 CA VAL A 96 -11.098 4.527 8.891 1.00 0.00 C ATOM 1377 C VAL A 96 -10.467 5.226 7.697 1.00 0.00 C ATOM 1378 O VAL A 96 -9.259 5.138 7.477 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.993 5.446 10.122 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.856 6.684 9.938 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -11.385 4.697 11.387 1.00 0.00 C ATOM 0 H VAL A 96 -9.664 3.269 9.755 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.151 4.332 8.687 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.956 5.765 10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.769 7.322 10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.522 7.233 9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.896 6.386 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.304 5.364 12.245 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.413 4.344 11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.720 3.845 11.526 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.294 5.919 6.931 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.828 6.636 5.756 1.00 0.00 C ATOM 1393 C ASP A 97 -10.109 7.917 6.153 1.00 0.00 C ATOM 1394 O ASP A 97 -10.442 8.550 7.154 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.001 6.959 4.829 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.544 7.471 3.476 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.556 6.929 2.940 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.177 8.413 2.955 1.00 0.00 O ATOM 0 H ASP A 97 -12.296 6.000 7.103 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.124 5.995 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.608 6.064 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.639 7.706 5.301 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.118 8.284 5.357 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.329 9.483 5.608 1.00 0.00 C ATOM 1405 C VAL A 98 -7.918 10.150 4.299 1.00 0.00 C ATOM 1406 O VAL A 98 -7.206 9.559 3.488 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.062 9.158 6.423 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.445 10.430 6.983 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.383 8.175 7.538 1.00 0.00 C ATOM 0 H VAL A 98 -8.838 7.765 4.525 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.958 10.165 6.181 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.334 8.693 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.552 10.180 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.176 11.096 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.165 10.928 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.477 7.957 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.129 8.610 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.773 7.252 7.108 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.371 11.383 4.099 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.048 12.126 2.888 1.00 0.00 C ATOM 1421 C LYS A 99 -6.562 12.465 2.835 1.00 0.00 C ATOM 1422 O LYS A 99 -6.019 13.064 3.764 1.00 0.00 O ATOM 1423 CB LYS A 99 -8.879 13.408 2.813 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.320 13.766 1.403 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.821 14.003 1.328 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.179 14.955 0.199 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.309 15.852 0.567 1.00 0.00 N ATOM 0 H LYS A 99 -8.962 11.888 4.759 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.288 11.495 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.761 13.296 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.297 14.233 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.793 14.661 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.043 12.963 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.333 13.052 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.174 14.411 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.307 15.556 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.445 14.382 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.523 16.486 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.149 15.280 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.046 16.418 1.399 1.00 0.00 H new ATOM 1441 N THR A 100 -5.908 12.075 1.745 1.00 0.00 N ATOM 1442 CA THR A 100 -4.486 12.335 1.573 1.00 0.00 C ATOM 1443 C THR A 100 -4.241 13.778 1.138 1.00 0.00 C ATOM 1444 O THR A 100 -5.136 14.437 0.609 1.00 0.00 O ATOM 1445 CB THR A 100 -3.897 11.367 0.545 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.481 11.413 0.563 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.348 11.645 -0.875 1.00 0.00 C ATOM 0 H THR A 100 -6.342 11.577 0.968 1.00 0.00 H new ATOM 0 HA THR A 100 -3.992 12.182 2.533 1.00 0.00 H new ATOM 0 HB THR A 100 -4.264 10.383 0.837 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.125 10.786 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.892 10.921 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.433 11.563 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.044 12.651 -1.163 1.00 0.00 H new