USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot 130:sc= -2.36 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.79 K(o=-4.2,f=-4.8) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 137:sc= -0.797 (180deg=-4.54!) USER MOD Set 2.2: A 105 ASN : amide:sc= -2.54! C(o=-3.3!,f=-4.7!) USER MOD Set 3.1: A 44 MET CE :methyl 180:sc= -3.57 (180deg=-3.44) USER MOD Set 3.2: A 47 MET CE :methyl 144:sc= -3.75! (180deg=-6.37!) USER MOD Set 3.3: A 52 HIS : no HD1:sc= -18.9! C(o=-26!,f=-37!) USER MOD Set 3.4: A 79 THR OG1 : rot -48:sc= -0.251! USER MOD Set 4.1: A 15 GLN : amide:sc= -0.938 K(o=-0.93,f=-4.7!) USER MOD Set 4.2: A 18 SER OG : rot -162:sc= 0.00724 USER MOD Set 5.1: A 8 LYS NZ :NH3+ -103:sc= 0 (180deg=0) USER MOD Set 5.2: A 33 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.8!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 32 LYS NZ :NH3+ -116:sc= 0.716 (180deg=-0.15) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -3.47! C(o=-3.5!,f=-5.8!) USER MOD Single : A 53 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-1.1) USER MOD Single : A 57 SER OG : rot 180:sc= -0.752 USER MOD Single : A 60 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.5!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -155:sc= -1.09 (180deg=-1.27) USER MOD Single : A 71 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.7!) USER MOD Single : A 76 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.912) USER MOD Single : A 97 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.671 12.573 7.838 1.00 0.00 N ATOM 74 CA LYS A 6 6.190 11.792 6.728 1.00 0.00 C ATOM 75 C LYS A 6 5.461 10.449 6.670 1.00 0.00 C ATOM 76 O LYS A 6 6.024 9.451 6.221 1.00 0.00 O ATOM 77 CB LYS A 6 7.711 11.662 6.829 1.00 0.00 C ATOM 78 CG LYS A 6 8.105 10.666 7.919 1.00 0.00 C ATOM 79 CD LYS A 6 9.627 10.556 8.039 1.00 0.00 C ATOM 80 CE LYS A 6 10.137 9.269 7.386 1.00 0.00 C ATOM 81 NZ LYS A 6 10.526 8.283 8.420 1.00 0.00 N ATOM 0 HA LYS A 6 5.999 12.300 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.116 11.337 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.149 12.636 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.683 10.981 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.683 9.687 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.096 11.419 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.915 10.573 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.362 8.847 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.992 9.492 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.870 7.416 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.280 8.682 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.701 8.058 9.012 1.00 0.00 H new ATOM 95 N ILE A 7 4.219 10.465 7.130 1.00 0.00 N ATOM 96 CA ILE A 7 3.406 9.260 7.136 1.00 0.00 C ATOM 97 C ILE A 7 2.149 9.493 6.298 1.00 0.00 C ATOM 98 O ILE A 7 1.137 9.971 6.809 1.00 0.00 O ATOM 99 CB ILE A 7 3.115 8.818 8.572 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.243 7.561 8.592 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.495 9.959 9.382 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.102 6.296 8.531 1.00 0.00 C ATOM 0 H ILE A 7 3.755 11.294 7.502 1.00 0.00 H new ATOM 0 HA ILE A 7 3.947 8.433 6.675 1.00 0.00 H new ATOM 0 HB ILE A 7 4.061 8.562 9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.636 7.549 9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.554 7.578 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.298 9.618 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.185 10.803 9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.560 10.270 8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.457 5.417 8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.689 6.299 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.772 6.270 9.390 1.00 0.00 H new ATOM 114 N LYS A 8 2.252 9.145 5.023 1.00 0.00 N ATOM 115 CA LYS A 8 1.136 9.311 4.109 1.00 0.00 C ATOM 116 C LYS A 8 0.764 7.951 3.513 1.00 0.00 C ATOM 117 O LYS A 8 1.638 7.129 3.241 1.00 0.00 O ATOM 118 CB LYS A 8 1.457 10.376 3.059 1.00 0.00 C ATOM 119 CG LYS A 8 0.396 11.478 3.053 1.00 0.00 C ATOM 120 CD LYS A 8 0.960 12.779 2.479 1.00 0.00 C ATOM 121 CE LYS A 8 0.168 13.225 1.248 1.00 0.00 C ATOM 122 NZ LYS A 8 0.078 14.701 1.196 1.00 0.00 N ATOM 0 H LYS A 8 3.092 8.749 4.602 1.00 0.00 H new ATOM 0 HA LYS A 8 0.258 9.677 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.436 10.810 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.513 9.915 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.463 11.158 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.039 11.649 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.928 13.560 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.007 12.638 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.649 12.852 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.833 12.795 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.868 15.002 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.796 15.115 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.242 15.025 0.221 1.00 0.00 H new ATOM 136 N VAL A 9 -0.533 7.758 3.326 1.00 0.00 N ATOM 137 CA VAL A 9 -1.031 6.512 2.767 1.00 0.00 C ATOM 138 C VAL A 9 -1.382 6.724 1.293 1.00 0.00 C ATOM 139 O VAL A 9 -2.163 7.613 0.960 1.00 0.00 O ATOM 140 CB VAL A 9 -2.211 6.001 3.596 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.596 4.579 3.184 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.901 6.073 5.093 1.00 0.00 C ATOM 0 H VAL A 9 -1.254 8.443 3.551 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.263 5.740 2.810 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.065 6.649 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.437 4.240 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.879 4.569 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.747 3.913 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.756 5.704 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.027 5.460 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.699 7.107 5.373 1.00 0.00 H new ATOM 152 N LEU A 10 -0.789 5.891 0.451 1.00 0.00 N ATOM 153 CA LEU A 10 -1.031 5.976 -0.980 1.00 0.00 C ATOM 154 C LEU A 10 -1.895 4.791 -1.417 1.00 0.00 C ATOM 155 O LEU A 10 -1.482 3.639 -1.296 1.00 0.00 O ATOM 156 CB LEU A 10 0.293 6.086 -1.739 1.00 0.00 C ATOM 157 CG LEU A 10 0.289 5.554 -3.174 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.877 4.142 -3.236 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.116 5.617 -3.778 1.00 0.00 C ATOM 0 H LEU A 10 -0.142 5.154 0.731 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.587 6.882 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.590 7.135 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.057 5.551 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 10 0.929 6.197 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.863 3.787 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.904 4.159 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.283 3.473 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.091 5.233 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.797 5.012 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.462 6.651 -3.788 1.00 0.00 H new ATOM 171 N ILE A 11 -3.077 5.117 -1.919 1.00 0.00 N ATOM 172 CA ILE A 11 -4.003 4.094 -2.376 1.00 0.00 C ATOM 173 C ILE A 11 -4.615 4.526 -3.709 1.00 0.00 C ATOM 174 O ILE A 11 -5.382 5.486 -3.763 1.00 0.00 O ATOM 175 CB ILE A 11 -5.041 3.788 -1.294 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.044 4.935 -1.156 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.362 3.456 0.038 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.171 4.804 -2.180 1.00 0.00 C ATOM 0 H ILE A 11 -3.415 6.074 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.477 3.156 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.603 2.905 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.461 4.938 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.533 5.888 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.121 3.242 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.721 2.584 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.760 4.305 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.870 5.632 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.753 4.825 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.696 3.861 -2.025 1.00 0.00 H new ATOM 190 N VAL A 12 -4.252 3.796 -4.755 1.00 0.00 N ATOM 191 CA VAL A 12 -4.756 4.092 -6.085 1.00 0.00 C ATOM 192 C VAL A 12 -5.238 2.797 -6.742 1.00 0.00 C ATOM 193 O VAL A 12 -4.526 1.795 -6.743 1.00 0.00 O ATOM 194 CB VAL A 12 -3.683 4.814 -6.903 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.413 3.967 -7.010 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.210 5.189 -8.289 1.00 0.00 C ATOM 0 H VAL A 12 -3.615 3.001 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.611 4.766 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.428 5.736 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.667 4.503 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.020 3.773 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.647 3.021 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.428 5.701 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.507 4.286 -8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.072 5.848 -8.184 1.00 0.00 H new ATOM 206 N ASP A 13 -6.445 2.861 -7.286 1.00 0.00 N ATOM 207 CA ASP A 13 -7.031 1.707 -7.945 1.00 0.00 C ATOM 208 C ASP A 13 -7.752 2.161 -9.215 1.00 0.00 C ATOM 209 O ASP A 13 -8.348 3.236 -9.244 1.00 0.00 O ATOM 210 CB ASP A 13 -8.054 1.017 -7.041 1.00 0.00 C ATOM 211 CG ASP A 13 -7.486 0.439 -5.743 1.00 0.00 C ATOM 212 OD1 ASP A 13 -6.906 1.236 -4.974 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.645 -0.785 -5.549 1.00 0.00 O ATOM 0 H ASP A 13 -7.033 3.695 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.227 1.009 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.836 1.734 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.528 0.212 -7.603 1.00 0.00 H new ATOM 218 N ASP A 14 -7.674 1.319 -10.236 1.00 0.00 N ATOM 219 CA ASP A 14 -8.312 1.621 -11.505 1.00 0.00 C ATOM 220 C ASP A 14 -9.803 1.876 -11.275 1.00 0.00 C ATOM 221 O ASP A 14 -10.339 2.889 -11.721 1.00 0.00 O ATOM 222 CB ASP A 14 -8.178 0.450 -12.481 1.00 0.00 C ATOM 223 CG ASP A 14 -8.052 0.846 -13.953 1.00 0.00 C ATOM 224 OD1 ASP A 14 -9.010 1.472 -14.456 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.001 0.514 -14.543 1.00 0.00 O ATOM 0 H ASP A 14 -7.178 0.428 -10.209 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.824 2.500 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.303 -0.137 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.047 -0.199 -12.368 1.00 0.00 H new ATOM 230 N GLN A 15 -10.429 0.939 -10.577 1.00 0.00 N ATOM 231 CA GLN A 15 -11.848 1.049 -10.283 1.00 0.00 C ATOM 232 C GLN A 15 -12.063 1.883 -9.017 1.00 0.00 C ATOM 233 O GLN A 15 -11.269 1.810 -8.079 1.00 0.00 O ATOM 234 CB GLN A 15 -12.488 -0.333 -10.144 1.00 0.00 C ATOM 235 CG GLN A 15 -13.789 -0.417 -10.946 1.00 0.00 C ATOM 236 CD GLN A 15 -14.902 -1.063 -10.119 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.673 -1.654 -9.076 1.00 0.00 O ATOM 238 NE2 GLN A 15 -16.118 -0.917 -10.640 1.00 0.00 N ATOM 0 H GLN A 15 -9.980 0.101 -10.207 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.334 1.555 -11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.792 -1.097 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.690 -0.540 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.095 0.582 -11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.624 -0.996 -11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.240 -0.410 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.928 -1.312 -10.162 1.00 0.00 H new ATOM 247 N VAL A 16 -13.140 2.654 -9.030 1.00 0.00 N ATOM 248 CA VAL A 16 -13.469 3.500 -7.896 1.00 0.00 C ATOM 249 C VAL A 16 -13.926 2.623 -6.728 1.00 0.00 C ATOM 250 O VAL A 16 -13.542 2.859 -5.583 1.00 0.00 O ATOM 251 CB VAL A 16 -14.513 4.541 -8.305 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.301 5.035 -7.090 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.859 5.710 -9.047 1.00 0.00 C ATOM 0 H VAL A 16 -13.796 2.710 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.590 4.053 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.215 4.061 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.036 5.774 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.812 4.194 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.617 5.490 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.622 6.436 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.125 6.187 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.364 5.340 -9.945 1.00 0.00 H new ATOM 263 N THR A 17 -14.740 1.631 -7.057 1.00 0.00 N ATOM 264 CA THR A 17 -15.252 0.717 -6.050 1.00 0.00 C ATOM 265 C THR A 17 -14.099 0.053 -5.295 1.00 0.00 C ATOM 266 O THR A 17 -14.197 -0.191 -4.094 1.00 0.00 O ATOM 267 CB THR A 17 -16.179 -0.282 -6.745 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.476 0.051 -6.257 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.957 -1.717 -6.265 1.00 0.00 C ATOM 0 H THR A 17 -15.058 1.440 -8.007 1.00 0.00 H new ATOM 0 HA THR A 17 -15.831 1.247 -5.293 1.00 0.00 H new ATOM 0 HB THR A 17 -16.025 -0.232 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.140 -0.548 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.640 -2.386 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.929 -2.014 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.144 -1.775 -5.193 1.00 0.00 H new ATOM 277 N SER A 18 -13.032 -0.221 -6.032 1.00 0.00 N ATOM 278 CA SER A 18 -11.861 -0.852 -5.448 1.00 0.00 C ATOM 279 C SER A 18 -11.119 0.146 -4.555 1.00 0.00 C ATOM 280 O SER A 18 -10.925 -0.105 -3.366 1.00 0.00 O ATOM 281 CB SER A 18 -10.926 -1.390 -6.532 1.00 0.00 C ATOM 282 OG SER A 18 -11.644 -1.861 -7.669 1.00 0.00 O ATOM 0 H SER A 18 -12.954 -0.017 -7.028 1.00 0.00 H new ATOM 0 HA SER A 18 -12.194 -1.695 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.236 -0.604 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.324 -2.201 -6.122 1.00 0.00 H new ATOM 0 HG SER A 18 -11.063 -2.440 -8.206 1.00 0.00 H new ATOM 288 N ARG A 19 -10.725 1.255 -5.164 1.00 0.00 N ATOM 289 CA ARG A 19 -10.008 2.291 -4.439 1.00 0.00 C ATOM 290 C ARG A 19 -10.885 2.860 -3.320 1.00 0.00 C ATOM 291 O ARG A 19 -10.375 3.313 -2.298 1.00 0.00 O ATOM 292 CB ARG A 19 -9.587 3.426 -5.375 1.00 0.00 C ATOM 293 CG ARG A 19 -9.764 4.787 -4.699 1.00 0.00 C ATOM 294 CD ARG A 19 -11.225 5.239 -4.749 1.00 0.00 C ATOM 295 NE ARG A 19 -11.304 6.652 -5.183 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.314 7.477 -4.877 1.00 0.00 C ATOM 297 NH1 ARG A 19 -13.337 7.036 -4.132 1.00 0.00 N ATOM 298 NH2 ARG A 19 -12.301 8.744 -5.314 1.00 0.00 N ATOM 0 H ARG A 19 -10.888 1.459 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.114 1.838 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.545 3.294 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.182 3.389 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.433 4.728 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.134 5.527 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.786 4.607 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.683 5.126 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.541 7.021 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.346 6.072 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.106 7.664 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.522 9.080 -5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.070 9.372 -5.081 1.00 0.00 H new ATOM 312 N LEU A 20 -12.188 2.816 -3.554 1.00 0.00 N ATOM 313 CA LEU A 20 -13.141 3.321 -2.579 1.00 0.00 C ATOM 314 C LEU A 20 -13.204 2.361 -1.390 1.00 0.00 C ATOM 315 O LEU A 20 -13.223 2.794 -0.238 1.00 0.00 O ATOM 316 CB LEU A 20 -14.498 3.575 -3.237 1.00 0.00 C ATOM 317 CG LEU A 20 -15.664 3.848 -2.285 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.600 4.915 -2.857 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.409 2.555 -1.945 1.00 0.00 C ATOM 0 H LEU A 20 -12.607 2.439 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.815 4.287 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.399 4.425 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.750 2.710 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.259 4.241 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.420 5.090 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.047 5.842 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.001 4.574 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.233 2.777 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.802 2.110 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.724 1.855 -1.466 1.00 0.00 H new ATOM 331 N LEU A 21 -13.234 1.075 -1.709 1.00 0.00 N ATOM 332 CA LEU A 21 -13.294 0.050 -0.681 1.00 0.00 C ATOM 333 C LEU A 21 -12.071 0.174 0.230 1.00 0.00 C ATOM 334 O LEU A 21 -12.207 0.326 1.443 1.00 0.00 O ATOM 335 CB LEU A 21 -13.453 -1.334 -1.312 1.00 0.00 C ATOM 336 CG LEU A 21 -14.859 -1.692 -1.800 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.812 -2.820 -2.832 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.777 -2.029 -0.623 1.00 0.00 C ATOM 0 H LEU A 21 -13.218 0.720 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.174 0.192 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.767 -1.407 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.142 -2.082 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.280 -0.819 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.824 -3.054 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.215 -2.505 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.363 -3.706 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.770 -2.280 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.370 -2.879 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.846 -1.168 0.042 1.00 0.00 H new ATOM 350 N LEU A 22 -10.903 0.105 -0.391 1.00 0.00 N ATOM 351 CA LEU A 22 -9.655 0.207 0.348 1.00 0.00 C ATOM 352 C LEU A 22 -9.646 1.513 1.146 1.00 0.00 C ATOM 353 O LEU A 22 -9.377 1.509 2.346 1.00 0.00 O ATOM 354 CB LEU A 22 -8.460 0.054 -0.594 1.00 0.00 C ATOM 355 CG LEU A 22 -8.603 0.706 -1.970 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.749 1.971 -2.069 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.281 -0.291 -3.086 1.00 0.00 C ATOM 0 H LEU A 22 -10.794 -0.020 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.570 -0.608 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.581 0.474 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.269 -1.010 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.642 1.008 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.869 2.415 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.067 2.685 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.701 1.716 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.390 0.198 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.257 -0.646 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.966 -1.137 -3.027 1.00 0.00 H new ATOM 369 N GLY A 23 -9.942 2.598 0.446 1.00 0.00 N ATOM 370 CA GLY A 23 -9.972 3.908 1.075 1.00 0.00 C ATOM 371 C GLY A 23 -11.034 3.966 2.173 1.00 0.00 C ATOM 372 O GLY A 23 -10.876 4.687 3.158 1.00 0.00 O ATOM 0 H GLY A 23 -10.163 2.597 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.993 4.134 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.178 4.671 0.324 1.00 0.00 H new ATOM 376 N ASP A 24 -12.094 3.198 1.969 1.00 0.00 N ATOM 377 CA ASP A 24 -13.182 3.152 2.930 1.00 0.00 C ATOM 378 C ASP A 24 -12.746 2.338 4.150 1.00 0.00 C ATOM 379 O ASP A 24 -12.921 2.775 5.286 1.00 0.00 O ATOM 380 CB ASP A 24 -14.418 2.479 2.330 1.00 0.00 C ATOM 381 CG ASP A 24 -15.681 2.563 3.190 1.00 0.00 C ATOM 382 OD1 ASP A 24 -16.421 3.556 3.017 1.00 0.00 O ATOM 383 OD2 ASP A 24 -15.879 1.632 4.001 1.00 0.00 O ATOM 0 H ASP A 24 -12.222 2.602 1.151 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.428 4.176 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.626 2.932 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.189 1.429 2.148 1.00 0.00 H new ATOM 388 N ALA A 25 -12.188 1.169 3.872 1.00 0.00 N ATOM 389 CA ALA A 25 -11.725 0.290 4.934 1.00 0.00 C ATOM 390 C ALA A 25 -10.714 1.038 5.806 1.00 0.00 C ATOM 391 O ALA A 25 -10.758 0.945 7.032 1.00 0.00 O ATOM 392 CB ALA A 25 -11.138 -0.983 4.322 1.00 0.00 C ATOM 0 H ALA A 25 -12.046 0.810 2.928 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.555 -0.008 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.791 -1.642 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.904 -1.492 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.300 -0.723 3.675 1.00 0.00 H new ATOM 398 N LEU A 26 -9.829 1.763 5.138 1.00 0.00 N ATOM 399 CA LEU A 26 -8.809 2.527 5.837 1.00 0.00 C ATOM 400 C LEU A 26 -9.456 3.739 6.510 1.00 0.00 C ATOM 401 O LEU A 26 -8.962 4.228 7.524 1.00 0.00 O ATOM 402 CB LEU A 26 -7.665 2.888 4.887 1.00 0.00 C ATOM 403 CG LEU A 26 -6.617 1.797 4.654 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.282 0.459 4.328 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.619 2.218 3.574 1.00 0.00 C ATOM 0 H LEU A 26 -9.797 1.838 4.121 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.359 1.927 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.093 3.165 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.160 3.772 5.277 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.055 1.661 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.515 -0.299 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.921 0.158 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.885 0.563 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.885 1.425 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.149 2.399 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.110 3.131 3.885 1.00 0.00 H new ATOM 417 N GLN A 27 -10.552 4.189 5.917 1.00 0.00 N ATOM 418 CA GLN A 27 -11.272 5.334 6.445 1.00 0.00 C ATOM 419 C GLN A 27 -11.665 5.088 7.904 1.00 0.00 C ATOM 420 O GLN A 27 -11.423 5.930 8.766 1.00 0.00 O ATOM 421 CB GLN A 27 -12.502 5.650 5.591 1.00 0.00 C ATOM 422 CG GLN A 27 -13.792 5.318 6.345 1.00 0.00 C ATOM 423 CD GLN A 27 -15.022 5.753 5.545 1.00 0.00 C ATOM 424 OE1 GLN A 27 -15.369 5.173 4.529 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.658 6.801 6.058 1.00 0.00 N ATOM 0 H GLN A 27 -10.959 3.781 5.075 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.613 6.201 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.498 6.705 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.462 5.079 4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.839 4.246 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.789 5.816 7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.313 7.239 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.491 7.167 5.598 1.00 0.00 H new ATOM 434 N GLN A 28 -12.265 3.929 8.133 1.00 0.00 N ATOM 435 CA GLN A 28 -12.694 3.561 9.472 1.00 0.00 C ATOM 436 C GLN A 28 -11.480 3.373 10.385 1.00 0.00 C ATOM 437 O GLN A 28 -11.623 3.292 11.604 1.00 0.00 O ATOM 438 CB GLN A 28 -13.558 2.299 9.443 1.00 0.00 C ATOM 439 CG GLN A 28 -14.976 2.594 9.936 1.00 0.00 C ATOM 440 CD GLN A 28 -15.824 1.321 9.962 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.322 0.211 9.993 1.00 0.00 O ATOM 442 NE2 GLN A 28 -17.135 1.545 9.944 1.00 0.00 N ATOM 0 H GLN A 28 -12.464 3.233 7.415 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.304 4.371 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.597 1.904 8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.105 1.529 10.068 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.934 3.028 10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.444 3.334 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.489 2.501 9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.787 0.760 9.956 1.00 0.00 H new ATOM 451 N LEU A 29 -10.313 3.311 9.760 1.00 0.00 N ATOM 452 CA LEU A 29 -9.076 3.135 10.502 1.00 0.00 C ATOM 453 C LEU A 29 -8.363 4.483 10.622 1.00 0.00 C ATOM 454 O LEU A 29 -7.512 4.664 11.493 1.00 0.00 O ATOM 455 CB LEU A 29 -8.219 2.040 9.862 1.00 0.00 C ATOM 456 CG LEU A 29 -6.731 2.359 9.707 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.053 2.490 11.072 1.00 0.00 C ATOM 458 CD2 LEU A 29 -6.038 1.322 8.820 1.00 0.00 C ATOM 0 H LEU A 29 -10.198 3.379 8.749 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.284 2.793 11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.316 1.134 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.627 1.816 8.876 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.639 3.324 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.996 2.717 10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.525 3.293 11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.154 1.553 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.981 1.572 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.139 0.334 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.500 1.321 7.833 1.00 0.00 H new ATOM 470 N GLY A 30 -8.736 5.395 9.736 1.00 0.00 N ATOM 471 CA GLY A 30 -8.141 6.721 9.732 1.00 0.00 C ATOM 472 C GLY A 30 -6.633 6.645 9.488 1.00 0.00 C ATOM 473 O GLY A 30 -5.867 7.411 10.071 1.00 0.00 O ATOM 0 H GLY A 30 -9.442 5.242 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.608 7.330 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.334 7.213 10.685 1.00 0.00 H new ATOM 477 N PHE A 31 -6.251 5.716 8.625 1.00 0.00 N ATOM 478 CA PHE A 31 -4.848 5.530 8.296 1.00 0.00 C ATOM 479 C PHE A 31 -4.040 6.791 8.610 1.00 0.00 C ATOM 480 O PHE A 31 -3.587 6.977 9.738 1.00 0.00 O ATOM 481 CB PHE A 31 -4.774 5.252 6.793 1.00 0.00 C ATOM 482 CG PHE A 31 -5.814 6.011 5.968 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.140 5.803 6.187 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.413 6.894 5.014 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.106 6.508 5.420 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.379 7.600 4.248 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.705 7.391 4.468 1.00 0.00 C ATOM 0 H PHE A 31 -6.889 5.083 8.143 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.434 4.710 8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.779 5.514 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.902 4.183 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.459 5.102 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.360 7.058 4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.159 6.342 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.061 8.302 3.492 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.440 7.927 3.886 1.00 0.00 H new ATOM 497 N LYS A 32 -3.884 7.624 7.592 1.00 0.00 N ATOM 498 CA LYS A 32 -3.139 8.862 7.744 1.00 0.00 C ATOM 499 C LYS A 32 -3.551 9.840 6.643 1.00 0.00 C ATOM 500 O LYS A 32 -3.999 10.949 6.929 1.00 0.00 O ATOM 501 CB LYS A 32 -1.635 8.580 7.785 1.00 0.00 C ATOM 502 CG LYS A 32 -0.943 9.454 8.833 1.00 0.00 C ATOM 503 CD LYS A 32 -1.038 10.936 8.461 1.00 0.00 C ATOM 504 CE LYS A 32 -1.553 11.764 9.639 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.978 12.114 9.444 1.00 0.00 N ATOM 0 H LYS A 32 -4.261 7.466 6.658 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.378 9.336 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.464 7.528 8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.199 8.768 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.401 9.290 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.104 9.164 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.058 11.302 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.704 11.058 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.434 11.202 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.960 12.673 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.073 13.146 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.332 11.660 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.532 11.782 10.260 1.00 0.00 H new ATOM 519 N GLN A 33 -3.385 9.393 5.406 1.00 0.00 N ATOM 520 CA GLN A 33 -3.734 10.215 4.261 1.00 0.00 C ATOM 521 C GLN A 33 -3.973 9.338 3.030 1.00 0.00 C ATOM 522 O GLN A 33 -3.144 8.493 2.695 1.00 0.00 O ATOM 523 CB GLN A 33 -2.653 11.262 3.986 1.00 0.00 C ATOM 524 CG GLN A 33 -3.143 12.665 4.346 1.00 0.00 C ATOM 525 CD GLN A 33 -2.682 13.691 3.308 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.779 13.485 2.109 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.177 14.803 3.834 1.00 0.00 N ATOM 0 H GLN A 33 -3.013 8.472 5.173 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.658 10.746 4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.759 11.026 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.371 11.231 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.231 12.669 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.767 12.944 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.125 14.910 4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.841 15.549 3.224 1.00 0.00 H new ATOM 536 N ILE A 34 -5.110 9.567 2.391 1.00 0.00 N ATOM 537 CA ILE A 34 -5.469 8.808 1.205 1.00 0.00 C ATOM 538 C ILE A 34 -5.011 9.570 -0.040 1.00 0.00 C ATOM 539 O ILE A 34 -5.555 10.624 -0.363 1.00 0.00 O ATOM 540 CB ILE A 34 -6.963 8.480 1.210 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.740 9.476 2.072 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.205 7.033 1.646 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.249 9.267 1.927 1.00 0.00 C ATOM 0 H ILE A 34 -5.796 10.268 2.672 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.956 7.846 1.198 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.337 8.576 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.452 9.360 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.481 10.494 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.275 6.826 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.701 6.356 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.812 6.885 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.778 9.988 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.537 9.408 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.508 8.256 2.242 1.00 0.00 H new ATOM 555 N THR A 35 -4.014 9.005 -0.707 1.00 0.00 N ATOM 556 CA THR A 35 -3.476 9.618 -1.910 1.00 0.00 C ATOM 557 C THR A 35 -3.558 8.644 -3.087 1.00 0.00 C ATOM 558 O THR A 35 -2.910 7.598 -3.078 1.00 0.00 O ATOM 559 CB THR A 35 -2.051 10.084 -1.606 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.201 11.464 -1.279 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.160 10.091 -2.850 1.00 0.00 C ATOM 0 H THR A 35 -3.565 8.130 -0.437 1.00 0.00 H new ATOM 0 HA THR A 35 -4.062 10.488 -2.207 1.00 0.00 H new ATOM 0 HB THR A 35 -1.611 9.437 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.324 11.847 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.160 10.429 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.103 9.084 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.582 10.765 -3.596 1.00 0.00 H new ATOM 569 N ALA A 36 -4.362 9.021 -4.071 1.00 0.00 N ATOM 570 CA ALA A 36 -4.536 8.194 -5.253 1.00 0.00 C ATOM 571 C ALA A 36 -4.220 9.021 -6.501 1.00 0.00 C ATOM 572 O ALA A 36 -4.528 10.211 -6.555 1.00 0.00 O ATOM 573 CB ALA A 36 -5.957 7.628 -5.273 1.00 0.00 C ATOM 0 H ALA A 36 -4.900 9.888 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.848 7.349 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.089 7.007 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.121 7.025 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.675 8.448 -5.294 1.00 0.00 H new ATOM 579 N ALA A 37 -3.610 8.358 -7.471 1.00 0.00 N ATOM 580 CA ALA A 37 -3.249 9.017 -8.715 1.00 0.00 C ATOM 581 C ALA A 37 -3.247 7.991 -9.850 1.00 0.00 C ATOM 582 O ALA A 37 -2.647 6.924 -9.725 1.00 0.00 O ATOM 583 CB ALA A 37 -1.894 9.708 -8.552 1.00 0.00 C ATOM 0 H ALA A 37 -3.356 7.371 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.979 9.786 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.623 10.202 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.957 10.448 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.135 8.967 -8.301 1.00 0.00 H new ATOM 589 N GLY A 38 -3.924 8.349 -10.930 1.00 0.00 N ATOM 590 CA GLY A 38 -4.008 7.472 -12.087 1.00 0.00 C ATOM 591 C GLY A 38 -3.974 6.002 -11.663 1.00 0.00 C ATOM 592 O GLY A 38 -5.018 5.397 -11.424 1.00 0.00 O ATOM 0 H GLY A 38 -4.420 9.235 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.928 7.675 -12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.180 7.678 -12.765 1.00 0.00 H new ATOM 596 N ASP A 39 -2.764 5.469 -11.583 1.00 0.00 N ATOM 597 CA ASP A 39 -2.580 4.082 -11.193 1.00 0.00 C ATOM 598 C ASP A 39 -1.269 3.944 -10.416 1.00 0.00 C ATOM 599 O ASP A 39 -0.619 4.942 -10.107 1.00 0.00 O ATOM 600 CB ASP A 39 -2.501 3.171 -12.419 1.00 0.00 C ATOM 601 CG ASP A 39 -3.676 2.204 -12.583 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.238 1.812 -11.538 1.00 0.00 O ATOM 603 OD2 ASP A 39 -3.985 1.880 -13.750 1.00 0.00 O ATOM 0 H ASP A 39 -1.900 5.974 -11.782 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.432 3.789 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.435 3.793 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.579 2.593 -12.364 1.00 0.00 H new ATOM 608 N GLY A 40 -0.920 2.700 -10.124 1.00 0.00 N ATOM 609 CA GLY A 40 0.302 2.419 -9.390 1.00 0.00 C ATOM 610 C GLY A 40 1.431 3.356 -9.824 1.00 0.00 C ATOM 611 O GLY A 40 2.136 3.915 -8.986 1.00 0.00 O ATOM 0 H GLY A 40 -1.462 1.875 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.122 2.532 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.600 1.384 -9.556 1.00 0.00 H new ATOM 615 N GLU A 41 1.568 3.498 -11.135 1.00 0.00 N ATOM 616 CA GLU A 41 2.599 4.356 -11.691 1.00 0.00 C ATOM 617 C GLU A 41 2.320 5.819 -11.337 1.00 0.00 C ATOM 618 O GLU A 41 3.168 6.494 -10.758 1.00 0.00 O ATOM 619 CB GLU A 41 2.710 4.171 -13.206 1.00 0.00 C ATOM 620 CG GLU A 41 3.694 3.051 -13.551 1.00 0.00 C ATOM 621 CD GLU A 41 4.248 3.225 -14.966 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.757 4.142 -15.659 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.152 2.438 -15.322 1.00 0.00 O ATOM 0 H GLU A 41 0.981 3.033 -11.828 1.00 0.00 H new ATOM 0 HA GLU A 41 3.555 4.071 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.729 3.939 -13.620 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.038 5.103 -13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.514 3.049 -12.833 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.195 2.085 -13.468 1.00 0.00 H new ATOM 630 N GLN A 42 1.126 6.265 -11.701 1.00 0.00 N ATOM 631 CA GLN A 42 0.724 7.634 -11.430 1.00 0.00 C ATOM 632 C GLN A 42 0.745 7.905 -9.924 1.00 0.00 C ATOM 633 O GLN A 42 1.225 8.949 -9.484 1.00 0.00 O ATOM 634 CB GLN A 42 -0.657 7.928 -12.019 1.00 0.00 C ATOM 635 CG GLN A 42 -0.722 9.349 -12.581 1.00 0.00 C ATOM 636 CD GLN A 42 -1.044 9.333 -14.077 1.00 0.00 C ATOM 637 OE1 GLN A 42 -0.915 8.327 -14.755 1.00 0.00 O ATOM 638 NE2 GLN A 42 -1.468 10.500 -14.552 1.00 0.00 N ATOM 0 H GLN A 42 0.424 5.702 -12.181 1.00 0.00 H new ATOM 0 HA GLN A 42 1.438 8.303 -11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.880 7.210 -12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.419 7.802 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.482 9.920 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.230 9.853 -12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.553 11.303 -13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.708 10.592 -15.539 1.00 0.00 H new ATOM 647 N GLY A 43 0.220 6.946 -9.174 1.00 0.00 N ATOM 648 CA GLY A 43 0.174 7.068 -7.727 1.00 0.00 C ATOM 649 C GLY A 43 1.574 6.961 -7.123 1.00 0.00 C ATOM 650 O GLY A 43 1.830 7.491 -6.043 1.00 0.00 O ATOM 0 H GLY A 43 -0.177 6.081 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.272 8.024 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.465 6.288 -7.313 1.00 0.00 H new ATOM 654 N MET A 44 2.445 6.270 -7.844 1.00 0.00 N ATOM 655 CA MET A 44 3.814 6.086 -7.392 1.00 0.00 C ATOM 656 C MET A 44 4.574 7.414 -7.391 1.00 0.00 C ATOM 657 O MET A 44 5.205 7.771 -6.398 1.00 0.00 O ATOM 658 CB MET A 44 4.525 5.091 -8.311 1.00 0.00 C ATOM 659 CG MET A 44 6.040 5.142 -8.107 1.00 0.00 C ATOM 660 SD MET A 44 6.621 3.591 -7.442 1.00 0.00 S ATOM 661 CE MET A 44 7.824 4.189 -6.267 1.00 0.00 C ATOM 0 H MET A 44 2.229 5.830 -8.739 1.00 0.00 H new ATOM 0 HA MET A 44 3.792 5.701 -6.373 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.161 4.083 -8.112 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.287 5.316 -9.350 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.536 5.349 -9.055 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.296 5.956 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.287 3.344 -5.758 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.590 4.761 -6.790 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.331 4.828 -5.534 1.00 0.00 H new ATOM 671 N LYS A 45 4.488 8.109 -8.516 1.00 0.00 N ATOM 672 CA LYS A 45 5.160 9.389 -8.658 1.00 0.00 C ATOM 673 C LYS A 45 4.468 10.425 -7.769 1.00 0.00 C ATOM 674 O LYS A 45 5.115 11.330 -7.245 1.00 0.00 O ATOM 675 CB LYS A 45 5.236 9.795 -10.131 1.00 0.00 C ATOM 676 CG LYS A 45 3.837 10.000 -10.715 1.00 0.00 C ATOM 677 CD LYS A 45 3.778 9.534 -12.172 1.00 0.00 C ATOM 678 CE LYS A 45 4.721 10.359 -13.050 1.00 0.00 C ATOM 679 NZ LYS A 45 5.362 9.500 -14.070 1.00 0.00 N ATOM 0 H LYS A 45 3.963 7.809 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 45 6.193 9.316 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.814 10.714 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.762 9.026 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.107 9.448 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.565 11.054 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.049 8.480 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.758 9.623 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.166 11.160 -13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.484 10.831 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.999 10.075 -14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.908 8.750 -13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.630 9.070 -14.671 1.00 0.00 H new ATOM 693 N ILE A 46 3.161 10.257 -7.628 1.00 0.00 N ATOM 694 CA ILE A 46 2.373 11.165 -6.812 1.00 0.00 C ATOM 695 C ILE A 46 2.697 10.930 -5.336 1.00 0.00 C ATOM 696 O ILE A 46 2.682 11.864 -4.536 1.00 0.00 O ATOM 697 CB ILE A 46 0.886 11.031 -7.145 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.495 11.959 -8.297 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.024 11.265 -5.902 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.143 11.510 -9.607 1.00 0.00 C ATOM 0 H ILE A 46 2.628 9.505 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 46 2.633 12.200 -7.034 1.00 0.00 H new ATOM 0 HB ILE A 46 0.701 10.010 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.589 11.969 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.801 12.979 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.029 11.164 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.279 10.530 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.207 12.268 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.849 12.187 -10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.228 11.524 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.815 10.498 -9.847 1.00 0.00 H new ATOM 712 N MET A 47 2.984 9.675 -5.018 1.00 0.00 N ATOM 713 CA MET A 47 3.311 9.305 -3.653 1.00 0.00 C ATOM 714 C MET A 47 4.764 9.656 -3.323 1.00 0.00 C ATOM 715 O MET A 47 5.044 10.231 -2.272 1.00 0.00 O ATOM 716 CB MET A 47 3.094 7.803 -3.464 1.00 0.00 C ATOM 717 CG MET A 47 4.116 7.219 -2.486 1.00 0.00 C ATOM 718 SD MET A 47 5.508 6.555 -3.383 1.00 0.00 S ATOM 719 CE MET A 47 4.788 5.044 -4.003 1.00 0.00 C ATOM 0 H MET A 47 2.996 8.902 -5.684 1.00 0.00 H new ATOM 0 HA MET A 47 2.659 9.862 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.085 7.622 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.175 7.297 -4.426 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.453 7.992 -1.795 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.652 6.436 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.178 4.837 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.042 4.220 -3.336 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.704 5.151 -4.052 1.00 0.00 H new ATOM 729 N ALA A 48 5.649 9.295 -4.240 1.00 0.00 N ATOM 730 CA ALA A 48 7.065 9.564 -4.059 1.00 0.00 C ATOM 731 C ALA A 48 7.286 11.075 -3.978 1.00 0.00 C ATOM 732 O ALA A 48 8.072 11.548 -3.158 1.00 0.00 O ATOM 733 CB ALA A 48 7.858 8.920 -5.198 1.00 0.00 C ATOM 0 H ALA A 48 5.413 8.819 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 48 7.422 9.127 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.920 9.122 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.690 7.843 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.529 9.335 -6.151 1.00 0.00 H new ATOM 739 N GLN A 49 6.580 11.792 -4.840 1.00 0.00 N ATOM 740 CA GLN A 49 6.690 13.241 -4.876 1.00 0.00 C ATOM 741 C GLN A 49 6.486 13.823 -3.477 1.00 0.00 C ATOM 742 O GLN A 49 6.891 14.953 -3.206 1.00 0.00 O ATOM 743 CB GLN A 49 5.694 13.841 -5.872 1.00 0.00 C ATOM 744 CG GLN A 49 6.392 14.239 -7.173 1.00 0.00 C ATOM 745 CD GLN A 49 7.040 15.620 -7.048 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.910 15.853 -6.225 1.00 0.00 O ATOM 747 NE2 GLN A 49 6.568 16.518 -7.908 1.00 0.00 N ATOM 0 H GLN A 49 5.930 11.397 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 49 7.693 13.503 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.906 13.118 -6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.214 14.715 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.151 13.498 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.670 14.245 -7.990 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.839 16.255 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.935 17.470 -7.905 1.00 0.00 H new ATOM 756 N ASN A 50 5.857 13.027 -2.624 1.00 0.00 N ATOM 757 CA ASN A 50 5.593 13.450 -1.260 1.00 0.00 C ATOM 758 C ASN A 50 5.845 12.277 -0.310 1.00 0.00 C ATOM 759 O ASN A 50 6.295 11.214 -0.735 1.00 0.00 O ATOM 760 CB ASN A 50 4.139 13.892 -1.091 1.00 0.00 C ATOM 761 CG ASN A 50 3.460 14.077 -2.450 1.00 0.00 C ATOM 762 OD1 ASN A 50 3.983 14.711 -3.352 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.270 13.491 -2.545 1.00 0.00 N ATOM 0 H ASN A 50 5.523 12.091 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 50 6.252 14.288 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.595 13.150 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.102 14.827 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.737 13.557 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.891 12.975 -1.751 1.00 0.00 H new ATOM 770 N PRO A 51 5.536 12.517 0.993 1.00 0.00 N ATOM 771 CA PRO A 51 5.724 11.493 2.007 1.00 0.00 C ATOM 772 C PRO A 51 4.638 10.420 1.911 1.00 0.00 C ATOM 773 O PRO A 51 3.514 10.705 1.499 1.00 0.00 O ATOM 774 CB PRO A 51 5.704 12.242 3.330 1.00 0.00 C ATOM 775 CG PRO A 51 5.044 13.580 3.042 1.00 0.00 C ATOM 776 CD PRO A 51 5.002 13.764 1.533 1.00 0.00 C ATOM 0 HA PRO A 51 6.660 10.948 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.147 11.687 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.714 12.380 3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.037 13.606 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.603 14.390 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.985 13.943 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.601 14.619 1.221 1.00 0.00 H new ATOM 784 N HIS A 52 5.011 9.209 2.297 1.00 0.00 N ATOM 785 CA HIS A 52 4.083 8.092 2.260 1.00 0.00 C ATOM 786 C HIS A 52 4.636 6.936 3.097 1.00 0.00 C ATOM 787 O HIS A 52 5.842 6.852 3.325 1.00 0.00 O ATOM 788 CB HIS A 52 3.779 7.687 0.817 1.00 0.00 C ATOM 789 CG HIS A 52 4.877 6.882 0.161 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.080 7.440 -0.236 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.941 5.559 -0.162 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.826 6.486 -0.773 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.118 5.321 -0.727 1.00 0.00 N ATOM 0 H HIS A 52 5.944 8.977 2.637 1.00 0.00 H new ATOM 0 HA HIS A 52 3.132 8.390 2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.857 7.106 0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.600 8.586 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.165 4.828 0.012 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.820 6.609 -1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.440 4.416 -1.070 1.00 0.00 H new ATOM 802 N HIS A 53 3.728 6.075 3.530 1.00 0.00 N ATOM 803 CA HIS A 53 4.110 4.929 4.337 1.00 0.00 C ATOM 804 C HIS A 53 3.176 3.755 4.036 1.00 0.00 C ATOM 805 O HIS A 53 3.130 2.784 4.789 1.00 0.00 O ATOM 806 CB HIS A 53 4.141 5.295 5.823 1.00 0.00 C ATOM 807 CG HIS A 53 4.931 4.333 6.677 1.00 0.00 C ATOM 808 ND1 HIS A 53 4.351 3.262 7.333 1.00 0.00 N ATOM 809 CD2 HIS A 53 6.262 4.292 6.974 1.00 0.00 C ATOM 810 CE1 HIS A 53 5.299 2.612 7.993 1.00 0.00 C ATOM 811 NE2 HIS A 53 6.482 3.252 7.769 1.00 0.00 N ATOM 0 H HIS A 53 2.729 6.148 3.337 1.00 0.00 H new ATOM 0 HA HIS A 53 5.122 4.620 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.565 6.293 5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.118 5.340 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.010 4.987 6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.159 1.731 8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.387 2.977 8.150 1.00 0.00 H new ATOM 820 N LEU A 54 2.455 3.884 2.932 1.00 0.00 N ATOM 821 CA LEU A 54 1.524 2.846 2.521 1.00 0.00 C ATOM 822 C LEU A 54 1.273 2.957 1.016 1.00 0.00 C ATOM 823 O LEU A 54 1.012 4.046 0.506 1.00 0.00 O ATOM 824 CB LEU A 54 0.248 2.906 3.364 1.00 0.00 C ATOM 825 CG LEU A 54 0.179 1.939 4.547 1.00 0.00 C ATOM 826 CD1 LEU A 54 -0.067 2.692 5.856 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.868 0.850 4.306 1.00 0.00 C ATOM 0 H LEU A 54 2.496 4.691 2.310 1.00 0.00 H new ATOM 0 HA LEU A 54 1.951 1.859 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.135 3.921 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.604 2.712 2.712 1.00 0.00 H new ATOM 0 HG LEU A 54 1.144 1.441 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.112 1.982 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.746 3.398 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.011 3.234 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.896 0.176 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.847 1.310 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.608 0.287 3.410 1.00 0.00 H new ATOM 839 N VAL A 55 1.362 1.817 0.347 1.00 0.00 N ATOM 840 CA VAL A 55 1.147 1.775 -1.089 1.00 0.00 C ATOM 841 C VAL A 55 0.211 0.613 -1.426 1.00 0.00 C ATOM 842 O VAL A 55 0.655 -0.524 -1.578 1.00 0.00 O ATOM 843 CB VAL A 55 2.491 1.689 -1.816 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.298 1.736 -3.333 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.438 2.795 -1.350 1.00 0.00 C ATOM 0 H VAL A 55 1.580 0.916 0.773 1.00 0.00 H new ATOM 0 HA VAL A 55 0.665 2.691 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 55 2.946 0.731 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.268 1.673 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.677 0.897 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.811 2.671 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.386 2.711 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.991 3.768 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.614 2.696 -0.279 1.00 0.00 H new ATOM 855 N ILE A 56 -1.069 0.938 -1.533 1.00 0.00 N ATOM 856 CA ILE A 56 -2.073 -0.064 -1.849 1.00 0.00 C ATOM 857 C ILE A 56 -2.669 0.235 -3.226 1.00 0.00 C ATOM 858 O ILE A 56 -2.959 1.386 -3.545 1.00 0.00 O ATOM 859 CB ILE A 56 -3.115 -0.148 -0.733 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.357 0.675 -1.079 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.513 0.261 0.612 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.285 -0.100 -2.018 1.00 0.00 C ATOM 0 H ILE A 56 -1.434 1.882 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.620 -1.054 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.433 -1.187 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.892 0.934 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.058 1.612 -1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.275 0.192 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.685 -0.404 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.149 1.287 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.160 0.508 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.755 -0.336 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.602 -1.024 -1.535 1.00 0.00 H new ATOM 874 N SER A 57 -2.835 -0.824 -4.006 1.00 0.00 N ATOM 875 CA SER A 57 -3.391 -0.690 -5.342 1.00 0.00 C ATOM 876 C SER A 57 -4.259 -1.906 -5.671 1.00 0.00 C ATOM 877 O SER A 57 -4.259 -2.891 -4.935 1.00 0.00 O ATOM 878 CB SER A 57 -2.284 -0.530 -6.386 1.00 0.00 C ATOM 879 OG SER A 57 -2.705 -0.957 -7.679 1.00 0.00 O ATOM 0 H SER A 57 -2.594 -1.778 -3.738 1.00 0.00 H new ATOM 0 HA SER A 57 -4.009 0.208 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.976 0.515 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.411 -1.106 -6.080 1.00 0.00 H new ATOM 0 HG SER A 57 -1.971 -0.838 -8.318 1.00 0.00 H new ATOM 885 N ASP A 58 -4.980 -1.796 -6.778 1.00 0.00 N ATOM 886 CA ASP A 58 -5.852 -2.874 -7.213 1.00 0.00 C ATOM 887 C ASP A 58 -5.119 -3.729 -8.249 1.00 0.00 C ATOM 888 O ASP A 58 -3.931 -3.527 -8.498 1.00 0.00 O ATOM 889 CB ASP A 58 -7.122 -2.325 -7.865 1.00 0.00 C ATOM 890 CG ASP A 58 -8.426 -2.956 -7.373 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.458 -3.339 -6.185 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.362 -3.041 -8.198 1.00 0.00 O ATOM 0 H ASP A 58 -4.978 -0.977 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.123 -3.464 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.167 -1.250 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.050 -2.469 -8.943 1.00 0.00 H new ATOM 897 N PHE A 59 -5.858 -4.665 -8.826 1.00 0.00 N ATOM 898 CA PHE A 59 -5.293 -5.552 -9.829 1.00 0.00 C ATOM 899 C PHE A 59 -5.948 -5.323 -11.193 1.00 0.00 C ATOM 900 O PHE A 59 -5.847 -6.165 -12.083 1.00 0.00 O ATOM 901 CB PHE A 59 -5.581 -6.984 -9.373 1.00 0.00 C ATOM 902 CG PHE A 59 -6.989 -7.187 -8.812 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.019 -6.423 -9.265 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.212 -8.133 -7.860 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.326 -6.612 -8.743 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.520 -8.323 -7.339 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.549 -7.557 -7.792 1.00 0.00 C ATOM 0 H PHE A 59 -6.843 -4.829 -8.618 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.224 -5.365 -9.932 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.436 -7.659 -10.217 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.854 -7.265 -8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.843 -5.673 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.394 -8.740 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.143 -6.004 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.697 -9.075 -6.584 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.543 -7.700 -7.396 1.00 0.00 H new ATOM 917 N ASN A 60 -6.602 -4.178 -11.315 1.00 0.00 N ATOM 918 CA ASN A 60 -7.273 -3.827 -12.555 1.00 0.00 C ATOM 919 C ASN A 60 -6.250 -3.798 -13.692 1.00 0.00 C ATOM 920 O ASN A 60 -6.124 -4.763 -14.444 1.00 0.00 O ATOM 921 CB ASN A 60 -7.915 -2.442 -12.462 1.00 0.00 C ATOM 922 CG ASN A 60 -9.441 -2.540 -12.501 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.127 -2.356 -11.509 1.00 0.00 O ATOM 924 ND2 ASN A 60 -9.933 -2.842 -13.700 1.00 0.00 N ATOM 0 H ASN A 60 -6.682 -3.481 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.047 -4.571 -12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.602 -1.954 -11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.566 -1.820 -13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.941 -2.932 -13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.302 -2.983 -14.489 1.00 0.00 H new ATOM 931 N MET A 61 -5.543 -2.681 -13.782 1.00 0.00 N ATOM 932 CA MET A 61 -4.535 -2.514 -14.815 1.00 0.00 C ATOM 933 C MET A 61 -3.512 -1.450 -14.414 1.00 0.00 C ATOM 934 O MET A 61 -3.210 -0.549 -15.196 1.00 0.00 O ATOM 935 CB MET A 61 -5.209 -2.107 -16.126 1.00 0.00 C ATOM 936 CG MET A 61 -6.692 -2.484 -16.120 1.00 0.00 C ATOM 937 SD MET A 61 -7.489 -1.850 -17.586 1.00 0.00 S ATOM 938 CE MET A 61 -7.843 -3.380 -18.434 1.00 0.00 C ATOM 0 H MET A 61 -5.648 -1.883 -13.156 1.00 0.00 H new ATOM 0 HA MET A 61 -4.014 -3.462 -14.945 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.104 -1.032 -16.275 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.709 -2.595 -16.963 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.800 -3.568 -16.077 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.175 -2.080 -15.230 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.345 -3.165 -19.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.912 -3.911 -18.631 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.489 -4.000 -17.812 1.00 0.00 H new ATOM 948 N PRO A 62 -2.993 -1.591 -13.165 1.00 0.00 N ATOM 949 CA PRO A 62 -2.009 -0.653 -12.652 1.00 0.00 C ATOM 950 C PRO A 62 -0.638 -0.894 -13.286 1.00 0.00 C ATOM 951 O PRO A 62 -0.204 -2.038 -13.422 1.00 0.00 O ATOM 952 CB PRO A 62 -2.012 -0.865 -11.146 1.00 0.00 C ATOM 953 CG PRO A 62 -2.651 -2.226 -10.918 1.00 0.00 C ATOM 954 CD PRO A 62 -3.326 -2.647 -12.212 1.00 0.00 C ATOM 0 HA PRO A 62 -2.247 0.382 -12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.999 -0.837 -10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.575 -0.080 -10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.897 -2.957 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.378 -2.175 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.961 -3.616 -12.552 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.405 -2.739 -12.084 1.00 0.00 H new ATOM 962 N LYS A 63 0.007 0.202 -13.658 1.00 0.00 N ATOM 963 CA LYS A 63 1.320 0.124 -14.275 1.00 0.00 C ATOM 964 C LYS A 63 2.367 -0.179 -13.201 1.00 0.00 C ATOM 965 O LYS A 63 3.465 -0.639 -13.512 1.00 0.00 O ATOM 966 CB LYS A 63 1.612 1.395 -15.076 1.00 0.00 C ATOM 967 CG LYS A 63 0.816 1.415 -16.382 1.00 0.00 C ATOM 968 CD LYS A 63 1.136 0.187 -17.238 1.00 0.00 C ATOM 969 CE LYS A 63 1.083 0.527 -18.729 1.00 0.00 C ATOM 970 NZ LYS A 63 0.550 -0.617 -19.502 1.00 0.00 N ATOM 0 H LYS A 63 -0.355 1.149 -13.544 1.00 0.00 H new ATOM 0 HA LYS A 63 1.354 -0.694 -14.994 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.360 2.271 -14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.678 1.454 -15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.251 1.441 -16.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.048 2.322 -16.940 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.126 -0.190 -16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.425 -0.609 -17.018 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.455 1.404 -18.886 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.081 0.781 -19.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.520 -0.370 -20.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.165 -1.445 -19.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.411 -0.841 -19.172 1.00 0.00 H new ATOM 984 N MET A 64 1.989 0.090 -11.960 1.00 0.00 N ATOM 985 CA MET A 64 2.882 -0.147 -10.838 1.00 0.00 C ATOM 986 C MET A 64 2.141 -0.825 -9.683 1.00 0.00 C ATOM 987 O MET A 64 1.728 -0.161 -8.732 1.00 0.00 O ATOM 988 CB MET A 64 3.468 1.183 -10.360 1.00 0.00 C ATOM 989 CG MET A 64 4.965 1.052 -10.078 1.00 0.00 C ATOM 990 SD MET A 64 5.838 0.657 -11.585 1.00 0.00 S ATOM 991 CE MET A 64 7.521 0.880 -11.035 1.00 0.00 C ATOM 0 H MET A 64 1.077 0.470 -11.707 1.00 0.00 H new ATOM 0 HA MET A 64 3.684 -0.807 -11.169 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.303 1.950 -11.116 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.951 1.509 -9.457 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.348 1.983 -9.660 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.137 0.274 -9.334 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.155 1.113 -11.890 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.564 1.699 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.873 -0.036 -10.561 1.00 0.00 H new ATOM 1001 N ASP A 65 1.996 -2.136 -9.803 1.00 0.00 N ATOM 1002 CA ASP A 65 1.313 -2.909 -8.780 1.00 0.00 C ATOM 1003 C ASP A 65 2.248 -3.107 -7.586 1.00 0.00 C ATOM 1004 O ASP A 65 3.420 -2.736 -7.642 1.00 0.00 O ATOM 1005 CB ASP A 65 0.920 -4.291 -9.307 1.00 0.00 C ATOM 1006 CG ASP A 65 0.100 -5.144 -8.335 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.683 -4.540 -7.572 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.277 -6.381 -8.378 1.00 0.00 O ATOM 0 H ASP A 65 2.340 -2.682 -10.593 1.00 0.00 H new ATOM 0 HA ASP A 65 0.415 -2.364 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.349 -4.164 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.827 -4.835 -9.568 1.00 0.00 H new ATOM 1013 N GLY A 66 1.696 -3.692 -6.533 1.00 0.00 N ATOM 1014 CA GLY A 66 2.467 -3.944 -5.327 1.00 0.00 C ATOM 1015 C GLY A 66 3.922 -4.274 -5.665 1.00 0.00 C ATOM 1016 O GLY A 66 4.837 -3.572 -5.240 1.00 0.00 O ATOM 0 H GLY A 66 0.724 -3.999 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.430 -3.069 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.022 -4.771 -4.773 1.00 0.00 H new ATOM 1020 N LEU A 67 4.089 -5.346 -6.427 1.00 0.00 N ATOM 1021 CA LEU A 67 5.417 -5.778 -6.827 1.00 0.00 C ATOM 1022 C LEU A 67 6.124 -4.634 -7.556 1.00 0.00 C ATOM 1023 O LEU A 67 7.292 -4.354 -7.293 1.00 0.00 O ATOM 1024 CB LEU A 67 5.337 -7.071 -7.642 1.00 0.00 C ATOM 1025 CG LEU A 67 4.759 -8.287 -6.916 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.449 -9.575 -7.371 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.829 -8.104 -5.399 1.00 0.00 C ATOM 0 H LEU A 67 3.327 -5.927 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 67 6.019 -6.017 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.733 -6.881 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.340 -7.322 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 67 3.705 -8.375 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.020 -10.425 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.304 -9.706 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.515 -9.513 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.412 -8.983 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.868 -7.977 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.257 -7.222 -5.112 1.00 0.00 H new ATOM 1039 N GLY A 68 5.385 -4.004 -8.458 1.00 0.00 N ATOM 1040 CA GLY A 68 5.927 -2.897 -9.227 1.00 0.00 C ATOM 1041 C GLY A 68 6.514 -1.824 -8.306 1.00 0.00 C ATOM 1042 O GLY A 68 7.585 -1.285 -8.580 1.00 0.00 O ATOM 0 H GLY A 68 4.416 -4.239 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.700 -3.263 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.143 -2.461 -9.846 1.00 0.00 H new ATOM 1046 N LEU A 69 5.787 -1.549 -7.234 1.00 0.00 N ATOM 1047 CA LEU A 69 6.223 -0.551 -6.271 1.00 0.00 C ATOM 1048 C LEU A 69 7.529 -1.011 -5.622 1.00 0.00 C ATOM 1049 O LEU A 69 8.465 -0.225 -5.477 1.00 0.00 O ATOM 1050 CB LEU A 69 5.108 -0.255 -5.265 1.00 0.00 C ATOM 1051 CG LEU A 69 5.060 1.173 -4.718 1.00 0.00 C ATOM 1052 CD1 LEU A 69 6.471 1.721 -4.493 1.00 0.00 C ATOM 1053 CD2 LEU A 69 4.231 2.081 -5.628 1.00 0.00 C ATOM 0 H LEU A 69 4.899 -1.999 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 69 6.431 0.395 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.151 -0.474 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.212 -0.941 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 69 4.564 1.151 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.409 2.737 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.997 1.090 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.014 1.727 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.213 3.090 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.676 2.103 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.213 1.698 -5.694 1.00 0.00 H new ATOM 1065 N LEU A 70 7.552 -2.282 -5.249 1.00 0.00 N ATOM 1066 CA LEU A 70 8.730 -2.856 -4.620 1.00 0.00 C ATOM 1067 C LEU A 70 9.941 -2.654 -5.532 1.00 0.00 C ATOM 1068 O LEU A 70 11.028 -2.323 -5.062 1.00 0.00 O ATOM 1069 CB LEU A 70 8.479 -4.318 -4.246 1.00 0.00 C ATOM 1070 CG LEU A 70 9.656 -5.274 -4.447 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.748 -5.731 -5.904 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.963 -4.644 -3.960 1.00 0.00 C ATOM 0 H LEU A 70 6.774 -2.931 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 70 8.948 -2.344 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.179 -4.358 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.636 -4.683 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 70 9.482 -6.163 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.593 -6.410 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.828 -6.246 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.888 -4.864 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.784 -5.344 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.157 -3.729 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.881 -4.410 -2.899 1.00 0.00 H new ATOM 1084 N GLN A 71 9.712 -2.861 -6.821 1.00 0.00 N ATOM 1085 CA GLN A 71 10.771 -2.706 -7.804 1.00 0.00 C ATOM 1086 C GLN A 71 11.253 -1.255 -7.839 1.00 0.00 C ATOM 1087 O GLN A 71 12.439 -0.995 -8.036 1.00 0.00 O ATOM 1088 CB GLN A 71 10.305 -3.164 -9.187 1.00 0.00 C ATOM 1089 CG GLN A 71 10.181 -4.688 -9.248 1.00 0.00 C ATOM 1090 CD GLN A 71 10.724 -5.231 -10.571 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.195 -4.499 -11.425 1.00 0.00 O ATOM 1092 NE2 GLN A 71 10.632 -6.552 -10.692 1.00 0.00 N ATOM 0 H GLN A 71 8.808 -3.135 -7.207 1.00 0.00 H new ATOM 0 HA GLN A 71 11.609 -3.339 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.343 -2.708 -9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.011 -2.823 -9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.727 -5.134 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.136 -4.976 -9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.226 -7.106 -9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.967 -7.011 -11.539 1.00 0.00 H new ATOM 1101 N ALA A 72 10.308 -0.346 -7.646 1.00 0.00 N ATOM 1102 CA ALA A 72 10.621 1.073 -7.656 1.00 0.00 C ATOM 1103 C ALA A 72 11.416 1.423 -6.395 1.00 0.00 C ATOM 1104 O ALA A 72 12.419 2.131 -6.467 1.00 0.00 O ATOM 1105 CB ALA A 72 9.327 1.881 -7.771 1.00 0.00 C ATOM 0 H ALA A 72 9.325 -0.565 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 72 11.239 1.324 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.562 2.945 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.814 1.616 -8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.682 1.658 -6.921 1.00 0.00 H new ATOM 1111 N VAL A 73 10.937 0.910 -5.271 1.00 0.00 N ATOM 1112 CA VAL A 73 11.591 1.160 -3.997 1.00 0.00 C ATOM 1113 C VAL A 73 13.054 0.719 -4.085 1.00 0.00 C ATOM 1114 O VAL A 73 13.933 1.358 -3.509 1.00 0.00 O ATOM 1115 CB VAL A 73 10.824 0.465 -2.871 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.314 0.538 -3.110 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.283 -0.985 -2.707 1.00 0.00 C ATOM 0 H VAL A 73 10.105 0.323 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 73 11.586 2.225 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 73 11.043 0.992 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.792 0.036 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.002 1.582 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.071 0.048 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.721 -1.455 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.109 -1.529 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.346 -1.005 -2.469 1.00 0.00 H new ATOM 1127 N ARG A 74 13.268 -0.370 -4.809 1.00 0.00 N ATOM 1128 CA ARG A 74 14.609 -0.903 -4.979 1.00 0.00 C ATOM 1129 C ARG A 74 15.510 0.131 -5.656 1.00 0.00 C ATOM 1130 O ARG A 74 16.734 0.022 -5.605 1.00 0.00 O ATOM 1131 CB ARG A 74 14.590 -2.181 -5.819 1.00 0.00 C ATOM 1132 CG ARG A 74 14.426 -3.418 -4.934 1.00 0.00 C ATOM 1133 CD ARG A 74 14.053 -4.645 -5.768 1.00 0.00 C ATOM 1134 NE ARG A 74 15.275 -5.279 -6.311 1.00 0.00 N ATOM 1135 CZ ARG A 74 16.177 -5.931 -5.565 1.00 0.00 C ATOM 1136 NH1 ARG A 74 16.001 -6.038 -4.241 1.00 0.00 N ATOM 1137 NH2 ARG A 74 17.257 -6.474 -6.142 1.00 0.00 N ATOM 0 H ARG A 74 12.536 -0.897 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 74 15.001 -1.138 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.773 -2.134 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.515 -2.258 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.354 -3.609 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.655 -3.234 -4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.505 -5.359 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.392 -4.353 -6.584 1.00 0.00 H new ATOM 0 HE ARG A 74 15.441 -5.216 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.180 -5.623 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.688 -6.535 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.393 -6.391 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.944 -6.970 -5.574 1.00 0.00 H new ATOM 1151 N ALA A 75 14.870 1.112 -6.275 1.00 0.00 N ATOM 1152 CA ALA A 75 15.598 2.166 -6.961 1.00 0.00 C ATOM 1153 C ALA A 75 15.559 3.440 -6.116 1.00 0.00 C ATOM 1154 O ALA A 75 16.416 4.312 -6.260 1.00 0.00 O ATOM 1155 CB ALA A 75 15.004 2.372 -8.356 1.00 0.00 C ATOM 0 H ALA A 75 13.855 1.199 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 75 16.644 1.889 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.550 3.163 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.083 1.446 -8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.955 2.654 -8.267 1.00 0.00 H new ATOM 1161 N ASN A 76 14.558 3.510 -5.253 1.00 0.00 N ATOM 1162 CA ASN A 76 14.396 4.664 -4.383 1.00 0.00 C ATOM 1163 C ASN A 76 14.126 4.187 -2.956 1.00 0.00 C ATOM 1164 O ASN A 76 13.090 3.581 -2.684 1.00 0.00 O ATOM 1165 CB ASN A 76 13.213 5.526 -4.827 1.00 0.00 C ATOM 1166 CG ASN A 76 13.539 7.015 -4.694 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.687 7.425 -4.665 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.467 7.798 -4.616 1.00 0.00 N ATOM 0 H ASN A 76 13.849 2.786 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 76 15.311 5.255 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.960 5.297 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.337 5.287 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.579 8.808 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.533 7.389 -4.646 1.00 0.00 H new ATOM 1175 N PRO A 77 15.100 4.488 -2.055 1.00 0.00 N ATOM 1176 CA PRO A 77 14.977 4.097 -0.661 1.00 0.00 C ATOM 1177 C PRO A 77 13.975 4.991 0.073 1.00 0.00 C ATOM 1178 O PRO A 77 13.650 4.743 1.233 1.00 0.00 O ATOM 1179 CB PRO A 77 16.385 4.198 -0.099 1.00 0.00 C ATOM 1180 CG PRO A 77 17.158 5.080 -1.065 1.00 0.00 C ATOM 1181 CD PRO A 77 16.340 5.205 -2.340 1.00 0.00 C ATOM 0 HA PRO A 77 14.585 3.087 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.376 4.630 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.844 3.213 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.334 6.062 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.135 4.646 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.146 6.249 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.863 4.769 -3.191 1.00 0.00 H new ATOM 1189 N ALA A 78 13.514 6.013 -0.634 1.00 0.00 N ATOM 1190 CA ALA A 78 12.557 6.945 -0.065 1.00 0.00 C ATOM 1191 C ALA A 78 11.205 6.246 0.097 1.00 0.00 C ATOM 1192 O ALA A 78 10.410 6.616 0.959 1.00 0.00 O ATOM 1193 CB ALA A 78 12.467 8.190 -0.950 1.00 0.00 C ATOM 0 H ALA A 78 13.786 6.215 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 78 12.881 7.271 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.748 8.889 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.446 8.666 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.143 7.903 -1.950 1.00 0.00 H new ATOM 1199 N THR A 79 10.987 5.248 -0.747 1.00 0.00 N ATOM 1200 CA THR A 79 9.745 4.494 -0.709 1.00 0.00 C ATOM 1201 C THR A 79 10.003 3.067 -0.219 1.00 0.00 C ATOM 1202 O THR A 79 9.102 2.230 -0.235 1.00 0.00 O ATOM 1203 CB THR A 79 9.113 4.554 -2.100 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.812 4.001 -1.915 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.785 3.600 -3.091 1.00 0.00 C ATOM 0 H THR A 79 11.649 4.944 -1.461 1.00 0.00 H new ATOM 0 HA THR A 79 9.041 4.926 0.002 1.00 0.00 H new ATOM 0 HB THR A 79 9.171 5.574 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.882 3.161 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.298 3.682 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.839 3.861 -3.190 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.698 2.576 -2.727 1.00 0.00 H new ATOM 1213 N LYS A 80 11.237 2.834 0.205 1.00 0.00 N ATOM 1214 CA LYS A 80 11.623 1.523 0.697 1.00 0.00 C ATOM 1215 C LYS A 80 11.031 1.313 2.092 1.00 0.00 C ATOM 1216 O LYS A 80 11.005 0.191 2.597 1.00 0.00 O ATOM 1217 CB LYS A 80 13.144 1.359 0.643 1.00 0.00 C ATOM 1218 CG LYS A 80 13.821 2.142 1.770 1.00 0.00 C ATOM 1219 CD LYS A 80 14.568 1.202 2.718 1.00 0.00 C ATOM 1220 CE LYS A 80 13.590 0.342 3.522 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.215 -0.869 2.759 1.00 0.00 N ATOM 0 H LYS A 80 11.982 3.531 0.218 1.00 0.00 H new ATOM 0 HA LYS A 80 11.217 0.740 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.402 0.303 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.517 1.706 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.517 2.867 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.073 2.706 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.237 0.559 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.190 1.784 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.044 0.055 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.697 0.921 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.220 -1.694 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.263 -0.746 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.898 -1.020 1.989 1.00 0.00 H new ATOM 1235 N LYS A 81 10.570 2.409 2.677 1.00 0.00 N ATOM 1236 CA LYS A 81 9.980 2.358 4.003 1.00 0.00 C ATOM 1237 C LYS A 81 8.456 2.421 3.881 1.00 0.00 C ATOM 1238 O LYS A 81 7.754 2.551 4.883 1.00 0.00 O ATOM 1239 CB LYS A 81 10.570 3.452 4.894 1.00 0.00 C ATOM 1240 CG LYS A 81 10.132 4.841 4.423 1.00 0.00 C ATOM 1241 CD LYS A 81 11.105 5.917 4.908 1.00 0.00 C ATOM 1242 CE LYS A 81 11.674 6.712 3.729 1.00 0.00 C ATOM 1243 NZ LYS A 81 10.728 7.771 3.314 1.00 0.00 N ATOM 0 H LYS A 81 10.593 3.338 2.256 1.00 0.00 H new ATOM 0 HA LYS A 81 10.223 1.415 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.252 3.297 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.658 3.387 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.077 4.859 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.131 5.056 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.594 6.592 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.919 5.453 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.628 7.158 4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.870 6.042 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.476 7.639 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.869 7.717 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.173 8.703 3.439 1.00 0.00 H new ATOM 1257 N ALA A 82 7.989 2.325 2.646 1.00 0.00 N ATOM 1258 CA ALA A 82 6.560 2.369 2.380 1.00 0.00 C ATOM 1259 C ALA A 82 6.043 0.945 2.159 1.00 0.00 C ATOM 1260 O ALA A 82 6.566 0.215 1.318 1.00 0.00 O ATOM 1261 CB ALA A 82 6.292 3.279 1.180 1.00 0.00 C ATOM 0 H ALA A 82 8.574 2.217 1.817 1.00 0.00 H new ATOM 0 HA ALA A 82 6.023 2.786 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.221 3.312 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.652 4.285 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.812 2.890 0.305 1.00 0.00 H new ATOM 1267 N ALA A 83 5.024 0.595 2.928 1.00 0.00 N ATOM 1268 CA ALA A 83 4.430 -0.729 2.826 1.00 0.00 C ATOM 1269 C ALA A 83 3.309 -0.701 1.786 1.00 0.00 C ATOM 1270 O ALA A 83 2.352 0.060 1.920 1.00 0.00 O ATOM 1271 CB ALA A 83 3.936 -1.173 4.205 1.00 0.00 C ATOM 0 H ALA A 83 4.594 1.204 3.624 1.00 0.00 H new ATOM 0 HA ALA A 83 5.169 -1.458 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.491 -2.165 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.775 -1.204 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.190 -0.467 4.569 1.00 0.00 H new ATOM 1277 N PHE A 84 3.465 -1.540 0.772 1.00 0.00 N ATOM 1278 CA PHE A 84 2.478 -1.622 -0.291 1.00 0.00 C ATOM 1279 C PHE A 84 1.522 -2.795 -0.061 1.00 0.00 C ATOM 1280 O PHE A 84 1.908 -3.811 0.513 1.00 0.00 O ATOM 1281 CB PHE A 84 3.243 -1.850 -1.595 1.00 0.00 C ATOM 1282 CG PHE A 84 4.765 -1.853 -1.432 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.427 -0.685 -1.215 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.455 -3.022 -1.504 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.839 -0.687 -1.063 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.867 -3.025 -1.353 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.529 -1.857 -1.135 1.00 0.00 C ATOM 0 H PHE A 84 4.261 -2.169 0.664 1.00 0.00 H new ATOM 0 HA PHE A 84 1.887 -0.707 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.932 -2.802 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.966 -1.073 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.879 0.244 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.929 -3.949 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.365 0.240 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.415 -3.954 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.603 -1.859 -1.019 1.00 0.00 H new ATOM 1297 N ILE A 85 0.294 -2.613 -0.524 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.721 -3.643 -0.377 1.00 0.00 C ATOM 1299 C ILE A 85 -1.235 -4.047 -1.760 1.00 0.00 C ATOM 1300 O ILE A 85 -1.486 -3.191 -2.607 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.823 -3.178 0.578 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.634 -3.784 1.971 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.208 -3.480 0.005 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.272 -2.705 2.994 1.00 0.00 C ATOM 0 H ILE A 85 -0.021 -1.768 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.294 -4.537 0.078 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.748 -2.096 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.549 -4.290 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.848 -4.539 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.973 -3.140 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.329 -2.962 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.311 -4.554 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.143 -3.162 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.343 -2.218 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.071 -1.965 3.041 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.378 -5.350 -1.945 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.858 -5.879 -3.211 1.00 0.00 C ATOM 1318 C ILE A 86 -2.919 -6.949 -2.943 1.00 0.00 C ATOM 1319 O ILE A 86 -2.606 -8.022 -2.430 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.689 -6.372 -4.065 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.172 -7.328 -5.157 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.400 -7.001 -3.192 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.152 -6.630 -6.102 1.00 0.00 C ATOM 0 H ILE A 86 -1.170 -6.056 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.338 -5.093 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.244 -5.512 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.318 -7.701 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.654 -8.193 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.220 -7.343 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.772 -6.260 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.015 -7.848 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.480 -7.332 -6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.016 -6.280 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.659 -5.780 -6.574 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.151 -6.619 -3.302 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.258 -7.539 -3.106 1.00 0.00 C ATOM 1337 C LEU A 87 -5.486 -8.335 -4.393 1.00 0.00 C ATOM 1338 O LEU A 87 -5.585 -7.760 -5.476 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.500 -6.786 -2.622 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.640 -6.654 -3.632 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.183 -5.896 -4.879 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.230 -8.023 -3.977 1.00 0.00 C ATOM 0 H LEU A 87 -4.407 -5.728 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.022 -8.258 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.884 -7.290 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.197 -5.785 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.436 -6.068 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.013 -5.816 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.850 -4.897 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.360 -6.433 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.039 -7.900 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.454 -8.656 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.618 -8.490 -3.072 1.00 0.00 H new ATOM 1354 N THR A 88 -5.564 -9.649 -4.231 1.00 0.00 N ATOM 1355 CA THR A 88 -5.778 -10.531 -5.365 1.00 0.00 C ATOM 1356 C THR A 88 -6.494 -11.807 -4.920 1.00 0.00 C ATOM 1357 O THR A 88 -6.539 -12.116 -3.731 1.00 0.00 O ATOM 1358 CB THR A 88 -4.422 -10.793 -6.023 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.635 -11.968 -6.801 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.351 -11.206 -5.012 1.00 0.00 C ATOM 0 H THR A 88 -5.483 -10.123 -3.331 1.00 0.00 H new ATOM 0 HA THR A 88 -6.431 -10.071 -6.106 1.00 0.00 H new ATOM 0 HB THR A 88 -4.096 -9.897 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.310 -11.819 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.408 -11.380 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.219 -10.412 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.661 -12.121 -4.507 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.037 -12.516 -5.899 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.750 -13.751 -5.623 1.00 0.00 C ATOM 1370 C ALA A 89 -6.739 -14.875 -5.386 1.00 0.00 C ATOM 1371 O ALA A 89 -6.954 -16.008 -5.814 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.704 -14.059 -6.779 1.00 0.00 C ATOM 0 H ALA A 89 -6.997 -12.258 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.353 -13.653 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.239 -14.986 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.419 -13.244 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.134 -14.167 -7.702 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.659 -14.523 -4.706 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.615 -15.488 -4.408 1.00 0.00 C ATOM 1380 C GLN A 90 -4.351 -15.535 -2.901 1.00 0.00 C ATOM 1381 O GLN A 90 -4.508 -16.580 -2.272 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.333 -15.165 -5.178 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.449 -15.597 -6.640 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.624 -14.386 -7.558 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.745 -13.552 -7.704 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.805 -14.334 -8.167 1.00 0.00 N ATOM 0 H GLN A 90 -5.484 -13.582 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.955 -16.472 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.133 -14.095 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.487 -15.670 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.557 -16.152 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.297 -16.272 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.497 -15.065 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.019 -13.563 -8.800 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.954 -14.390 -2.365 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.668 -14.288 -0.945 1.00 0.00 C ATOM 1397 C GLY A 91 -2.841 -15.483 -0.464 1.00 0.00 C ATOM 1398 O GLY A 91 -3.353 -16.355 0.235 1.00 0.00 O ATOM 0 H GLY A 91 -3.824 -13.525 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.127 -13.363 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.602 -14.239 -0.385 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.577 -15.484 -0.860 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.675 -16.557 -0.478 1.00 0.00 C ATOM 1404 C ASP A 92 0.562 -15.962 0.198 1.00 0.00 C ATOM 1405 O ASP A 92 1.299 -15.190 -0.415 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.209 -17.347 -1.703 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.583 -18.830 -1.697 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.225 -19.249 -0.710 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.219 -19.512 -2.680 1.00 0.00 O ATOM 0 H ASP A 92 -1.156 -14.759 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.211 -17.222 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.630 -16.885 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.875 -17.261 -1.781 1.00 0.00 H new ATOM 1414 N ARG A 93 0.752 -16.343 1.453 1.00 0.00 N ATOM 1415 CA ARG A 93 1.887 -15.857 2.219 1.00 0.00 C ATOM 1416 C ARG A 93 3.193 -16.154 1.480 1.00 0.00 C ATOM 1417 O ARG A 93 4.208 -15.501 1.718 1.00 0.00 O ATOM 1418 CB ARG A 93 1.933 -16.503 3.604 1.00 0.00 C ATOM 1419 CG ARG A 93 0.651 -16.217 4.387 1.00 0.00 C ATOM 1420 CD ARG A 93 0.743 -14.878 5.121 1.00 0.00 C ATOM 1421 NE ARG A 93 -0.037 -14.934 6.378 1.00 0.00 N ATOM 1422 CZ ARG A 93 0.367 -15.575 7.484 1.00 0.00 C ATOM 1423 NH1 ARG A 93 1.542 -16.217 7.496 1.00 0.00 N ATOM 1424 NH2 ARG A 93 -0.407 -15.572 8.578 1.00 0.00 N ATOM 0 H ARG A 93 0.139 -16.983 1.958 1.00 0.00 H new ATOM 0 HA ARG A 93 1.771 -14.780 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.068 -17.580 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.793 -16.125 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.200 -16.205 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.473 -17.018 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.785 -14.645 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.365 -14.078 4.484 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.937 -14.455 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.131 -16.219 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.848 -16.704 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.302 -15.083 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.101 -16.059 9.420 1.00 0.00 H new ATOM 1438 N ALA A 94 3.125 -17.141 0.599 1.00 0.00 N ATOM 1439 CA ALA A 94 4.290 -17.533 -0.177 1.00 0.00 C ATOM 1440 C ALA A 94 4.716 -16.369 -1.073 1.00 0.00 C ATOM 1441 O ALA A 94 5.892 -16.011 -1.116 1.00 0.00 O ATOM 1442 CB ALA A 94 3.969 -18.797 -0.977 1.00 0.00 C ATOM 0 H ALA A 94 2.282 -17.681 0.405 1.00 0.00 H new ATOM 0 HA ALA A 94 5.128 -17.767 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.843 -19.091 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.701 -19.602 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.135 -18.600 -1.650 1.00 0.00 H new ATOM 1448 N LEU A 95 3.737 -15.809 -1.768 1.00 0.00 N ATOM 1449 CA LEU A 95 3.996 -14.693 -2.661 1.00 0.00 C ATOM 1450 C LEU A 95 4.388 -13.465 -1.836 1.00 0.00 C ATOM 1451 O LEU A 95 5.229 -12.672 -2.256 1.00 0.00 O ATOM 1452 CB LEU A 95 2.798 -14.455 -3.584 1.00 0.00 C ATOM 1453 CG LEU A 95 2.846 -15.161 -4.940 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.740 -16.212 -5.051 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.794 -14.150 -6.087 1.00 0.00 C ATOM 0 H LEU A 95 2.762 -16.108 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 95 4.836 -14.919 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.895 -14.772 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.706 -13.383 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 95 3.798 -15.687 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.797 -16.699 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.866 -16.957 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.768 -15.730 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.830 -14.678 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.869 -13.576 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.646 -13.474 -6.015 1.00 0.00 H new ATOM 1467 N VAL A 96 3.761 -13.347 -0.674 1.00 0.00 N ATOM 1468 CA VAL A 96 4.034 -12.230 0.214 1.00 0.00 C ATOM 1469 C VAL A 96 5.501 -12.274 0.645 1.00 0.00 C ATOM 1470 O VAL A 96 6.194 -11.258 0.606 1.00 0.00 O ATOM 1471 CB VAL A 96 3.062 -12.252 1.395 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.296 -11.053 2.319 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.611 -12.296 0.912 1.00 0.00 C ATOM 0 H VAL A 96 3.065 -14.007 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 96 3.876 -11.283 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 96 3.251 -13.160 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.592 -11.092 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.315 -11.084 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.147 -10.129 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.942 -12.311 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.403 -11.415 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.454 -13.194 0.314 1.00 0.00 H new ATOM 1483 N GLN A 97 5.931 -13.461 1.047 1.00 0.00 N ATOM 1484 CA GLN A 97 7.303 -13.651 1.486 1.00 0.00 C ATOM 1485 C GLN A 97 8.255 -13.597 0.289 1.00 0.00 C ATOM 1486 O GLN A 97 9.407 -13.187 0.425 1.00 0.00 O ATOM 1487 CB GLN A 97 7.457 -14.967 2.250 1.00 0.00 C ATOM 1488 CG GLN A 97 7.480 -14.725 3.761 1.00 0.00 C ATOM 1489 CD GLN A 97 8.559 -15.573 4.436 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.282 -16.528 5.142 1.00 0.00 O ATOM 1491 NE2 GLN A 97 9.801 -15.170 4.182 1.00 0.00 N ATOM 0 H GLN A 97 5.353 -14.301 1.078 1.00 0.00 H new ATOM 0 HA GLN A 97 7.561 -12.841 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.634 -15.636 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.378 -15.464 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.664 -13.669 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.505 -14.965 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.962 -14.361 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.592 -15.670 4.588 1.00 0.00 H new ATOM 1500 N LYS A 98 7.738 -14.016 -0.857 1.00 0.00 N ATOM 1501 CA LYS A 98 8.527 -14.021 -2.077 1.00 0.00 C ATOM 1502 C LYS A 98 8.937 -12.587 -2.420 1.00 0.00 C ATOM 1503 O LYS A 98 10.121 -12.299 -2.588 1.00 0.00 O ATOM 1504 CB LYS A 98 7.772 -14.731 -3.202 1.00 0.00 C ATOM 1505 CG LYS A 98 8.727 -15.171 -4.312 1.00 0.00 C ATOM 1506 CD LYS A 98 8.044 -15.112 -5.680 1.00 0.00 C ATOM 1507 CE LYS A 98 7.558 -16.497 -6.110 1.00 0.00 C ATOM 1508 NZ LYS A 98 8.064 -16.829 -7.461 1.00 0.00 N ATOM 0 H LYS A 98 6.782 -14.354 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 98 9.446 -14.590 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.249 -15.600 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.014 -14.064 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.608 -14.529 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.072 -16.186 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.200 -14.423 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.740 -14.721 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.897 -17.246 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.468 -16.523 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.724 -17.773 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.720 -16.124 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.104 -16.824 -7.453 1.00 0.00 H new ATOM 1522 N ALA A 99 7.935 -11.726 -2.513 1.00 0.00 N ATOM 1523 CA ALA A 99 8.175 -10.329 -2.833 1.00 0.00 C ATOM 1524 C ALA A 99 8.769 -9.626 -1.611 1.00 0.00 C ATOM 1525 O ALA A 99 9.764 -8.910 -1.725 1.00 0.00 O ATOM 1526 CB ALA A 99 6.871 -9.681 -3.301 1.00 0.00 C ATOM 0 H ALA A 99 6.954 -11.969 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 99 8.894 -10.240 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.051 -8.633 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.505 -10.199 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.126 -9.749 -2.508 1.00 0.00 H new ATOM 1532 N ALA A 100 8.135 -9.853 -0.470 1.00 0.00 N ATOM 1533 CA ALA A 100 8.588 -9.250 0.772 1.00 0.00 C ATOM 1534 C ALA A 100 10.065 -9.588 0.989 1.00 0.00 C ATOM 1535 O ALA A 100 10.790 -8.834 1.636 1.00 0.00 O ATOM 1536 CB ALA A 100 7.705 -9.730 1.926 1.00 0.00 C ATOM 0 H ALA A 100 7.311 -10.447 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 100 8.501 -8.165 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.045 -9.277 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.671 -9.440 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.769 -10.815 2.006 1.00 0.00 H new ATOM 1542 N ALA A 101 10.467 -10.723 0.435 1.00 0.00 N ATOM 1543 CA ALA A 101 11.843 -11.170 0.560 1.00 0.00 C ATOM 1544 C ALA A 101 12.634 -10.723 -0.672 1.00 0.00 C ATOM 1545 O ALA A 101 13.857 -10.599 -0.618 1.00 0.00 O ATOM 1546 CB ALA A 101 11.872 -12.688 0.750 1.00 0.00 C ATOM 0 H ALA A 101 9.863 -11.346 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 101 12.313 -10.722 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.905 -13.023 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.321 -12.952 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.410 -13.171 -0.111 1.00 0.00 H new ATOM 1552 N LEU A 102 11.904 -10.492 -1.753 1.00 0.00 N ATOM 1553 CA LEU A 102 12.521 -10.061 -2.996 1.00 0.00 C ATOM 1554 C LEU A 102 13.135 -8.673 -2.801 1.00 0.00 C ATOM 1555 O LEU A 102 14.038 -8.280 -3.537 1.00 0.00 O ATOM 1556 CB LEU A 102 11.516 -10.133 -4.147 1.00 0.00 C ATOM 1557 CG LEU A 102 12.093 -9.958 -5.553 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.987 -11.140 -5.930 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.980 -9.730 -6.578 1.00 0.00 C ATOM 0 H LEU A 102 10.890 -10.595 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 102 13.333 -10.734 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.010 -11.097 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.757 -9.366 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 102 12.721 -9.067 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.384 -10.990 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.812 -11.213 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.403 -12.060 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.417 -9.609 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.307 -10.587 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.422 -8.831 -6.315 1.00 0.00 H new ATOM 1571 N GLY A 103 12.618 -7.968 -1.805 1.00 0.00 N ATOM 1572 CA GLY A 103 13.104 -6.632 -1.504 1.00 0.00 C ATOM 1573 C GLY A 103 11.964 -5.728 -1.028 1.00 0.00 C ATOM 1574 O GLY A 103 12.204 -4.697 -0.402 1.00 0.00 O ATOM 0 H GLY A 103 11.868 -8.297 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.875 -6.686 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.568 -6.201 -2.391 1.00 0.00 H new ATOM 1578 N ALA A 104 10.748 -6.147 -1.345 1.00 0.00 N ATOM 1579 CA ALA A 104 9.570 -5.389 -0.959 1.00 0.00 C ATOM 1580 C ALA A 104 9.659 -5.041 0.529 1.00 0.00 C ATOM 1581 O ALA A 104 10.158 -5.834 1.327 1.00 0.00 O ATOM 1582 CB ALA A 104 8.312 -6.192 -1.296 1.00 0.00 C ATOM 0 H ALA A 104 10.553 -7.002 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 104 9.517 -4.453 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.429 -5.623 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.282 -6.388 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.328 -7.138 -0.754 1.00 0.00 H new ATOM 1588 N ASN A 105 9.166 -3.857 0.858 1.00 0.00 N ATOM 1589 CA ASN A 105 9.183 -3.395 2.235 1.00 0.00 C ATOM 1590 C ASN A 105 8.063 -4.087 3.014 1.00 0.00 C ATOM 1591 O ASN A 105 8.251 -4.476 4.165 1.00 0.00 O ATOM 1592 CB ASN A 105 8.949 -1.885 2.312 1.00 0.00 C ATOM 1593 CG ASN A 105 9.115 -1.377 3.745 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.208 -1.300 4.281 1.00 0.00 O ATOM 1595 ND2 ASN A 105 7.973 -1.037 4.335 1.00 0.00 N ATOM 0 H ASN A 105 8.752 -3.203 0.194 1.00 0.00 H new ATOM 0 HA ASN A 105 10.160 -3.631 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.652 -1.371 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.947 -1.650 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.978 -0.687 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.092 -1.126 3.829 1.00 0.00 H new ATOM 1602 N ASN A 106 6.921 -4.220 2.355 1.00 0.00 N ATOM 1603 CA ASN A 106 5.770 -4.858 2.971 1.00 0.00 C ATOM 1604 C ASN A 106 4.681 -5.064 1.917 1.00 0.00 C ATOM 1605 O ASN A 106 4.273 -4.117 1.247 1.00 0.00 O ATOM 1606 CB ASN A 106 5.190 -3.988 4.087 1.00 0.00 C ATOM 1607 CG ASN A 106 4.856 -4.828 5.322 1.00 0.00 C ATOM 1608 OD1 ASN A 106 4.897 -6.047 5.303 1.00 0.00 O ATOM 1609 ND2 ASN A 106 4.525 -4.111 6.391 1.00 0.00 N ATOM 0 H ASN A 106 6.768 -3.896 1.400 1.00 0.00 H new ATOM 0 HA ASN A 106 6.096 -5.810 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.905 -3.210 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.291 -3.486 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.285 -4.579 7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.511 -3.092 6.338 1.00 0.00 H new