USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -126:sc= 0.694 USER MOD Set 1.2: A 36 CYS SG : rot 147:sc= -4.15! USER MOD Set 1.3: A 56 CYS SG : rot -74:sc= 0.647 USER MOD Set 2.1: A 6 CYS SG : rot -112:sc= 2.48 USER MOD Set 2.2: A 9 CYS SG : rot -150:sc= -2.5! USER MOD Set 2.3: A 27 HIS : no HD1:sc= -1.49 K(o=-1.4,f=-4.8) USER MOD Set 2.4: A 30 CYS SG : rot 139:sc= 0.0665 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.392 K(o=0.39,f=-0.21) USER MOD Single : A 11 GLN : amide:sc= 0.0934 X(o=0.093,f=0) USER MOD Single : A 12 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2!) USER MOD Single : A 17 TYR OH : rot -107:sc= 0.0639 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.15! C(o=-4.1!,f=-16!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 102 ASN : amide:sc= 1.29 K(o=1.3,f=-4.1!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0107 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.945 -8.335 -9.004 1.00 0.00 N ATOM 22 CA LEU A 3 -15.038 -7.972 -7.927 1.00 0.00 C ATOM 23 C LEU A 3 -13.632 -7.773 -8.472 1.00 0.00 C ATOM 24 O LEU A 3 -13.423 -7.761 -9.685 1.00 0.00 O ATOM 25 CB LEU A 3 -15.026 -9.055 -6.844 1.00 0.00 C ATOM 26 CG LEU A 3 -16.322 -9.207 -6.046 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.793 -10.653 -6.075 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.122 -8.736 -4.614 1.00 0.00 C ATOM 0 HA LEU A 3 -15.386 -7.039 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.796 -10.011 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.215 -8.839 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.090 -8.585 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.716 -10.746 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.973 -10.957 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.028 -11.294 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.054 -8.851 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.342 -9.332 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.827 -7.687 -4.614 1.00 0.00 H new ATOM 40 N LEU A 4 -12.670 -7.643 -7.574 1.00 0.00 N ATOM 41 CA LEU A 4 -11.282 -7.479 -7.959 1.00 0.00 C ATOM 42 C LEU A 4 -10.378 -8.370 -7.133 1.00 0.00 C ATOM 43 O LEU A 4 -10.785 -8.907 -6.103 1.00 0.00 O ATOM 44 CB LEU A 4 -10.865 -6.034 -7.869 1.00 0.00 C ATOM 45 CG LEU A 4 -11.061 -5.400 -6.524 1.00 0.00 C ATOM 46 CD1 LEU A 4 -9.979 -4.376 -6.307 1.00 0.00 C ATOM 47 CD2 LEU A 4 -12.433 -4.764 -6.382 1.00 0.00 C ATOM 0 H LEU A 4 -12.829 -7.648 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.182 -7.787 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.812 -5.958 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.426 -5.463 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.999 -6.179 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.111 -3.908 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.004 -4.862 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.037 -3.615 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.527 -4.318 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.556 -3.991 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.202 -5.525 -6.512 1.00 0.00 H new ATOM 59 N THR A 5 -9.197 -8.618 -7.655 1.00 0.00 N ATOM 60 CA THR A 5 -8.261 -9.537 -7.024 1.00 0.00 C ATOM 61 C THR A 5 -6.948 -8.848 -6.688 1.00 0.00 C ATOM 62 O THR A 5 -6.447 -8.038 -7.466 1.00 0.00 O ATOM 63 CB THR A 5 -7.973 -10.757 -7.918 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.574 -10.583 -9.207 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.507 -12.023 -7.276 1.00 0.00 C ATOM 0 H THR A 5 -8.856 -8.196 -8.519 1.00 0.00 H new ATOM 0 HA THR A 5 -8.734 -9.876 -6.103 1.00 0.00 H new ATOM 0 HB THR A 5 -6.893 -10.846 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.382 -11.365 -9.766 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.295 -12.876 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.026 -12.171 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.584 -11.933 -7.136 1.00 0.00 H new ATOM 73 N CYS A 6 -6.428 -9.138 -5.504 1.00 0.00 N ATOM 74 CA CYS A 6 -5.206 -8.526 -5.033 1.00 0.00 C ATOM 75 C CYS A 6 -3.996 -9.317 -5.518 1.00 0.00 C ATOM 76 O CYS A 6 -4.099 -10.512 -5.796 1.00 0.00 O ATOM 77 CB CYS A 6 -5.258 -8.433 -3.505 1.00 0.00 C ATOM 78 SG CYS A 6 -3.963 -9.341 -2.609 1.00 0.00 S ATOM 0 H CYS A 6 -6.843 -9.801 -4.850 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.108 -7.519 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.199 -7.382 -3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.229 -8.799 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.498 -10.333 -1.961 1.00 0.00 H new ATOM 83 N GLY A 7 -2.889 -8.623 -5.732 1.00 0.00 N ATOM 84 CA GLY A 7 -1.706 -9.259 -6.280 1.00 0.00 C ATOM 85 C GLY A 7 -0.873 -9.961 -5.226 1.00 0.00 C ATOM 86 O GLY A 7 0.144 -10.578 -5.541 1.00 0.00 O ATOM 0 H GLY A 7 -2.787 -7.627 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.006 -9.981 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.094 -8.508 -6.779 1.00 0.00 H new ATOM 90 N GLY A 8 -1.303 -9.872 -3.976 1.00 0.00 N ATOM 91 CA GLY A 8 -0.570 -10.504 -2.897 1.00 0.00 C ATOM 92 C GLY A 8 -1.092 -11.889 -2.574 1.00 0.00 C ATOM 93 O GLY A 8 -0.334 -12.860 -2.563 1.00 0.00 O ATOM 0 H GLY A 8 -2.146 -9.374 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.484 -10.570 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.631 -9.879 -2.006 1.00 0.00 H new ATOM 97 N CYS A 9 -2.387 -11.982 -2.305 1.00 0.00 N ATOM 98 CA CYS A 9 -2.997 -13.256 -1.950 1.00 0.00 C ATOM 99 C CYS A 9 -3.909 -13.757 -3.064 1.00 0.00 C ATOM 100 O CYS A 9 -4.091 -14.965 -3.233 1.00 0.00 O ATOM 101 CB CYS A 9 -3.778 -13.124 -0.638 1.00 0.00 C ATOM 102 SG CYS A 9 -5.352 -12.217 -0.783 1.00 0.00 S ATOM 0 H CYS A 9 -3.034 -11.193 -2.326 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.200 -13.987 -1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.983 -14.122 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.149 -12.620 0.095 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.613 -11.618 0.341 1.00 0.00 H new ATOM 107 N GLN A 10 -4.501 -12.816 -3.797 1.00 0.00 N ATOM 108 CA GLN A 10 -5.410 -13.127 -4.897 1.00 0.00 C ATOM 109 C GLN A 10 -6.638 -13.905 -4.420 1.00 0.00 C ATOM 110 O GLN A 10 -7.246 -14.649 -5.188 1.00 0.00 O ATOM 111 CB GLN A 10 -4.687 -13.906 -6.001 1.00 0.00 C ATOM 112 CG GLN A 10 -5.000 -13.402 -7.398 1.00 0.00 C ATOM 113 CD GLN A 10 -3.756 -13.064 -8.195 1.00 0.00 C ATOM 114 OE1 GLN A 10 -3.508 -13.646 -9.250 1.00 0.00 O ATOM 115 NE2 GLN A 10 -2.969 -12.121 -7.704 1.00 0.00 N ATOM 0 H GLN A 10 -4.364 -11.817 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.755 -12.177 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.612 -13.846 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.962 -14.959 -5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.573 -14.160 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.631 -12.516 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.210 -11.662 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.121 -11.853 -8.204 1.00 0.00 H new ATOM 124 N GLN A 11 -7.001 -13.735 -3.153 1.00 0.00 N ATOM 125 CA GLN A 11 -8.152 -14.435 -2.587 1.00 0.00 C ATOM 126 C GLN A 11 -9.451 -13.657 -2.833 1.00 0.00 C ATOM 127 O GLN A 11 -10.454 -13.876 -2.152 1.00 0.00 O ATOM 128 CB GLN A 11 -7.943 -14.671 -1.087 1.00 0.00 C ATOM 129 CG GLN A 11 -8.246 -13.460 -0.213 1.00 0.00 C ATOM 130 CD GLN A 11 -9.124 -13.798 0.972 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.643 -14.250 2.011 1.00 0.00 O ATOM 132 NE2 GLN A 11 -10.418 -13.571 0.829 1.00 0.00 N ATOM 0 H GLN A 11 -6.517 -13.120 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.242 -15.400 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.575 -15.500 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.910 -14.976 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.309 -13.032 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.736 -12.696 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.776 -13.195 -0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.059 -13.771 1.597 1.00 0.00 H new ATOM 141 N ASN A 12 -9.410 -12.753 -3.814 1.00 0.00 N ATOM 142 CA ASN A 12 -10.557 -11.912 -4.184 1.00 0.00 C ATOM 143 C ASN A 12 -10.824 -10.848 -3.123 1.00 0.00 C ATOM 144 O ASN A 12 -11.016 -11.156 -1.944 1.00 0.00 O ATOM 145 CB ASN A 12 -11.820 -12.751 -4.424 1.00 0.00 C ATOM 146 CG ASN A 12 -12.977 -11.922 -4.958 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.751 -11.347 -4.195 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.102 -11.860 -6.276 1.00 0.00 N ATOM 0 H ASN A 12 -8.578 -12.581 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.300 -11.414 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.593 -13.549 -5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.119 -13.227 -3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.862 -11.321 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.439 -12.352 -6.875 1.00 0.00 H new ATOM 155 N ILE A 13 -10.809 -9.595 -3.541 1.00 0.00 N ATOM 156 CA ILE A 13 -11.036 -8.486 -2.635 1.00 0.00 C ATOM 157 C ILE A 13 -12.528 -8.219 -2.467 1.00 0.00 C ATOM 158 O ILE A 13 -13.145 -7.507 -3.263 1.00 0.00 O ATOM 159 CB ILE A 13 -10.331 -7.209 -3.132 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.877 -7.519 -3.491 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.395 -6.104 -2.086 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.309 -6.620 -4.565 1.00 0.00 C ATOM 0 H ILE A 13 -10.641 -9.320 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.615 -8.762 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.850 -6.857 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.264 -7.430 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.807 -8.555 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.890 -5.215 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.437 -5.866 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.904 -6.439 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.275 -6.901 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.897 -6.726 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.345 -5.584 -4.229 1.00 0.00 H new ATOM 174 N GLY A 14 -13.078 -8.741 -1.383 1.00 0.00 N ATOM 175 CA GLY A 14 -14.466 -8.499 -1.051 1.00 0.00 C ATOM 176 C GLY A 14 -14.571 -7.666 0.201 1.00 0.00 C ATOM 177 O GLY A 14 -15.557 -7.730 0.936 1.00 0.00 O ATOM 0 H GLY A 14 -12.581 -9.335 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.960 -7.988 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.983 -9.448 -0.908 1.00 0.00 H new ATOM 181 N ASP A 15 -13.481 -6.979 0.488 1.00 0.00 N ATOM 182 CA ASP A 15 -13.340 -6.187 1.701 1.00 0.00 C ATOM 183 C ASP A 15 -14.165 -4.910 1.613 1.00 0.00 C ATOM 184 O ASP A 15 -14.855 -4.670 0.622 1.00 0.00 O ATOM 185 CB ASP A 15 -11.870 -5.819 1.914 1.00 0.00 C ATOM 186 CG ASP A 15 -10.965 -7.019 2.122 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.027 -7.979 1.321 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.164 -6.997 3.080 1.00 0.00 O ATOM 0 H ASP A 15 -12.661 -6.953 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.699 -6.784 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.517 -5.254 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.791 -5.161 2.779 1.00 0.00 H new ATOM 193 N ARG A 16 -14.023 -4.051 2.611 1.00 0.00 N ATOM 194 CA ARG A 16 -14.697 -2.761 2.601 1.00 0.00 C ATOM 195 C ARG A 16 -13.745 -1.671 2.124 1.00 0.00 C ATOM 196 O ARG A 16 -14.156 -0.710 1.472 1.00 0.00 O ATOM 197 CB ARG A 16 -15.239 -2.402 3.991 1.00 0.00 C ATOM 198 CG ARG A 16 -14.491 -3.049 5.146 1.00 0.00 C ATOM 199 CD ARG A 16 -13.924 -2.006 6.095 1.00 0.00 C ATOM 200 NE ARG A 16 -12.467 -2.090 6.197 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.777 -1.768 7.289 1.00 0.00 C ATOM 202 NH1 ARG A 16 -12.409 -1.367 8.385 1.00 0.00 N ATOM 203 NH2 ARG A 16 -10.452 -1.853 7.285 1.00 0.00 N ATOM 0 H ARG A 16 -13.449 -4.223 3.436 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.540 -2.833 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.203 -1.319 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.288 -2.694 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.163 -3.711 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.682 -3.667 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.206 -1.011 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.365 -2.138 7.083 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.948 -2.415 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.427 -1.305 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.877 -1.121 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.963 -2.165 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.923 -1.606 8.121 1.00 0.00 H new ATOM 217 N TYR A 17 -12.470 -1.838 2.443 1.00 0.00 N ATOM 218 CA TYR A 17 -11.446 -0.877 2.063 1.00 0.00 C ATOM 219 C TYR A 17 -10.257 -1.623 1.468 1.00 0.00 C ATOM 220 O TYR A 17 -9.979 -2.757 1.865 1.00 0.00 O ATOM 221 CB TYR A 17 -11.014 -0.077 3.294 1.00 0.00 C ATOM 222 CG TYR A 17 -10.821 1.400 3.041 1.00 0.00 C ATOM 223 CD1 TYR A 17 -11.877 2.197 2.616 1.00 0.00 C ATOM 224 CD2 TYR A 17 -9.586 2.001 3.239 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.705 3.551 2.390 1.00 0.00 C ATOM 226 CE2 TYR A 17 -9.405 3.351 3.018 1.00 0.00 C ATOM 227 CZ TYR A 17 -10.467 4.123 2.594 1.00 0.00 C ATOM 228 OH TYR A 17 -10.288 5.472 2.376 1.00 0.00 O ATOM 0 H TYR A 17 -12.118 -2.638 2.969 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.841 -0.186 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.762 -0.205 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.081 -0.493 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.848 1.752 2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.752 1.401 3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.535 4.156 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.436 3.801 3.176 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.769 5.605 1.555 1.00 0.00 H new ATOM 238 N PHE A 18 -9.603 -1.038 0.475 1.00 0.00 N ATOM 239 CA PHE A 18 -8.501 -1.722 -0.190 1.00 0.00 C ATOM 240 C PHE A 18 -7.488 -0.741 -0.769 1.00 0.00 C ATOM 241 O PHE A 18 -7.595 0.468 -0.573 1.00 0.00 O ATOM 242 CB PHE A 18 -9.033 -2.658 -1.284 1.00 0.00 C ATOM 243 CG PHE A 18 -9.458 -1.968 -2.553 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.578 -1.148 -2.582 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.744 -2.156 -3.724 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.969 -0.532 -3.752 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.135 -1.541 -4.895 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.249 -0.732 -4.911 1.00 0.00 C ATOM 0 H PHE A 18 -9.811 -0.106 0.116 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.983 -2.317 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.260 -3.388 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.883 -3.213 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.149 -0.991 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.871 -2.792 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.839 0.107 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.567 -1.694 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.558 -0.255 -5.829 1.00 0.00 H new ATOM 258 N LEU A 19 -6.484 -1.286 -1.444 1.00 0.00 N ATOM 259 CA LEU A 19 -5.410 -0.498 -2.020 1.00 0.00 C ATOM 260 C LEU A 19 -5.125 -0.956 -3.446 1.00 0.00 C ATOM 261 O LEU A 19 -5.189 -2.141 -3.733 1.00 0.00 O ATOM 262 CB LEU A 19 -4.147 -0.673 -1.177 1.00 0.00 C ATOM 263 CG LEU A 19 -4.005 0.284 0.002 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.048 -0.287 1.039 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.527 1.645 -0.477 1.00 0.00 C ATOM 0 H LEU A 19 -6.394 -2.289 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.709 0.550 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.123 -1.695 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.279 -0.554 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.982 0.407 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.958 0.409 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.431 -1.241 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.068 -0.438 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.430 2.317 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.559 1.539 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.248 2.056 -1.183 1.00 0.00 H new ATOM 277 N LYS A 20 -4.793 -0.030 -4.331 1.00 0.00 N ATOM 278 CA LYS A 20 -4.407 -0.380 -5.695 1.00 0.00 C ATOM 279 C LYS A 20 -3.691 0.810 -6.334 1.00 0.00 C ATOM 280 O LYS A 20 -4.037 1.948 -6.018 1.00 0.00 O ATOM 281 CB LYS A 20 -5.646 -0.809 -6.512 1.00 0.00 C ATOM 282 CG LYS A 20 -5.847 -0.071 -7.833 1.00 0.00 C ATOM 283 CD LYS A 20 -6.734 1.158 -7.672 1.00 0.00 C ATOM 284 CE LYS A 20 -8.134 0.788 -7.210 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.055 0.550 -8.350 1.00 0.00 N ATOM 0 H LYS A 20 -4.782 0.970 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.722 -1.228 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.572 -1.876 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.534 -0.665 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.878 0.231 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.294 -0.747 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.282 1.840 -6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.793 1.690 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.086 -0.108 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.532 1.587 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.998 0.301 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.123 1.412 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.691 -0.230 -8.934 1.00 0.00 H new ATOM 299 N ALA A 21 -2.736 0.556 -7.246 1.00 0.00 N ATOM 300 CA ALA A 21 -2.045 1.645 -7.968 1.00 0.00 C ATOM 301 C ALA A 21 -0.898 1.128 -8.823 1.00 0.00 C ATOM 302 O ALA A 21 -0.666 1.626 -9.924 1.00 0.00 O ATOM 303 CB ALA A 21 -1.506 2.699 -7.014 1.00 0.00 C ATOM 0 H ALA A 21 -2.426 -0.382 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.796 2.094 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.005 3.482 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.330 3.132 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.796 2.239 -6.327 1.00 0.00 H new ATOM 309 N ILE A 22 -0.102 0.235 -8.237 1.00 0.00 N ATOM 310 CA ILE A 22 1.122 -0.274 -8.857 1.00 0.00 C ATOM 311 C ILE A 22 0.916 -0.650 -10.329 1.00 0.00 C ATOM 312 O ILE A 22 1.734 -0.307 -11.187 1.00 0.00 O ATOM 313 CB ILE A 22 1.637 -1.501 -8.069 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.131 -1.071 -6.680 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.724 -2.238 -8.840 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.888 -2.148 -5.931 1.00 0.00 C ATOM 0 H ILE A 22 -0.288 -0.158 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 22 1.861 0.527 -8.826 1.00 0.00 H new ATOM 0 HB ILE A 22 0.808 -2.197 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.775 -0.199 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.274 -0.761 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.065 -3.095 -8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.324 -2.582 -9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.562 -1.565 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.202 -1.764 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.242 -3.014 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.766 -2.442 -6.506 1.00 0.00 H new ATOM 328 N ASP A 23 -0.195 -1.325 -10.598 1.00 0.00 N ATOM 329 CA ASP A 23 -0.561 -1.781 -11.944 1.00 0.00 C ATOM 330 C ASP A 23 -1.768 -2.697 -11.826 1.00 0.00 C ATOM 331 O ASP A 23 -2.485 -2.967 -12.789 1.00 0.00 O ATOM 332 CB ASP A 23 0.604 -2.540 -12.602 1.00 0.00 C ATOM 333 CG ASP A 23 0.202 -3.280 -13.865 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.062 -2.621 -14.893 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.177 -4.530 -13.846 1.00 0.00 O ATOM 0 H ASP A 23 -0.878 -1.577 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.795 -0.918 -12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.400 -1.834 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.014 -3.253 -11.887 1.00 0.00 H new ATOM 340 N GLN A 24 -1.952 -3.183 -10.617 1.00 0.00 N ATOM 341 CA GLN A 24 -2.988 -4.141 -10.294 1.00 0.00 C ATOM 342 C GLN A 24 -3.730 -3.695 -9.040 1.00 0.00 C ATOM 343 O GLN A 24 -3.541 -2.569 -8.566 1.00 0.00 O ATOM 344 CB GLN A 24 -2.354 -5.527 -10.079 1.00 0.00 C ATOM 345 CG GLN A 24 -1.477 -5.640 -8.831 1.00 0.00 C ATOM 346 CD GLN A 24 -0.272 -4.714 -8.850 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.386 -3.523 -8.559 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.894 -5.245 -9.172 1.00 0.00 N ATOM 0 H GLN A 24 -1.376 -2.919 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.701 -4.201 -11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.149 -6.270 -10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.753 -5.776 -10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.081 -5.419 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.133 -6.669 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.956 -6.235 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.733 -4.665 -9.184 1.00 0.00 H new ATOM 357 N TYR A 25 -4.512 -4.596 -8.463 1.00 0.00 N ATOM 358 CA TYR A 25 -5.222 -4.305 -7.228 1.00 0.00 C ATOM 359 C TYR A 25 -4.575 -5.034 -6.063 1.00 0.00 C ATOM 360 O TYR A 25 -3.836 -6.001 -6.258 1.00 0.00 O ATOM 361 CB TYR A 25 -6.694 -4.702 -7.333 1.00 0.00 C ATOM 362 CG TYR A 25 -7.326 -4.380 -8.667 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.133 -3.144 -9.275 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.110 -5.319 -9.323 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.706 -2.856 -10.497 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.683 -5.038 -10.544 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.479 -3.808 -11.127 1.00 0.00 C ATOM 368 OH TYR A 25 -9.045 -3.535 -12.350 1.00 0.00 O ATOM 0 H TYR A 25 -4.670 -5.534 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.166 -3.230 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.784 -5.773 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.253 -4.195 -6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.526 -2.398 -8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.273 -6.285 -8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.550 -1.891 -10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.290 -5.780 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.557 -4.313 -12.654 1.00 0.00 H new ATOM 378 N TRP A 26 -4.808 -4.532 -4.864 1.00 0.00 N ATOM 379 CA TRP A 26 -4.226 -5.101 -3.663 1.00 0.00 C ATOM 380 C TRP A 26 -5.254 -5.185 -2.549 1.00 0.00 C ATOM 381 O TRP A 26 -6.423 -4.838 -2.723 1.00 0.00 O ATOM 382 CB TRP A 26 -3.047 -4.253 -3.175 1.00 0.00 C ATOM 383 CG TRP A 26 -1.950 -4.119 -4.171 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.760 -3.090 -5.043 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.890 -5.048 -4.399 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.640 -3.320 -5.800 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.089 -4.520 -5.423 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.543 -6.277 -3.833 1.00 0.00 C ATOM 389 CZ2 TRP A 26 1.041 -5.179 -5.896 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.578 -6.930 -4.304 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.360 -6.379 -5.327 1.00 0.00 C ATOM 0 H TRP A 26 -5.404 -3.721 -4.696 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.879 -6.103 -3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.410 -3.259 -2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.645 -4.696 -2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.397 -2.222 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.276 -2.701 -6.524 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.140 -6.708 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.645 -4.757 -6.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.857 -7.882 -3.877 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.232 -6.914 -5.673 1.00 0.00 H new ATOM 402 N HIS A 27 -4.753 -5.490 -1.374 1.00 0.00 N ATOM 403 CA HIS A 27 -5.548 -5.497 -0.163 1.00 0.00 C ATOM 404 C HIS A 27 -4.985 -4.461 0.796 1.00 0.00 C ATOM 405 O HIS A 27 -3.919 -3.897 0.539 1.00 0.00 O ATOM 406 CB HIS A 27 -5.512 -6.882 0.485 1.00 0.00 C ATOM 407 CG HIS A 27 -6.699 -7.726 0.173 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.574 -9.017 -0.272 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.012 -7.429 0.288 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.803 -9.481 -0.413 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.715 -8.549 -0.082 1.00 0.00 N ATOM 0 H HIS A 27 -3.775 -5.742 -1.228 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.584 -5.256 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.612 -7.402 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.436 -6.765 1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.430 -6.487 0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.044 -10.478 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.729 -8.654 -0.102 1.00 0.00 H new ATOM 419 N GLU A 28 -5.677 -4.222 1.899 1.00 0.00 N ATOM 420 CA GLU A 28 -5.236 -3.244 2.875 1.00 0.00 C ATOM 421 C GLU A 28 -3.931 -3.675 3.541 1.00 0.00 C ATOM 422 O GLU A 28 -3.010 -2.875 3.685 1.00 0.00 O ATOM 423 CB GLU A 28 -6.322 -3.046 3.925 1.00 0.00 C ATOM 424 CG GLU A 28 -7.271 -1.906 3.606 1.00 0.00 C ATOM 425 CD GLU A 28 -8.237 -1.619 4.735 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.032 -2.516 5.088 1.00 0.00 O ATOM 427 OE2 GLU A 28 -8.205 -0.493 5.272 1.00 0.00 O ATOM 0 H GLU A 28 -6.548 -4.695 2.139 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.051 -2.302 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.894 -3.968 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.853 -2.858 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.693 -1.007 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.834 -2.148 2.704 1.00 0.00 H new ATOM 434 N ASP A 29 -3.870 -4.927 3.985 1.00 0.00 N ATOM 435 CA ASP A 29 -2.692 -5.419 4.699 1.00 0.00 C ATOM 436 C ASP A 29 -1.974 -6.519 3.919 1.00 0.00 C ATOM 437 O ASP A 29 -1.118 -7.218 4.462 1.00 0.00 O ATOM 438 CB ASP A 29 -3.082 -5.934 6.087 1.00 0.00 C ATOM 439 CG ASP A 29 -1.953 -5.821 7.099 1.00 0.00 C ATOM 440 OD1 ASP A 29 -0.874 -5.290 6.753 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.146 -6.254 8.257 1.00 0.00 O ATOM 0 H ASP A 29 -4.614 -5.615 3.866 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.004 -4.580 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.944 -5.373 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.390 -6.977 6.009 1.00 0.00 H new ATOM 446 N CYS A 30 -2.277 -6.636 2.633 1.00 0.00 N ATOM 447 CA CYS A 30 -1.578 -7.590 1.784 1.00 0.00 C ATOM 448 C CYS A 30 -0.346 -6.937 1.182 1.00 0.00 C ATOM 449 O CYS A 30 0.768 -7.446 1.305 1.00 0.00 O ATOM 450 CB CYS A 30 -2.486 -8.108 0.673 1.00 0.00 C ATOM 451 SG CYS A 30 -3.390 -9.632 1.092 1.00 0.00 S ATOM 0 H CYS A 30 -2.995 -6.088 2.159 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.278 -8.438 2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.206 -7.331 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.884 -8.290 -0.217 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.608 -9.551 0.646 1.00 0.00 H new ATOM 456 N LEU A 31 -0.544 -5.750 0.634 1.00 0.00 N ATOM 457 CA LEU A 31 0.556 -4.961 0.123 1.00 0.00 C ATOM 458 C LEU A 31 1.348 -4.384 1.287 1.00 0.00 C ATOM 459 O LEU A 31 0.848 -3.541 2.030 1.00 0.00 O ATOM 460 CB LEU A 31 0.033 -3.841 -0.778 1.00 0.00 C ATOM 461 CG LEU A 31 1.011 -2.691 -1.021 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.597 -2.776 -2.419 1.00 0.00 C ATOM 463 CD2 LEU A 31 0.320 -1.355 -0.810 1.00 0.00 C ATOM 0 H LEU A 31 -1.460 -5.313 0.533 1.00 0.00 H new ATOM 0 HA LEU A 31 1.210 -5.598 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.244 -4.270 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.877 -3.436 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 31 1.827 -2.773 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.291 -1.949 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.127 -3.721 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.794 -2.718 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.029 -0.547 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.515 -1.263 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.051 -1.295 0.213 1.00 0.00 H new ATOM 475 N SER A 32 2.543 -4.913 1.494 1.00 0.00 N ATOM 476 CA SER A 32 3.392 -4.485 2.595 1.00 0.00 C ATOM 477 C SER A 32 4.858 -4.601 2.199 1.00 0.00 C ATOM 478 O SER A 32 5.164 -4.989 1.072 1.00 0.00 O ATOM 479 CB SER A 32 3.118 -5.328 3.845 1.00 0.00 C ATOM 480 OG SER A 32 2.013 -6.201 3.655 1.00 0.00 O ATOM 0 H SER A 32 2.949 -5.644 0.910 1.00 0.00 H new ATOM 0 HA SER A 32 3.165 -3.443 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.005 -5.911 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.922 -4.671 4.692 1.00 0.00 H new ATOM 0 HG SER A 32 1.866 -6.725 4.470 1.00 0.00 H new ATOM 486 N CYS A 33 5.745 -4.335 3.153 1.00 0.00 N ATOM 487 CA CYS A 33 7.177 -4.473 2.957 1.00 0.00 C ATOM 488 C CYS A 33 7.519 -5.874 2.409 1.00 0.00 C ATOM 489 O CYS A 33 7.233 -6.885 3.055 1.00 0.00 O ATOM 490 CB CYS A 33 7.863 -4.212 4.301 1.00 0.00 C ATOM 491 SG CYS A 33 8.514 -2.513 4.501 1.00 0.00 S ATOM 0 H CYS A 33 5.485 -4.016 4.087 1.00 0.00 H new ATOM 0 HA CYS A 33 7.532 -3.753 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.152 -4.412 5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.684 -4.919 4.419 1.00 0.00 H new ATOM 0 HG CYS A 33 9.775 -2.565 4.812 1.00 0.00 H new ATOM 496 N ASP A 34 7.906 -5.919 1.133 1.00 0.00 N ATOM 497 CA ASP A 34 8.047 -7.184 0.401 1.00 0.00 C ATOM 498 C ASP A 34 9.329 -7.932 0.761 1.00 0.00 C ATOM 499 O ASP A 34 9.279 -8.962 1.431 1.00 0.00 O ATOM 500 CB ASP A 34 8.016 -6.915 -1.106 1.00 0.00 C ATOM 501 CG ASP A 34 7.733 -8.154 -1.932 1.00 0.00 C ATOM 502 OD1 ASP A 34 6.785 -8.897 -1.604 1.00 0.00 O ATOM 503 OD2 ASP A 34 8.442 -8.376 -2.937 1.00 0.00 O ATOM 0 H ASP A 34 8.129 -5.091 0.581 1.00 0.00 H new ATOM 0 HA ASP A 34 7.209 -7.818 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.255 -6.164 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.974 -6.494 -1.412 1.00 0.00 H new ATOM 508 N LEU A 35 10.470 -7.413 0.305 1.00 0.00 N ATOM 509 CA LEU A 35 11.776 -8.032 0.571 1.00 0.00 C ATOM 510 C LEU A 35 11.981 -8.197 2.068 1.00 0.00 C ATOM 511 O LEU A 35 12.437 -9.231 2.557 1.00 0.00 O ATOM 512 CB LEU A 35 12.898 -7.154 0.004 1.00 0.00 C ATOM 513 CG LEU A 35 14.304 -7.488 0.510 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.102 -8.211 -0.562 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.026 -6.223 0.949 1.00 0.00 C ATOM 0 H LEU A 35 10.519 -6.561 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 35 11.800 -9.010 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.890 -7.239 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.680 -6.113 0.244 1.00 0.00 H new ATOM 0 HG LEU A 35 14.210 -8.149 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.098 -8.439 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.595 -9.138 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.187 -7.575 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.024 -6.479 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.107 -5.539 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.465 -5.744 1.752 1.00 0.00 H new ATOM 527 N CYS A 36 11.645 -7.139 2.761 1.00 0.00 N ATOM 528 CA CYS A 36 11.753 -7.041 4.191 1.00 0.00 C ATOM 529 C CYS A 36 10.809 -8.020 4.889 1.00 0.00 C ATOM 530 O CYS A 36 11.186 -8.694 5.848 1.00 0.00 O ATOM 531 CB CYS A 36 11.398 -5.611 4.498 1.00 0.00 C ATOM 532 SG CYS A 36 11.198 -4.640 2.958 1.00 0.00 S ATOM 0 H CYS A 36 11.276 -6.293 2.328 1.00 0.00 H new ATOM 0 HA CYS A 36 12.749 -7.300 4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.474 -5.578 5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.177 -5.164 5.116 1.00 0.00 H new ATOM 0 HG CYS A 36 10.277 -3.738 3.130 1.00 0.00 H new ATOM 537 N GLY A 37 9.612 -8.146 4.337 1.00 0.00 N ATOM 538 CA GLY A 37 8.661 -9.129 4.816 1.00 0.00 C ATOM 539 C GLY A 37 7.997 -8.748 6.123 1.00 0.00 C ATOM 540 O GLY A 37 7.490 -9.617 6.833 1.00 0.00 O ATOM 0 H GLY A 37 9.279 -7.579 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.892 -9.277 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.172 -10.084 4.943 1.00 0.00 H new ATOM 710 N TYR A 48 6.155 3.681 -1.587 1.00 0.00 N ATOM 711 CA TYR A 48 7.146 3.464 -2.617 1.00 0.00 C ATOM 712 C TYR A 48 7.274 1.973 -2.887 1.00 0.00 C ATOM 713 O TYR A 48 7.155 1.161 -1.971 1.00 0.00 O ATOM 714 CB TYR A 48 8.500 4.044 -2.197 1.00 0.00 C ATOM 715 CG TYR A 48 9.560 3.946 -3.271 1.00 0.00 C ATOM 716 CD1 TYR A 48 9.649 4.899 -4.275 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.462 2.895 -3.281 1.00 0.00 C ATOM 718 CE1 TYR A 48 10.614 4.806 -5.261 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.428 2.793 -4.260 1.00 0.00 C ATOM 720 CZ TYR A 48 11.500 3.749 -5.250 1.00 0.00 C ATOM 721 OH TYR A 48 12.462 3.648 -6.230 1.00 0.00 O ATOM 0 HA TYR A 48 6.828 3.972 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.368 5.091 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.849 3.522 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.954 5.726 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.408 2.142 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.674 5.557 -6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.125 1.968 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 48 13.004 2.847 -6.075 1.00 0.00 H new ATOM 731 N TYR A 49 7.507 1.630 -4.140 1.00 0.00 N ATOM 732 CA TYR A 49 7.669 0.246 -4.543 1.00 0.00 C ATOM 733 C TYR A 49 8.733 0.161 -5.632 1.00 0.00 C ATOM 734 O TYR A 49 8.975 1.139 -6.344 1.00 0.00 O ATOM 735 CB TYR A 49 6.331 -0.333 -5.030 1.00 0.00 C ATOM 736 CG TYR A 49 5.904 0.139 -6.403 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.457 1.437 -6.611 1.00 0.00 C ATOM 738 CD2 TYR A 49 5.947 -0.722 -7.492 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.063 1.863 -7.864 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.558 -0.301 -8.748 1.00 0.00 C ATOM 741 CZ TYR A 49 5.118 0.990 -8.929 1.00 0.00 C ATOM 742 OH TYR A 49 4.726 1.408 -10.182 1.00 0.00 O ATOM 0 H TYR A 49 7.589 2.300 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 49 7.992 -0.347 -3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.403 -1.421 -5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.554 -0.071 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.417 2.125 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.290 -1.737 -7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.714 2.875 -8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.599 -0.982 -9.585 1.00 0.00 H new ATOM 0 HH TYR A 49 4.828 0.671 -10.820 1.00 0.00 H new ATOM 752 N LYS A 50 9.363 -0.997 -5.760 1.00 0.00 N ATOM 753 CA LYS A 50 10.372 -1.210 -6.784 1.00 0.00 C ATOM 754 C LYS A 50 9.701 -1.439 -8.133 1.00 0.00 C ATOM 755 O LYS A 50 8.519 -1.757 -8.178 1.00 0.00 O ATOM 756 CB LYS A 50 11.255 -2.405 -6.419 1.00 0.00 C ATOM 757 CG LYS A 50 12.697 -2.264 -6.876 1.00 0.00 C ATOM 758 CD LYS A 50 13.471 -3.556 -6.672 1.00 0.00 C ATOM 759 CE LYS A 50 14.935 -3.394 -7.041 1.00 0.00 C ATOM 760 NZ LYS A 50 15.537 -4.669 -7.508 1.00 0.00 N ATOM 0 H LYS A 50 9.191 -1.807 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 50 11.002 -0.323 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.238 -2.541 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.830 -3.307 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.721 -1.986 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.179 -1.458 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.390 -3.869 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.028 -4.346 -7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.030 -2.641 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.488 -3.028 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.537 -4.513 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.470 -5.381 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.026 -5.006 -8.349 1.00 0.00 H new ATOM 774 N LEU A 51 10.446 -1.192 -9.211 1.00 0.00 N ATOM 775 CA LEU A 51 9.930 -1.242 -10.591 1.00 0.00 C ATOM 776 C LEU A 51 8.835 -2.294 -10.811 1.00 0.00 C ATOM 777 O LEU A 51 7.824 -2.011 -11.458 1.00 0.00 O ATOM 778 CB LEU A 51 11.083 -1.454 -11.582 1.00 0.00 C ATOM 779 CG LEU A 51 11.606 -2.886 -11.711 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.331 -3.062 -13.032 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.524 -3.225 -10.548 1.00 0.00 C ATOM 0 H LEU A 51 11.435 -0.949 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 51 9.457 -0.277 -10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.755 -1.119 -12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.912 -0.811 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 51 10.758 -3.570 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.698 -4.085 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.645 -2.858 -13.854 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.172 -2.370 -13.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.886 -4.247 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.371 -2.539 -10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.974 -3.133 -9.611 1.00 0.00 H new ATOM 793 N GLY A 52 9.020 -3.493 -10.266 1.00 0.00 N ATOM 794 CA GLY A 52 8.019 -4.529 -10.420 1.00 0.00 C ATOM 795 C GLY A 52 7.726 -5.266 -9.128 1.00 0.00 C ATOM 796 O GLY A 52 7.010 -6.269 -9.130 1.00 0.00 O ATOM 0 H GLY A 52 9.841 -3.763 -9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.098 -4.083 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.356 -5.243 -11.171 1.00 0.00 H new ATOM 800 N ARG A 53 8.246 -4.759 -8.017 1.00 0.00 N ATOM 801 CA ARG A 53 8.019 -5.384 -6.719 1.00 0.00 C ATOM 802 C ARG A 53 7.454 -4.379 -5.732 1.00 0.00 C ATOM 803 O ARG A 53 7.846 -3.219 -5.731 1.00 0.00 O ATOM 804 CB ARG A 53 9.320 -5.961 -6.168 1.00 0.00 C ATOM 805 CG ARG A 53 9.993 -6.944 -7.105 1.00 0.00 C ATOM 806 CD ARG A 53 10.331 -8.242 -6.395 1.00 0.00 C ATOM 807 NE ARG A 53 11.697 -8.671 -6.664 1.00 0.00 N ATOM 808 CZ ARG A 53 12.216 -9.824 -6.236 1.00 0.00 C ATOM 809 NH1 ARG A 53 11.484 -10.655 -5.497 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.466 -10.148 -6.546 1.00 0.00 N ATOM 0 H ARG A 53 8.826 -3.920 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 53 7.299 -6.191 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.009 -5.144 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.114 -6.458 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.337 -7.150 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.903 -6.500 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.196 -8.114 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.637 -9.020 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 53 12.294 -8.052 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.523 -10.412 -5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.884 -11.535 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.031 -9.515 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.861 -11.029 -6.218 1.00 0.00 H new ATOM 824 N LYS A 54 6.591 -4.840 -4.848 1.00 0.00 N ATOM 825 CA LYS A 54 6.008 -3.975 -3.829 1.00 0.00 C ATOM 826 C LYS A 54 6.882 -3.935 -2.580 1.00 0.00 C ATOM 827 O LYS A 54 6.390 -4.039 -1.459 1.00 0.00 O ATOM 828 CB LYS A 54 4.595 -4.443 -3.466 1.00 0.00 C ATOM 829 CG LYS A 54 4.381 -5.942 -3.623 1.00 0.00 C ATOM 830 CD LYS A 54 4.172 -6.623 -2.280 1.00 0.00 C ATOM 831 CE LYS A 54 3.570 -8.013 -2.445 1.00 0.00 C ATOM 832 NZ LYS A 54 4.500 -8.949 -3.131 1.00 0.00 N ATOM 0 H LYS A 54 6.275 -5.809 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 54 5.949 -2.968 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.384 -4.162 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.876 -3.916 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.515 -6.121 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.243 -6.382 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.125 -6.698 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.516 -6.013 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.311 -8.414 -1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.644 -7.941 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.133 -9.919 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.582 -8.685 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.437 -8.899 -2.682 1.00 0.00 H new ATOM 846 N LEU A 55 8.170 -3.709 -2.777 1.00 0.00 N ATOM 847 CA LEU A 55 9.085 -3.546 -1.664 1.00 0.00 C ATOM 848 C LEU A 55 9.430 -2.073 -1.509 1.00 0.00 C ATOM 849 O LEU A 55 9.371 -1.315 -2.477 1.00 0.00 O ATOM 850 CB LEU A 55 10.347 -4.394 -1.875 1.00 0.00 C ATOM 851 CG LEU A 55 11.658 -3.619 -1.988 1.00 0.00 C ATOM 852 CD1 LEU A 55 12.531 -3.869 -0.770 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.388 -4.009 -3.260 1.00 0.00 C ATOM 0 H LEU A 55 8.604 -3.635 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 55 8.608 -3.893 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.433 -5.096 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.217 -4.985 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 55 11.432 -2.554 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.461 -3.309 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.005 -3.545 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.755 -4.933 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.321 -3.450 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.605 -5.077 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.763 -3.780 -4.123 1.00 0.00 H new ATOM 865 N CYS A 56 9.733 -1.667 -0.284 1.00 0.00 N ATOM 866 CA CYS A 56 10.020 -0.274 0.004 1.00 0.00 C ATOM 867 C CYS A 56 11.377 0.141 -0.544 1.00 0.00 C ATOM 868 O CYS A 56 12.097 -0.647 -1.151 1.00 0.00 O ATOM 869 CB CYS A 56 9.983 -0.022 1.512 1.00 0.00 C ATOM 870 SG CYS A 56 11.368 -0.774 2.427 1.00 0.00 S ATOM 0 H CYS A 56 9.786 -2.285 0.525 1.00 0.00 H new ATOM 0 HA CYS A 56 9.252 0.325 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.986 1.053 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.045 -0.409 1.911 1.00 0.00 H new ATOM 0 HG CYS A 56 11.187 -2.059 2.509 1.00 0.00 H new ATOM 875 N ARG A 57 11.754 1.358 -0.221 1.00 0.00 N ATOM 876 CA ARG A 57 13.072 1.869 -0.570 1.00 0.00 C ATOM 877 C ARG A 57 13.974 1.838 0.656 1.00 0.00 C ATOM 878 O ARG A 57 15.187 1.995 0.560 1.00 0.00 O ATOM 879 CB ARG A 57 12.963 3.301 -1.112 1.00 0.00 C ATOM 880 CG ARG A 57 14.298 3.937 -1.479 1.00 0.00 C ATOM 881 CD ARG A 57 14.588 3.830 -2.967 1.00 0.00 C ATOM 882 NE ARG A 57 15.486 4.890 -3.423 1.00 0.00 N ATOM 883 CZ ARG A 57 15.992 4.970 -4.654 1.00 0.00 C ATOM 884 NH1 ARG A 57 15.745 4.024 -5.551 1.00 0.00 N ATOM 885 NH2 ARG A 57 16.765 5.997 -4.975 1.00 0.00 N ATOM 0 H ARG A 57 11.167 2.020 0.286 1.00 0.00 H new ATOM 0 HA ARG A 57 13.503 1.238 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.322 3.295 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.471 3.923 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.293 4.987 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.097 3.453 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.034 2.859 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.653 3.881 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 57 15.742 5.617 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.162 3.225 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.138 4.096 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 57 16.969 6.718 -4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.157 6.067 -5.914 1.00 0.00 H new ATOM 899 N ARG A 58 13.365 1.635 1.814 1.00 0.00 N ATOM 900 CA ARG A 58 14.090 1.663 3.073 1.00 0.00 C ATOM 901 C ARG A 58 14.851 0.374 3.299 1.00 0.00 C ATOM 902 O ARG A 58 16.070 0.376 3.461 1.00 0.00 O ATOM 903 CB ARG A 58 13.141 1.899 4.250 1.00 0.00 C ATOM 904 CG ARG A 58 12.334 3.175 4.133 1.00 0.00 C ATOM 905 CD ARG A 58 11.112 2.970 3.259 1.00 0.00 C ATOM 906 NE ARG A 58 10.050 3.932 3.557 1.00 0.00 N ATOM 907 CZ ARG A 58 9.326 3.926 4.677 1.00 0.00 C ATOM 908 NH1 ARG A 58 9.447 2.941 5.562 1.00 0.00 N ATOM 909 NH2 ARG A 58 8.455 4.899 4.900 1.00 0.00 N ATOM 0 H ARG A 58 12.367 1.448 1.907 1.00 0.00 H new ATOM 0 HA ARG A 58 14.800 2.488 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.458 1.053 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.721 1.929 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.024 3.505 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.956 3.965 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.398 3.060 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.733 1.958 3.400 1.00 0.00 H new ATOM 0 HE ARG A 58 9.851 4.653 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.100 2.177 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.887 2.950 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.341 5.648 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.899 4.899 5.755 1.00 0.00 H new ATOM 923 N ASP A 59 14.124 -0.729 3.290 1.00 0.00 N ATOM 924 CA ASP A 59 14.709 -2.029 3.534 1.00 0.00 C ATOM 925 C ASP A 59 15.476 -2.483 2.306 1.00 0.00 C ATOM 926 O ASP A 59 16.406 -3.282 2.395 1.00 0.00 O ATOM 927 CB ASP A 59 13.618 -3.031 3.908 1.00 0.00 C ATOM 928 CG ASP A 59 12.962 -2.719 5.247 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.679 -2.772 6.279 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.735 -2.412 5.296 1.00 0.00 O ATOM 0 H ASP A 59 13.119 -0.746 3.114 1.00 0.00 H new ATOM 0 HA ASP A 59 15.407 -1.965 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.856 -3.039 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.048 -4.032 3.944 1.00 0.00 H new ATOM 935 N TYR A 60 15.193 -1.822 1.196 1.00 0.00 N ATOM 936 CA TYR A 60 15.939 -2.023 -0.029 1.00 0.00 C ATOM 937 C TYR A 60 17.285 -1.304 0.067 1.00 0.00 C ATOM 938 O TYR A 60 18.313 -1.837 -0.348 1.00 0.00 O ATOM 939 CB TYR A 60 15.100 -1.524 -1.214 1.00 0.00 C ATOM 940 CG TYR A 60 15.876 -0.937 -2.372 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.229 0.407 -2.385 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.227 -1.719 -3.464 1.00 0.00 C ATOM 943 CE1 TYR A 60 16.915 0.954 -3.453 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.916 -1.180 -4.532 1.00 0.00 C ATOM 945 CZ TYR A 60 17.255 0.157 -4.523 1.00 0.00 C ATOM 946 OH TYR A 60 17.932 0.695 -5.595 1.00 0.00 O ATOM 0 H TYR A 60 14.443 -1.135 1.121 1.00 0.00 H new ATOM 0 HA TYR A 60 16.145 -3.082 -0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.502 -2.356 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.403 -0.769 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.963 1.034 -1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.957 -2.765 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.183 2.000 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.189 -1.803 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 60 18.095 -0.003 -6.263 1.00 0.00 H new ATOM 1420 N LEU A 96 2.664 5.286 -5.824 1.00 0.00 N ATOM 1421 CA LEU A 96 1.885 5.352 -4.590 1.00 0.00 C ATOM 1422 C LEU A 96 0.865 4.219 -4.530 1.00 0.00 C ATOM 1423 O LEU A 96 0.992 3.219 -5.236 1.00 0.00 O ATOM 1424 CB LEU A 96 1.178 6.710 -4.459 1.00 0.00 C ATOM 1425 CG LEU A 96 2.018 7.929 -4.848 1.00 0.00 C ATOM 1426 CD1 LEU A 96 1.141 9.165 -4.957 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.132 8.154 -3.841 1.00 0.00 C ATOM 0 HA LEU A 96 2.576 5.241 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.282 6.695 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.849 6.831 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 96 2.470 7.739 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.754 10.023 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.377 9.003 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.662 9.357 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.718 9.025 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.702 8.323 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.777 7.276 -3.810 1.00 0.00 H new ATOM 1439 N ILE A 97 -0.158 4.404 -3.707 1.00 0.00 N ATOM 1440 CA ILE A 97 -1.267 3.465 -3.601 1.00 0.00 C ATOM 1441 C ILE A 97 -2.446 4.160 -2.950 1.00 0.00 C ATOM 1442 O ILE A 97 -2.285 4.855 -1.946 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.938 2.191 -2.789 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.303 2.399 -1.930 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.761 0.995 -3.715 1.00 0.00 C ATOM 1446 CD1 ILE A 97 0.018 2.372 -0.445 1.00 0.00 C ATOM 0 H ILE A 97 -0.243 5.213 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.493 3.143 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.777 1.986 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.033 1.625 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.758 3.355 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.530 0.109 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.682 0.829 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.056 1.191 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.946 2.526 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.688 3.164 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.409 1.406 -0.174 1.00 0.00 H new ATOM 1458 N THR A 98 -3.594 4.080 -3.586 1.00 0.00 N ATOM 1459 CA THR A 98 -4.764 4.779 -3.116 1.00 0.00 C ATOM 1460 C THR A 98 -5.580 3.920 -2.166 1.00 0.00 C ATOM 1461 O THR A 98 -6.058 2.845 -2.541 1.00 0.00 O ATOM 1462 CB THR A 98 -5.641 5.205 -4.300 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.203 4.539 -5.495 1.00 0.00 O ATOM 1464 CG2 THR A 98 -5.552 6.700 -4.498 1.00 0.00 C ATOM 0 H THR A 98 -3.740 3.534 -4.435 1.00 0.00 H new ATOM 0 HA THR A 98 -4.424 5.663 -2.576 1.00 0.00 H new ATOM 0 HB THR A 98 -6.675 4.931 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.767 4.813 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.178 6.993 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.896 7.207 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.518 6.979 -4.700 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.789 4.432 -0.959 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.663 3.782 0.002 1.00 0.00 C ATOM 1474 C ARG A 99 -8.097 3.952 -0.464 1.00 0.00 C ATOM 1475 O ARG A 99 -8.672 5.033 -0.335 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.492 4.401 1.391 1.00 0.00 C ATOM 1477 CG ARG A 99 -5.678 3.558 2.359 1.00 0.00 C ATOM 1478 CD ARG A 99 -5.943 2.067 2.188 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.245 1.399 3.456 1.00 0.00 N ATOM 1480 CZ ARG A 99 -5.366 1.211 4.442 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -4.116 1.645 4.334 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.745 0.573 5.536 1.00 0.00 N ATOM 0 H ARG A 99 -5.363 5.297 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.409 2.724 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.013 5.374 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.478 4.576 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.617 3.756 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.914 3.852 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.777 1.927 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.071 1.597 1.733 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.194 1.053 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.816 2.130 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.456 1.494 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.702 0.230 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.081 0.424 6.296 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.582 2.979 -1.207 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.856 3.131 -1.872 1.00 0.00 C ATOM 1498 C LEU A 100 -10.958 2.390 -1.155 1.00 0.00 C ATOM 1499 O LEU A 100 -10.721 1.575 -0.262 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.783 2.643 -3.312 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.519 3.522 -4.323 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.523 4.288 -5.176 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.438 2.686 -5.198 1.00 0.00 C ATOM 0 H LEU A 100 -8.118 2.084 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.088 4.196 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.735 2.575 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.194 1.635 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.132 4.237 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.060 4.910 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.907 4.920 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.887 3.584 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.951 3.333 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.850 1.945 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.173 2.179 -4.573 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.154 2.664 -1.608 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.358 2.066 -1.079 1.00 0.00 C ATOM 1517 C GLU A 101 -13.839 0.961 -2.002 1.00 0.00 C ATOM 1518 O GLU A 101 -13.787 1.106 -3.223 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.429 3.143 -0.954 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.879 4.562 -1.069 1.00 0.00 C ATOM 1521 CD GLU A 101 -13.950 5.118 -2.478 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -14.905 4.783 -3.206 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -13.051 5.899 -2.858 1.00 0.00 O ATOM 0 H GLU A 101 -12.324 3.321 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.153 1.635 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.181 2.989 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.933 3.034 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.437 5.216 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.842 4.571 -0.734 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.267 -0.151 -1.432 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.723 -1.273 -2.237 1.00 0.00 C ATOM 1532 C ASN A 102 -16.228 -1.208 -2.460 1.00 0.00 C ATOM 1533 O ASN A 102 -16.953 -0.556 -1.707 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.345 -2.599 -1.581 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.245 -3.736 -2.583 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.267 -3.519 -3.793 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.157 -4.957 -2.085 1.00 0.00 N ATOM 0 H ASN A 102 -14.309 -0.302 -0.424 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.228 -1.210 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.390 -2.487 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.087 -2.851 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.104 -5.761 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.142 -5.096 -1.075 1.00 0.00 H new ATOM 1544 N THR A 103 -16.668 -1.864 -3.527 1.00 0.00 N ATOM 1545 CA THR A 103 -18.066 -1.882 -3.945 1.00 0.00 C ATOM 1546 C THR A 103 -19.040 -2.083 -2.782 1.00 0.00 C ATOM 1547 O THR A 103 -20.011 -1.339 -2.640 1.00 0.00 O ATOM 1548 CB THR A 103 -18.280 -3.009 -4.966 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.267 -2.946 -5.980 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.661 -2.925 -5.594 1.00 0.00 C ATOM 0 H THR A 103 -16.055 -2.407 -4.136 1.00 0.00 H new ATOM 0 HA THR A 103 -18.275 -0.905 -4.382 1.00 0.00 H new ATOM 0 HB THR A 103 -18.207 -3.963 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.407 -3.668 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.784 -3.735 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.420 -3.011 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.771 -1.968 -6.104 1.00 0.00 H new