USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 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 107:sc= 1.24 USER MOD Set 1.2: A 36 CYS SG : rot 180:sc= -2.51! USER MOD Set 1.3: A 56 CYS SG : rot -99:sc= -2.35! USER MOD Set 2.1: A 6 CYS SG : rot -171:sc= 2.11 USER MOD Set 2.2: A 9 CYS SG : rot -49:sc= -0.231! USER MOD Set 2.3: A 11 GLN : amide:sc= 0.895 K(o=1,f=-0.45) USER MOD Set 2.4: A 27 HIS : no HD1:sc= -1.4! C(o=1!,f=-6.3!) USER MOD Set 2.5: A 30 CYS SG : rot 137:sc= -0.326 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.51) USER MOD Single : A 12 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.32) USER MOD Single : A 17 TYR OH : rot -20:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.259 (180deg=0.133) USER MOD Single : A 24 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.9!) 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+ -176:sc= 1.49 (180deg=1.48) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0971 USER MOD Single : A 102 ASN : amide:sc= 0.00635 X(o=0.0064,f=-0.26) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -14.721 -8.983 -10.083 1.00 0.00 N ATOM 22 CA LEU A 3 -14.319 -8.490 -8.775 1.00 0.00 C ATOM 23 C LEU A 3 -12.855 -8.079 -8.793 1.00 0.00 C ATOM 24 O LEU A 3 -12.153 -8.281 -9.786 1.00 0.00 O ATOM 25 CB LEU A 3 -14.541 -9.553 -7.700 1.00 0.00 C ATOM 26 CG LEU A 3 -15.989 -10.002 -7.516 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.031 -11.366 -6.849 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.768 -8.977 -6.702 1.00 0.00 C ATOM 0 HA LEU A 3 -14.934 -7.621 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.936 -10.426 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.174 -9.167 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.459 -10.081 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.068 -11.677 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.508 -12.092 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.547 -11.309 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.797 -9.314 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.306 -8.864 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.759 -8.018 -7.220 1.00 0.00 H new ATOM 40 N LEU A 4 -12.391 -7.517 -7.695 1.00 0.00 N ATOM 41 CA LEU A 4 -11.009 -7.093 -7.600 1.00 0.00 C ATOM 42 C LEU A 4 -10.137 -8.232 -7.105 1.00 0.00 C ATOM 43 O LEU A 4 -10.595 -9.114 -6.384 1.00 0.00 O ATOM 44 CB LEU A 4 -10.876 -5.897 -6.662 1.00 0.00 C ATOM 45 CG LEU A 4 -11.982 -4.848 -6.785 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.456 -4.412 -5.408 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.484 -3.661 -7.592 1.00 0.00 C ATOM 0 H LEU A 4 -12.949 -7.344 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.677 -6.798 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.855 -6.261 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.917 -5.414 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.832 -5.287 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.243 -3.665 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.845 -5.275 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.621 -3.983 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.278 -2.919 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.623 -3.217 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.194 -3.994 -8.588 1.00 0.00 H new ATOM 59 N THR A 5 -8.869 -8.169 -7.442 1.00 0.00 N ATOM 60 CA THR A 5 -7.907 -9.149 -6.978 1.00 0.00 C ATOM 61 C THR A 5 -6.647 -8.454 -6.496 1.00 0.00 C ATOM 62 O THR A 5 -6.182 -7.501 -7.121 1.00 0.00 O ATOM 63 CB THR A 5 -7.543 -10.153 -8.082 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.024 -9.684 -9.352 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.144 -11.512 -7.784 1.00 0.00 C ATOM 0 H THR A 5 -8.475 -7.444 -8.041 1.00 0.00 H new ATOM 0 HA THR A 5 -8.367 -9.697 -6.156 1.00 0.00 H new ATOM 0 HB THR A 5 -6.458 -10.246 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.786 -10.329 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.876 -12.210 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.760 -11.879 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.229 -11.426 -7.729 1.00 0.00 H new ATOM 73 N CYS A 6 -6.153 -8.879 -5.348 1.00 0.00 N ATOM 74 CA CYS A 6 -4.988 -8.265 -4.748 1.00 0.00 C ATOM 75 C CYS A 6 -3.730 -9.004 -5.184 1.00 0.00 C ATOM 76 O CYS A 6 -3.776 -10.198 -5.476 1.00 0.00 O ATOM 77 CB CYS A 6 -5.156 -8.256 -3.224 1.00 0.00 C ATOM 78 SG CYS A 6 -3.701 -8.762 -2.259 1.00 0.00 S ATOM 0 H CYS A 6 -6.545 -9.652 -4.811 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.887 -7.233 -5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.440 -7.250 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.985 -8.914 -2.966 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.035 -8.899 -1.010 1.00 0.00 H new ATOM 83 N GLY A 7 -2.637 -8.270 -5.322 1.00 0.00 N ATOM 84 CA GLY A 7 -1.407 -8.862 -5.807 1.00 0.00 C ATOM 85 C GLY A 7 -0.529 -9.368 -4.683 1.00 0.00 C ATOM 86 O GLY A 7 0.556 -9.897 -4.922 1.00 0.00 O ATOM 0 H GLY A 7 -2.579 -7.275 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.644 -9.687 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.857 -8.124 -6.390 1.00 0.00 H new ATOM 90 N GLY A 8 -0.992 -9.197 -3.454 1.00 0.00 N ATOM 91 CA GLY A 8 -0.236 -9.646 -2.308 1.00 0.00 C ATOM 92 C GLY A 8 -0.532 -11.090 -1.973 1.00 0.00 C ATOM 93 O GLY A 8 0.384 -11.884 -1.753 1.00 0.00 O ATOM 0 H GLY A 8 -1.883 -8.753 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.829 -9.530 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.470 -9.018 -1.449 1.00 0.00 H new ATOM 97 N CYS A 9 -1.814 -11.438 -1.971 1.00 0.00 N ATOM 98 CA CYS A 9 -2.232 -12.802 -1.688 1.00 0.00 C ATOM 99 C CYS A 9 -2.880 -13.439 -2.917 1.00 0.00 C ATOM 100 O CYS A 9 -2.771 -14.649 -3.132 1.00 0.00 O ATOM 101 CB CYS A 9 -3.201 -12.815 -0.502 1.00 0.00 C ATOM 102 SG CYS A 9 -4.786 -11.976 -0.822 1.00 0.00 S ATOM 0 H CYS A 9 -2.580 -10.793 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.351 -13.389 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.401 -13.849 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.718 -12.341 0.352 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.560 -10.805 -1.339 1.00 0.00 H new ATOM 107 N GLN A 10 -3.557 -12.607 -3.711 1.00 0.00 N ATOM 108 CA GLN A 10 -4.241 -13.043 -4.931 1.00 0.00 C ATOM 109 C GLN A 10 -5.457 -13.910 -4.616 1.00 0.00 C ATOM 110 O GLN A 10 -5.905 -14.693 -5.451 1.00 0.00 O ATOM 111 CB GLN A 10 -3.281 -13.790 -5.862 1.00 0.00 C ATOM 112 CG GLN A 10 -2.968 -13.033 -7.140 1.00 0.00 C ATOM 113 CD GLN A 10 -4.064 -13.162 -8.178 1.00 0.00 C ATOM 114 OE1 GLN A 10 -4.596 -14.250 -8.409 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.405 -12.056 -8.813 1.00 0.00 N ATOM 0 H GLN A 10 -3.647 -11.608 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.592 -12.146 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.351 -13.988 -5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.714 -14.757 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.817 -11.979 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.032 -13.404 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.939 -11.176 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.134 -12.081 -9.526 1.00 0.00 H new ATOM 124 N GLN A 11 -6.023 -13.733 -3.428 1.00 0.00 N ATOM 125 CA GLN A 11 -7.194 -14.500 -3.026 1.00 0.00 C ATOM 126 C GLN A 11 -8.486 -13.734 -3.319 1.00 0.00 C ATOM 127 O GLN A 11 -9.550 -14.091 -2.815 1.00 0.00 O ATOM 128 CB GLN A 11 -7.097 -14.873 -1.540 1.00 0.00 C ATOM 129 CG GLN A 11 -7.564 -13.788 -0.578 1.00 0.00 C ATOM 130 CD GLN A 11 -7.184 -14.083 0.860 1.00 0.00 C ATOM 131 OE1 GLN A 11 -7.944 -14.706 1.604 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.006 -13.641 1.260 1.00 0.00 N ATOM 0 H GLN A 11 -5.691 -13.068 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.221 -15.419 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.688 -15.772 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.061 -15.123 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.132 -12.833 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.647 -13.685 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.407 -13.129 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.695 -13.811 2.216 1.00 0.00 H new ATOM 141 N ASN A 12 -8.378 -12.711 -4.177 1.00 0.00 N ATOM 142 CA ASN A 12 -9.524 -11.892 -4.594 1.00 0.00 C ATOM 143 C ASN A 12 -9.986 -10.984 -3.458 1.00 0.00 C ATOM 144 O ASN A 12 -10.085 -11.409 -2.306 1.00 0.00 O ATOM 145 CB ASN A 12 -10.684 -12.773 -5.089 1.00 0.00 C ATOM 146 CG ASN A 12 -11.794 -11.980 -5.756 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.577 -11.302 -5.092 1.00 0.00 O ATOM 148 ND2 ASN A 12 -11.881 -12.077 -7.075 1.00 0.00 N ATOM 0 H ASN A 12 -7.495 -12.428 -4.601 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.199 -11.264 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.298 -13.509 -5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.097 -13.326 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.617 -11.579 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.212 -12.650 -7.589 1.00 0.00 H new ATOM 155 N ILE A 13 -10.265 -9.729 -3.775 1.00 0.00 N ATOM 156 CA ILE A 13 -10.746 -8.802 -2.771 1.00 0.00 C ATOM 157 C ILE A 13 -12.258 -8.677 -2.846 1.00 0.00 C ATOM 158 O ILE A 13 -12.793 -7.863 -3.601 1.00 0.00 O ATOM 159 CB ILE A 13 -10.116 -7.403 -2.910 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.695 -7.505 -3.452 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.116 -6.682 -1.568 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.301 -6.330 -4.316 1.00 0.00 C ATOM 0 H ILE A 13 -10.167 -9.335 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.451 -9.209 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.716 -6.828 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.999 -7.583 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.600 -8.423 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.667 -5.696 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.141 -6.575 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.540 -7.259 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.279 -6.465 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.975 -6.265 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.365 -5.412 -3.732 1.00 0.00 H new ATOM 174 N GLY A 14 -12.929 -9.420 -1.985 1.00 0.00 N ATOM 175 CA GLY A 14 -14.366 -9.313 -1.854 1.00 0.00 C ATOM 176 C GLY A 14 -14.710 -8.755 -0.500 1.00 0.00 C ATOM 177 O GLY A 14 -15.832 -8.891 -0.009 1.00 0.00 O ATOM 0 H GLY A 14 -12.498 -10.106 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.765 -8.668 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.827 -10.292 -1.982 1.00 0.00 H new ATOM 181 N ASP A 15 -13.692 -8.184 0.124 1.00 0.00 N ATOM 182 CA ASP A 15 -13.798 -7.628 1.461 1.00 0.00 C ATOM 183 C ASP A 15 -14.613 -6.346 1.439 1.00 0.00 C ATOM 184 O ASP A 15 -14.991 -5.861 0.376 1.00 0.00 O ATOM 185 CB ASP A 15 -12.403 -7.340 2.027 1.00 0.00 C ATOM 186 CG ASP A 15 -11.497 -8.559 2.024 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.100 -9.019 0.929 1.00 0.00 O ATOM 188 OD2 ASP A 15 -11.168 -9.061 3.122 1.00 0.00 O ATOM 0 H ASP A 15 -12.763 -8.093 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.300 -8.357 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.937 -6.547 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.501 -6.969 3.047 1.00 0.00 H new ATOM 193 N ARG A 16 -14.899 -5.812 2.610 1.00 0.00 N ATOM 194 CA ARG A 16 -15.689 -4.591 2.715 1.00 0.00 C ATOM 195 C ARG A 16 -14.904 -3.382 2.218 1.00 0.00 C ATOM 196 O ARG A 16 -15.457 -2.493 1.568 1.00 0.00 O ATOM 197 CB ARG A 16 -16.154 -4.351 4.157 1.00 0.00 C ATOM 198 CG ARG A 16 -15.362 -5.103 5.212 1.00 0.00 C ATOM 199 CD ARG A 16 -14.160 -4.308 5.684 1.00 0.00 C ATOM 200 NE ARG A 16 -12.922 -5.069 5.535 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.702 -4.539 5.553 1.00 0.00 C ATOM 202 NH1 ARG A 16 -11.529 -3.252 5.839 1.00 0.00 N ATOM 203 NH2 ARG A 16 -10.650 -5.317 5.339 1.00 0.00 N ATOM 0 H ARG A 16 -14.599 -6.200 3.504 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.567 -4.722 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.096 -3.284 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.203 -4.635 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.007 -5.326 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.030 -6.058 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.089 -3.381 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.294 -4.030 6.730 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.998 -6.078 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.335 -2.663 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.590 -2.854 5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.780 -6.313 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.711 -4.919 5.351 1.00 0.00 H new ATOM 217 N TYR A 17 -13.617 -3.349 2.535 1.00 0.00 N ATOM 218 CA TYR A 17 -12.770 -2.237 2.148 1.00 0.00 C ATOM 219 C TYR A 17 -11.458 -2.763 1.587 1.00 0.00 C ATOM 220 O TYR A 17 -11.029 -3.858 1.951 1.00 0.00 O ATOM 221 CB TYR A 17 -12.511 -1.346 3.362 1.00 0.00 C ATOM 222 CG TYR A 17 -12.615 0.124 3.053 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.835 0.682 2.704 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.502 0.952 3.098 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.946 2.021 2.409 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.609 2.298 2.806 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.834 2.826 2.461 1.00 0.00 C ATOM 228 OH TYR A 17 -12.954 4.161 2.162 1.00 0.00 O ATOM 0 H TYR A 17 -13.139 -4.082 3.060 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.268 -1.648 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.224 -1.597 4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.517 -1.558 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.713 0.055 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.540 0.539 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.904 2.438 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.737 2.933 2.848 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.772 4.308 1.642 1.00 0.00 H new ATOM 238 N PHE A 18 -10.844 -2.017 0.679 1.00 0.00 N ATOM 239 CA PHE A 18 -9.605 -2.465 0.056 1.00 0.00 C ATOM 240 C PHE A 18 -8.718 -1.297 -0.355 1.00 0.00 C ATOM 241 O PHE A 18 -9.021 -0.135 -0.071 1.00 0.00 O ATOM 242 CB PHE A 18 -9.903 -3.369 -1.149 1.00 0.00 C ATOM 243 CG PHE A 18 -10.300 -2.649 -2.409 1.00 0.00 C ATOM 244 CD1 PHE A 18 -11.475 -1.917 -2.474 1.00 0.00 C ATOM 245 CD2 PHE A 18 -9.498 -2.721 -3.535 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.840 -1.271 -3.637 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.860 -2.079 -4.702 1.00 0.00 C ATOM 248 CZ PHE A 18 -11.032 -1.354 -4.752 1.00 0.00 C ATOM 0 H PHE A 18 -11.179 -1.108 0.359 1.00 0.00 H new ATOM 0 HA PHE A 18 -9.056 -3.042 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.019 -3.972 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.702 -4.058 -0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.112 -1.852 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.578 -3.286 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.757 -0.701 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.227 -2.144 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.317 -0.851 -5.664 1.00 0.00 H new ATOM 258 N LEU A 19 -7.584 -1.625 -0.958 1.00 0.00 N ATOM 259 CA LEU A 19 -6.592 -0.637 -1.336 1.00 0.00 C ATOM 260 C LEU A 19 -6.106 -0.872 -2.760 1.00 0.00 C ATOM 261 O LEU A 19 -5.995 -2.008 -3.200 1.00 0.00 O ATOM 262 CB LEU A 19 -5.396 -0.733 -0.389 1.00 0.00 C ATOM 263 CG LEU A 19 -5.483 0.113 0.879 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.336 -0.223 1.817 1.00 0.00 C ATOM 265 CD2 LEU A 19 -5.469 1.589 0.529 1.00 0.00 C ATOM 0 H LEU A 19 -7.329 -2.583 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.051 0.350 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.269 -1.776 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.499 -0.443 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.421 -0.113 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.411 0.388 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.385 -1.277 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.388 -0.021 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.532 2.180 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.545 1.830 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.321 1.819 -0.111 1.00 0.00 H new ATOM 277 N LYS A 20 -5.670 0.188 -3.415 1.00 0.00 N ATOM 278 CA LYS A 20 -4.987 0.078 -4.690 1.00 0.00 C ATOM 279 C LYS A 20 -3.926 1.160 -4.736 1.00 0.00 C ATOM 280 O LYS A 20 -3.947 2.060 -3.894 1.00 0.00 O ATOM 281 CB LYS A 20 -5.938 0.261 -5.876 1.00 0.00 C ATOM 282 CG LYS A 20 -7.405 0.112 -5.541 1.00 0.00 C ATOM 283 CD LYS A 20 -8.121 1.451 -5.590 1.00 0.00 C ATOM 284 CE LYS A 20 -9.453 1.347 -6.315 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.289 1.157 -7.781 1.00 0.00 N ATOM 0 H LYS A 20 -5.779 1.145 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.556 -0.920 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.776 1.250 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.680 -0.466 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.872 -0.579 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.511 -0.323 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.286 1.814 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.489 2.184 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.022 0.513 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.035 2.250 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.150 1.473 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.477 1.714 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.125 0.150 -7.984 1.00 0.00 H new ATOM 299 N ALA A 21 -3.044 1.122 -5.731 1.00 0.00 N ATOM 300 CA ALA A 21 -2.021 2.160 -5.856 1.00 0.00 C ATOM 301 C ALA A 21 -1.185 1.994 -7.114 1.00 0.00 C ATOM 302 O ALA A 21 -1.361 2.723 -8.085 1.00 0.00 O ATOM 303 CB ALA A 21 -1.107 2.146 -4.642 1.00 0.00 C ATOM 0 H ALA A 21 -3.014 0.399 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.543 3.115 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.350 2.923 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.694 2.331 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.620 1.174 -4.564 1.00 0.00 H new ATOM 309 N ILE A 22 -0.204 1.098 -7.020 1.00 0.00 N ATOM 310 CA ILE A 22 0.787 0.861 -8.074 1.00 0.00 C ATOM 311 C ILE A 22 0.172 0.909 -9.473 1.00 0.00 C ATOM 312 O ILE A 22 0.569 1.723 -10.307 1.00 0.00 O ATOM 313 CB ILE A 22 1.467 -0.508 -7.857 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.815 -0.684 -6.372 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.710 -0.638 -8.723 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.843 -1.759 -6.100 1.00 0.00 C ATOM 0 H ILE A 22 -0.071 0.507 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 22 1.523 1.662 -8.010 1.00 0.00 H new ATOM 0 HB ILE A 22 0.774 -1.296 -8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.185 0.264 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.904 -0.921 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.172 -1.611 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.433 -0.547 -9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.418 0.150 -8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.032 -1.819 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.469 -2.719 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.770 -1.515 -6.619 1.00 0.00 H new ATOM 328 N ASP A 23 -0.845 0.084 -9.677 1.00 0.00 N ATOM 329 CA ASP A 23 -1.583 0.025 -10.940 1.00 0.00 C ATOM 330 C ASP A 23 -2.623 -1.073 -10.855 1.00 0.00 C ATOM 331 O ASP A 23 -3.532 -1.167 -11.677 1.00 0.00 O ATOM 332 CB ASP A 23 -0.649 -0.260 -12.118 1.00 0.00 C ATOM 333 CG ASP A 23 -1.314 -0.018 -13.458 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.907 1.065 -13.648 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.229 -0.903 -14.333 1.00 0.00 O ATOM 0 H ASP A 23 -1.186 -0.568 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.058 0.992 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.236 0.371 -12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.309 -1.294 -12.066 1.00 0.00 H new ATOM 340 N GLN A 24 -2.491 -1.881 -9.820 1.00 0.00 N ATOM 341 CA GLN A 24 -3.401 -2.978 -9.578 1.00 0.00 C ATOM 342 C GLN A 24 -4.060 -2.796 -8.224 1.00 0.00 C ATOM 343 O GLN A 24 -3.879 -1.758 -7.578 1.00 0.00 O ATOM 344 CB GLN A 24 -2.660 -4.317 -9.641 1.00 0.00 C ATOM 345 CG GLN A 24 -1.334 -4.322 -8.897 1.00 0.00 C ATOM 346 CD GLN A 24 -0.149 -4.034 -9.805 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.313 -3.759 -10.995 1.00 0.00 O ATOM 348 NE2 GLN A 24 1.053 -4.096 -9.255 1.00 0.00 N ATOM 0 H GLN A 24 -1.749 -1.793 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.169 -2.983 -10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.301 -5.096 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.481 -4.573 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.366 -3.578 -8.101 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.194 -5.292 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.150 -4.327 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.882 -3.913 -9.820 1.00 0.00 H new ATOM 357 N TYR A 25 -4.777 -3.810 -7.777 1.00 0.00 N ATOM 358 CA TYR A 25 -5.464 -3.735 -6.498 1.00 0.00 C ATOM 359 C TYR A 25 -4.757 -4.573 -5.453 1.00 0.00 C ATOM 360 O TYR A 25 -3.960 -5.458 -5.782 1.00 0.00 O ATOM 361 CB TYR A 25 -6.922 -4.172 -6.632 1.00 0.00 C ATOM 362 CG TYR A 25 -7.593 -3.635 -7.870 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.636 -2.269 -8.126 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.164 -4.495 -8.792 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.236 -1.777 -9.268 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.762 -4.013 -9.940 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.796 -2.652 -10.173 1.00 0.00 C ATOM 368 OH TYR A 25 -9.385 -2.168 -11.317 1.00 0.00 O ATOM 0 H TYR A 25 -4.900 -4.691 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.447 -2.694 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.968 -5.261 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.476 -3.840 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.193 -1.582 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.142 -5.559 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.266 -0.713 -9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.201 -4.697 -10.652 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.730 -2.915 -11.849 1.00 0.00 H new ATOM 378 N TRP A 26 -4.976 -4.218 -4.202 1.00 0.00 N ATOM 379 CA TRP A 26 -4.312 -4.857 -3.087 1.00 0.00 C ATOM 380 C TRP A 26 -5.275 -5.020 -1.918 1.00 0.00 C ATOM 381 O TRP A 26 -6.442 -4.625 -1.987 1.00 0.00 O ATOM 382 CB TRP A 26 -3.104 -4.021 -2.633 1.00 0.00 C ATOM 383 CG TRP A 26 -2.133 -3.707 -3.730 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.115 -2.594 -4.523 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.038 -4.521 -4.155 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.077 -2.672 -5.419 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.400 -3.845 -5.212 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.532 -5.755 -3.741 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.711 -4.369 -5.867 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.571 -6.273 -4.390 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.185 -5.579 -5.441 1.00 0.00 C ATOM 0 H TRP A 26 -5.622 -3.476 -3.931 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.970 -5.839 -3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.463 -3.087 -2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.581 -4.557 -1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.814 -1.774 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.848 -1.971 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.995 -6.294 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.182 -3.839 -6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.967 -7.229 -4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.050 -6.008 -5.924 1.00 0.00 H new ATOM 402 N HIS A 27 -4.719 -5.425 -0.799 1.00 0.00 N ATOM 403 CA HIS A 27 -5.442 -5.457 0.459 1.00 0.00 C ATOM 404 C HIS A 27 -4.785 -4.454 1.395 1.00 0.00 C ATOM 405 O HIS A 27 -3.652 -4.040 1.144 1.00 0.00 O ATOM 406 CB HIS A 27 -5.378 -6.853 1.081 1.00 0.00 C ATOM 407 CG HIS A 27 -6.504 -7.754 0.697 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.281 -8.972 0.109 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.837 -7.587 0.864 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.465 -9.524 -0.066 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.446 -8.718 0.378 1.00 0.00 N ATOM 0 H HIS A 27 -3.752 -5.743 -0.732 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.490 -5.208 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.438 -7.323 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.363 -6.753 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.328 -6.728 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.626 -10.496 -0.508 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.448 -8.910 0.358 1.00 0.00 H new ATOM 419 N GLU A 28 -5.430 -4.132 2.506 1.00 0.00 N ATOM 420 CA GLU A 28 -4.833 -3.247 3.484 1.00 0.00 C ATOM 421 C GLU A 28 -3.641 -3.923 4.149 1.00 0.00 C ATOM 422 O GLU A 28 -2.575 -3.333 4.299 1.00 0.00 O ATOM 423 CB GLU A 28 -5.851 -2.872 4.551 1.00 0.00 C ATOM 424 CG GLU A 28 -7.265 -2.687 4.036 1.00 0.00 C ATOM 425 CD GLU A 28 -8.291 -3.066 5.076 1.00 0.00 C ATOM 426 OE1 GLU A 28 -8.250 -4.220 5.555 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.128 -2.217 5.436 1.00 0.00 O ATOM 0 H GLU A 28 -6.361 -4.470 2.749 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.500 -2.346 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.856 -3.646 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.530 -1.948 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.412 -1.648 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.410 -3.295 3.143 1.00 0.00 H new ATOM 434 N ASP A 29 -3.865 -5.144 4.608 1.00 0.00 N ATOM 435 CA ASP A 29 -2.853 -5.884 5.356 1.00 0.00 C ATOM 436 C ASP A 29 -1.964 -6.721 4.441 1.00 0.00 C ATOM 437 O ASP A 29 -1.103 -7.470 4.908 1.00 0.00 O ATOM 438 CB ASP A 29 -3.531 -6.785 6.391 1.00 0.00 C ATOM 439 CG ASP A 29 -2.707 -6.966 7.649 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.381 -5.949 8.305 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.389 -8.124 7.997 1.00 0.00 O ATOM 0 H ASP A 29 -4.742 -5.648 4.476 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.215 -5.157 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.499 -6.360 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.722 -7.761 5.945 1.00 0.00 H new ATOM 446 N CYS A 30 -2.157 -6.582 3.139 1.00 0.00 N ATOM 447 CA CYS A 30 -1.366 -7.330 2.173 1.00 0.00 C ATOM 448 C CYS A 30 -0.240 -6.479 1.602 1.00 0.00 C ATOM 449 O CYS A 30 0.892 -6.949 1.475 1.00 0.00 O ATOM 450 CB CYS A 30 -2.244 -7.833 1.035 1.00 0.00 C ATOM 451 SG CYS A 30 -3.038 -9.445 1.347 1.00 0.00 S ATOM 0 H CYS A 30 -2.852 -5.960 2.727 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.930 -8.180 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.019 -7.093 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.638 -7.910 0.132 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.275 -9.403 0.950 1.00 0.00 H new ATOM 456 N LEU A 31 -0.572 -5.268 1.167 1.00 0.00 N ATOM 457 CA LEU A 31 0.408 -4.399 0.529 1.00 0.00 C ATOM 458 C LEU A 31 1.504 -3.994 1.510 1.00 0.00 C ATOM 459 O LEU A 31 1.397 -2.993 2.219 1.00 0.00 O ATOM 460 CB LEU A 31 -0.258 -3.153 -0.067 1.00 0.00 C ATOM 461 CG LEU A 31 0.668 -2.259 -0.902 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.506 -3.082 -1.870 1.00 0.00 C ATOM 463 CD2 LEU A 31 -0.140 -1.219 -1.660 1.00 0.00 C ATOM 0 H LEU A 31 -1.507 -4.868 1.244 1.00 0.00 H new ATOM 0 HA LEU A 31 0.864 -4.964 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.093 -3.470 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.676 -2.559 0.746 1.00 0.00 H new ATOM 0 HG LEU A 31 1.346 -1.750 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.151 -2.419 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.119 -3.789 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.849 -3.628 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.532 -0.593 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.844 -1.719 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.689 -0.598 -0.952 1.00 0.00 H new ATOM 475 N SER A 32 2.582 -4.755 1.487 1.00 0.00 N ATOM 476 CA SER A 32 3.757 -4.468 2.282 1.00 0.00 C ATOM 477 C SER A 32 4.979 -4.557 1.382 1.00 0.00 C ATOM 478 O SER A 32 4.853 -4.914 0.206 1.00 0.00 O ATOM 479 CB SER A 32 3.861 -5.459 3.445 1.00 0.00 C ATOM 480 OG SER A 32 2.622 -6.113 3.668 1.00 0.00 O ATOM 0 H SER A 32 2.666 -5.594 0.913 1.00 0.00 H new ATOM 0 HA SER A 32 3.691 -3.466 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.633 -6.198 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.167 -4.933 4.349 1.00 0.00 H new ATOM 0 HG SER A 32 2.714 -6.742 4.414 1.00 0.00 H new ATOM 486 N CYS A 33 6.145 -4.206 1.893 1.00 0.00 N ATOM 487 CA CYS A 33 7.338 -4.238 1.098 1.00 0.00 C ATOM 488 C CYS A 33 7.835 -5.677 0.921 1.00 0.00 C ATOM 489 O CYS A 33 7.234 -6.618 1.446 1.00 0.00 O ATOM 490 CB CYS A 33 8.395 -3.352 1.725 1.00 0.00 C ATOM 491 SG CYS A 33 8.901 -3.822 3.398 1.00 0.00 S ATOM 0 H CYS A 33 6.281 -3.897 2.855 1.00 0.00 H new ATOM 0 HA CYS A 33 7.116 -3.851 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.275 -3.354 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.020 -2.329 1.750 1.00 0.00 H new ATOM 0 HG CYS A 33 10.092 -4.342 3.361 1.00 0.00 H new ATOM 496 N ASP A 34 8.793 -5.854 0.023 1.00 0.00 N ATOM 497 CA ASP A 34 9.224 -7.186 -0.394 1.00 0.00 C ATOM 498 C ASP A 34 9.830 -8.009 0.739 1.00 0.00 C ATOM 499 O ASP A 34 9.445 -9.159 0.943 1.00 0.00 O ATOM 500 CB ASP A 34 10.228 -7.097 -1.544 1.00 0.00 C ATOM 501 CG ASP A 34 10.242 -8.359 -2.384 1.00 0.00 C ATOM 502 OD1 ASP A 34 9.274 -8.584 -3.138 1.00 0.00 O ATOM 503 OD2 ASP A 34 11.211 -9.141 -2.278 1.00 0.00 O ATOM 0 H ASP A 34 9.290 -5.090 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 34 8.320 -7.699 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.981 -6.244 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.225 -6.918 -1.142 1.00 0.00 H new ATOM 508 N LEU A 35 10.889 -7.506 1.351 1.00 0.00 N ATOM 509 CA LEU A 35 11.648 -8.316 2.299 1.00 0.00 C ATOM 510 C LEU A 35 11.108 -8.205 3.722 1.00 0.00 C ATOM 511 O LEU A 35 10.706 -9.210 4.312 1.00 0.00 O ATOM 512 CB LEU A 35 13.126 -7.930 2.264 1.00 0.00 C ATOM 513 CG LEU A 35 14.074 -8.896 2.975 1.00 0.00 C ATOM 514 CD1 LEU A 35 13.894 -10.313 2.445 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.515 -8.442 2.808 1.00 0.00 C ATOM 0 H LEU A 35 11.241 -6.558 1.215 1.00 0.00 H new ATOM 0 HA LEU A 35 11.538 -9.356 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.437 -7.843 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.237 -6.943 2.713 1.00 0.00 H new ATOM 0 HG LEU A 35 13.832 -8.897 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.578 -10.985 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.867 -10.637 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.108 -10.332 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.178 -9.140 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.767 -8.413 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.635 -7.447 3.237 1.00 0.00 H new ATOM 527 N CYS A 36 11.136 -7.006 4.291 1.00 0.00 N ATOM 528 CA CYS A 36 10.688 -6.814 5.664 1.00 0.00 C ATOM 529 C CYS A 36 9.193 -7.101 5.786 1.00 0.00 C ATOM 530 O CYS A 36 8.781 -7.945 6.585 1.00 0.00 O ATOM 531 CB CYS A 36 11.024 -5.400 6.133 1.00 0.00 C ATOM 532 SG CYS A 36 12.302 -4.583 5.121 1.00 0.00 S ATOM 0 H CYS A 36 11.462 -6.158 3.827 1.00 0.00 H new ATOM 0 HA CYS A 36 11.213 -7.518 6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.117 -4.795 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.362 -5.440 7.168 1.00 0.00 H new ATOM 0 HG CYS A 36 12.525 -3.389 5.585 1.00 0.00 H new ATOM 537 N GLY A 37 8.415 -6.501 4.897 1.00 0.00 N ATOM 538 CA GLY A 37 7.003 -6.810 4.807 1.00 0.00 C ATOM 539 C GLY A 37 6.214 -6.401 6.035 1.00 0.00 C ATOM 540 O GLY A 37 5.347 -7.144 6.496 1.00 0.00 O ATOM 0 H GLY A 37 8.740 -5.800 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.585 -6.310 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.883 -7.882 4.649 1.00 0.00 H new ATOM 710 N TYR A 48 6.850 4.361 -3.518 1.00 0.00 N ATOM 711 CA TYR A 48 8.196 3.808 -3.584 1.00 0.00 C ATOM 712 C TYR A 48 8.136 2.339 -3.994 1.00 0.00 C ATOM 713 O TYR A 48 7.566 1.515 -3.277 1.00 0.00 O ATOM 714 CB TYR A 48 8.881 3.923 -2.218 1.00 0.00 C ATOM 715 CG TYR A 48 9.703 5.178 -2.021 1.00 0.00 C ATOM 716 CD1 TYR A 48 9.164 6.444 -2.236 1.00 0.00 C ATOM 717 CD2 TYR A 48 11.019 5.092 -1.598 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.918 7.584 -2.031 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.779 6.224 -1.395 1.00 0.00 C ATOM 720 CZ TYR A 48 11.226 7.468 -1.611 1.00 0.00 C ATOM 721 OH TYR A 48 11.984 8.599 -1.394 1.00 0.00 O ATOM 0 HA TYR A 48 8.767 4.370 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.118 3.880 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.528 3.057 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.141 6.536 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.458 4.121 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.485 8.559 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.804 6.136 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 48 12.882 8.339 -1.100 1.00 0.00 H new ATOM 731 N TYR A 49 8.689 2.011 -5.151 1.00 0.00 N ATOM 732 CA TYR A 49 8.701 0.632 -5.621 1.00 0.00 C ATOM 733 C TYR A 49 9.760 0.443 -6.704 1.00 0.00 C ATOM 734 O TYR A 49 10.271 1.418 -7.259 1.00 0.00 O ATOM 735 CB TYR A 49 7.302 0.217 -6.117 1.00 0.00 C ATOM 736 CG TYR A 49 7.011 0.524 -7.571 1.00 0.00 C ATOM 737 CD1 TYR A 49 7.064 1.824 -8.061 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.665 -0.494 -8.449 1.00 0.00 C ATOM 739 CE1 TYR A 49 6.785 2.097 -9.388 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.383 -0.229 -9.776 1.00 0.00 C ATOM 741 CZ TYR A 49 6.448 1.068 -10.242 1.00 0.00 C ATOM 742 OH TYR A 49 6.170 1.338 -11.564 1.00 0.00 O ATOM 0 H TYR A 49 9.135 2.678 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 49 8.962 -0.019 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.182 -0.855 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.554 0.716 -5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.327 2.633 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.615 -1.511 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.831 3.112 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.113 -1.033 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 49 5.952 0.504 -12.029 1.00 0.00 H new ATOM 752 N LYS A 50 10.080 -0.807 -7.005 1.00 0.00 N ATOM 753 CA LYS A 50 11.050 -1.125 -8.041 1.00 0.00 C ATOM 754 C LYS A 50 10.329 -1.493 -9.330 1.00 0.00 C ATOM 755 O LYS A 50 9.125 -1.714 -9.308 1.00 0.00 O ATOM 756 CB LYS A 50 11.952 -2.272 -7.593 1.00 0.00 C ATOM 757 CG LYS A 50 13.372 -1.833 -7.272 1.00 0.00 C ATOM 758 CD LYS A 50 14.286 -3.021 -7.030 1.00 0.00 C ATOM 759 CE LYS A 50 15.624 -2.842 -7.728 1.00 0.00 C ATOM 760 NZ LYS A 50 16.386 -4.115 -7.800 1.00 0.00 N ATOM 0 H LYS A 50 9.678 -1.622 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 50 11.672 -0.248 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.517 -2.743 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.982 -3.029 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.763 -1.235 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.364 -1.194 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.446 -3.146 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.805 -3.931 -7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.460 -2.460 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.214 -2.095 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.292 -3.950 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.565 -4.467 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.835 -4.820 -8.329 1.00 0.00 H new ATOM 774 N LEU A 51 11.071 -1.509 -10.437 1.00 0.00 N ATOM 775 CA LEU A 51 10.533 -1.757 -11.789 1.00 0.00 C ATOM 776 C LEU A 51 9.315 -2.695 -11.814 1.00 0.00 C ATOM 777 O LEU A 51 8.293 -2.374 -12.423 1.00 0.00 O ATOM 778 CB LEU A 51 11.641 -2.293 -12.706 1.00 0.00 C ATOM 779 CG LEU A 51 12.032 -3.762 -12.509 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.793 -4.268 -13.719 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.866 -3.936 -11.249 1.00 0.00 C ATOM 0 H LEU A 51 12.078 -1.349 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 51 10.175 -0.795 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.324 -2.159 -13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.531 -1.680 -12.563 1.00 0.00 H new ATOM 0 HG LEU A 51 11.120 -4.348 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.065 -5.312 -13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.165 -4.182 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.697 -3.674 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.131 -4.987 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.774 -3.339 -11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.291 -3.607 -10.384 1.00 0.00 H new ATOM 793 N GLY A 52 9.407 -3.831 -11.135 1.00 0.00 N ATOM 794 CA GLY A 52 8.291 -4.754 -11.088 1.00 0.00 C ATOM 795 C GLY A 52 8.142 -5.392 -9.726 1.00 0.00 C ATOM 796 O GLY A 52 7.643 -6.512 -9.604 1.00 0.00 O ATOM 0 H GLY A 52 10.233 -4.129 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.372 -4.226 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.431 -5.531 -11.839 1.00 0.00 H new ATOM 800 N ARG A 53 8.604 -4.692 -8.699 1.00 0.00 N ATOM 801 CA ARG A 53 8.547 -5.209 -7.338 1.00 0.00 C ATOM 802 C ARG A 53 8.089 -4.129 -6.369 1.00 0.00 C ATOM 803 O ARG A 53 8.660 -3.040 -6.328 1.00 0.00 O ATOM 804 CB ARG A 53 9.917 -5.738 -6.903 1.00 0.00 C ATOM 805 CG ARG A 53 10.579 -6.650 -7.921 1.00 0.00 C ATOM 806 CD ARG A 53 11.141 -7.901 -7.268 1.00 0.00 C ATOM 807 NE ARG A 53 11.995 -8.658 -8.182 1.00 0.00 N ATOM 808 CZ ARG A 53 12.280 -9.952 -8.033 1.00 0.00 C ATOM 809 NH1 ARG A 53 11.746 -10.641 -7.034 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.090 -10.557 -8.890 1.00 0.00 N ATOM 0 H ARG A 53 9.022 -3.765 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 53 7.827 -6.027 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.576 -4.892 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.804 -6.280 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.854 -6.932 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.380 -6.111 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.714 -7.622 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.320 -8.534 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 53 12.397 -8.167 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.115 -10.181 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.966 -11.631 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.496 -10.033 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.307 -11.547 -8.775 1.00 0.00 H new ATOM 824 N LYS A 54 7.109 -4.462 -5.547 1.00 0.00 N ATOM 825 CA LYS A 54 6.628 -3.545 -4.525 1.00 0.00 C ATOM 826 C LYS A 54 7.414 -3.747 -3.235 1.00 0.00 C ATOM 827 O LYS A 54 7.180 -4.704 -2.490 1.00 0.00 O ATOM 828 CB LYS A 54 5.129 -3.749 -4.270 1.00 0.00 C ATOM 829 CG LYS A 54 4.658 -5.188 -4.440 1.00 0.00 C ATOM 830 CD LYS A 54 4.051 -5.731 -3.156 1.00 0.00 C ATOM 831 CE LYS A 54 4.642 -7.082 -2.791 1.00 0.00 C ATOM 832 NZ LYS A 54 5.684 -6.969 -1.736 1.00 0.00 N ATOM 0 H LYS A 54 6.629 -5.362 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 54 6.777 -2.525 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.896 -3.419 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.566 -3.111 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.921 -5.238 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.498 -5.814 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.224 -5.025 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.971 -5.824 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.847 -7.744 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.075 -7.540 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.108 -7.903 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.422 -6.305 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.252 -6.619 -0.857 1.00 0.00 H new ATOM 846 N LEU A 55 8.392 -2.888 -3.013 1.00 0.00 N ATOM 847 CA LEU A 55 9.260 -3.004 -1.854 1.00 0.00 C ATOM 848 C LEU A 55 9.555 -1.632 -1.265 1.00 0.00 C ATOM 849 O LEU A 55 9.187 -0.610 -1.848 1.00 0.00 O ATOM 850 CB LEU A 55 10.561 -3.734 -2.235 1.00 0.00 C ATOM 851 CG LEU A 55 11.679 -2.877 -2.845 1.00 0.00 C ATOM 852 CD1 LEU A 55 12.899 -3.736 -3.139 1.00 0.00 C ATOM 853 CD2 LEU A 55 11.212 -2.186 -4.116 1.00 0.00 C ATOM 0 H LEU A 55 8.606 -2.099 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 55 8.749 -3.592 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.953 -4.219 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.313 -4.524 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 55 11.947 -2.109 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.685 -3.116 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.259 -4.185 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.629 -4.523 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.026 -1.587 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.911 -2.935 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.364 -1.540 -3.888 1.00 0.00 H new ATOM 865 N CYS A 56 10.222 -1.612 -0.123 1.00 0.00 N ATOM 866 CA CYS A 56 10.580 -0.365 0.512 1.00 0.00 C ATOM 867 C CYS A 56 11.891 0.138 -0.044 1.00 0.00 C ATOM 868 O CYS A 56 12.493 -0.486 -0.914 1.00 0.00 O ATOM 869 CB CYS A 56 10.689 -0.524 2.032 1.00 0.00 C ATOM 870 SG CYS A 56 12.056 -1.584 2.589 1.00 0.00 S ATOM 0 H CYS A 56 10.524 -2.447 0.379 1.00 0.00 H new ATOM 0 HA CYS A 56 9.792 0.358 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.807 0.463 2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.752 -0.935 2.409 1.00 0.00 H new ATOM 0 HG CYS A 56 11.602 -2.771 2.861 1.00 0.00 H new ATOM 875 N ARG A 57 12.381 1.204 0.540 1.00 0.00 N ATOM 876 CA ARG A 57 13.692 1.719 0.178 1.00 0.00 C ATOM 877 C ARG A 57 14.754 1.095 1.075 1.00 0.00 C ATOM 878 O ARG A 57 15.953 1.207 0.820 1.00 0.00 O ATOM 879 CB ARG A 57 13.726 3.245 0.291 1.00 0.00 C ATOM 880 CG ARG A 57 14.484 3.928 -0.839 1.00 0.00 C ATOM 881 CD ARG A 57 15.970 4.020 -0.534 1.00 0.00 C ATOM 882 NE ARG A 57 16.507 5.364 -0.755 1.00 0.00 N ATOM 883 CZ ARG A 57 17.715 5.607 -1.260 1.00 0.00 C ATOM 884 NH1 ARG A 57 18.485 4.600 -1.657 1.00 0.00 N ATOM 885 NH2 ARG A 57 18.154 6.854 -1.367 1.00 0.00 N ATOM 0 H ARG A 57 11.899 1.735 1.266 1.00 0.00 H new ATOM 0 HA ARG A 57 13.899 1.454 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.703 3.622 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.184 3.520 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.335 3.374 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.081 4.928 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.143 3.729 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.510 3.309 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 57 15.921 6.161 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.151 3.640 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.410 4.787 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.566 7.630 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.080 7.037 -1.754 1.00 0.00 H new ATOM 899 N ARG A 58 14.299 0.463 2.144 1.00 0.00 N ATOM 900 CA ARG A 58 15.183 -0.124 3.127 1.00 0.00 C ATOM 901 C ARG A 58 15.680 -1.493 2.699 1.00 0.00 C ATOM 902 O ARG A 58 16.888 -1.743 2.671 1.00 0.00 O ATOM 903 CB ARG A 58 14.463 -0.217 4.467 1.00 0.00 C ATOM 904 CG ARG A 58 14.266 1.139 5.104 1.00 0.00 C ATOM 905 CD ARG A 58 12.983 1.795 4.643 1.00 0.00 C ATOM 906 NE ARG A 58 12.936 3.204 5.025 1.00 0.00 N ATOM 907 CZ ARG A 58 12.003 3.733 5.809 1.00 0.00 C ATOM 908 NH1 ARG A 58 11.066 2.965 6.350 1.00 0.00 N ATOM 909 NH2 ARG A 58 12.034 5.028 6.077 1.00 0.00 N ATOM 0 H ARG A 58 13.307 0.345 2.351 1.00 0.00 H new ATOM 0 HA ARG A 58 16.057 0.520 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.493 -0.694 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.035 -0.854 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.250 1.032 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.111 1.782 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.897 1.707 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.130 1.271 5.074 1.00 0.00 H new ATOM 0 HE ARG A 58 13.665 3.821 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.059 1.962 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.353 3.378 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.771 5.613 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.321 5.442 6.678 1.00 0.00 H new ATOM 923 N ASP A 59 14.760 -2.370 2.330 1.00 0.00 N ATOM 924 CA ASP A 59 15.136 -3.699 1.877 1.00 0.00 C ATOM 925 C ASP A 59 15.546 -3.663 0.413 1.00 0.00 C ATOM 926 O ASP A 59 16.256 -4.549 -0.061 1.00 0.00 O ATOM 927 CB ASP A 59 14.032 -4.741 2.153 1.00 0.00 C ATOM 928 CG ASP A 59 12.752 -4.585 1.338 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.838 -4.415 0.102 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.652 -4.748 1.924 1.00 0.00 O ATOM 0 H ASP A 59 13.756 -2.188 2.335 1.00 0.00 H new ATOM 0 HA ASP A 59 16.001 -4.021 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.441 -5.734 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.774 -4.697 3.211 1.00 0.00 H new ATOM 935 N TYR A 60 15.285 -2.526 -0.223 1.00 0.00 N ATOM 936 CA TYR A 60 15.831 -2.250 -1.543 1.00 0.00 C ATOM 937 C TYR A 60 17.319 -1.963 -1.399 1.00 0.00 C ATOM 938 O TYR A 60 18.125 -2.355 -2.241 1.00 0.00 O ATOM 939 CB TYR A 60 15.096 -1.063 -2.189 1.00 0.00 C ATOM 940 CG TYR A 60 15.972 -0.081 -2.950 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.603 0.974 -2.297 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.148 -0.196 -4.325 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.377 1.881 -2.989 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.930 0.709 -5.024 1.00 0.00 C ATOM 945 CZ TYR A 60 17.541 1.744 -4.349 1.00 0.00 C ATOM 946 OH TYR A 60 18.311 2.654 -5.038 1.00 0.00 O ATOM 0 H TYR A 60 14.699 -1.782 0.156 1.00 0.00 H new ATOM 0 HA TYR A 60 15.692 -3.113 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.342 -1.454 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.566 -0.519 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.484 1.084 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.667 -1.004 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.853 2.697 -2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.060 0.604 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 60 18.327 2.416 -5.988 1.00 0.00 H new ATOM 1420 N LEU A 96 1.716 5.702 -1.895 1.00 0.00 N ATOM 1421 CA LEU A 96 0.322 6.112 -1.968 1.00 0.00 C ATOM 1422 C LEU A 96 -0.555 4.880 -1.947 1.00 0.00 C ATOM 1423 O LEU A 96 -0.119 3.809 -2.365 1.00 0.00 O ATOM 1424 CB LEU A 96 0.022 6.921 -3.232 1.00 0.00 C ATOM 1425 CG LEU A 96 1.088 6.874 -4.316 1.00 0.00 C ATOM 1426 CD1 LEU A 96 0.518 6.305 -5.606 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.651 8.264 -4.538 1.00 0.00 C ATOM 0 HA LEU A 96 0.117 6.752 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.916 6.563 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.134 7.961 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 96 1.895 6.217 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.297 6.280 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.153 5.294 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.305 6.933 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.415 8.227 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.850 8.936 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.094 8.630 -3.611 1.00 0.00 H new ATOM 1439 N ILE A 97 -1.791 5.042 -1.505 1.00 0.00 N ATOM 1440 CA ILE A 97 -2.768 3.961 -1.533 1.00 0.00 C ATOM 1441 C ILE A 97 -4.173 4.519 -1.412 1.00 0.00 C ATOM 1442 O ILE A 97 -4.480 5.274 -0.490 1.00 0.00 O ATOM 1443 CB ILE A 97 -2.577 2.906 -0.425 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -1.613 3.391 0.652 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -2.098 1.595 -1.028 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -1.565 2.494 1.870 1.00 0.00 C ATOM 0 H ILE A 97 -2.145 5.917 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.613 3.463 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.542 2.742 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.612 3.465 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.903 4.395 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.966 0.857 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.836 1.232 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.147 1.754 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.859 2.901 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.556 2.439 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.246 1.495 1.574 1.00 0.00 H new ATOM 1458 N THR A 98 -5.016 4.152 -2.353 1.00 0.00 N ATOM 1459 CA THR A 98 -6.388 4.605 -2.369 1.00 0.00 C ATOM 1460 C THR A 98 -7.276 3.704 -1.526 1.00 0.00 C ATOM 1461 O THR A 98 -7.520 2.547 -1.878 1.00 0.00 O ATOM 1462 CB THR A 98 -6.924 4.650 -3.804 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.959 4.089 -4.704 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.206 6.081 -4.194 1.00 0.00 C ATOM 0 H THR A 98 -4.770 3.533 -3.126 1.00 0.00 H new ATOM 0 HA THR A 98 -6.406 5.609 -1.945 1.00 0.00 H new ATOM 0 HB THR A 98 -7.845 4.069 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.309 4.119 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.587 6.112 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.948 6.503 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.286 6.663 -4.133 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.771 4.246 -0.426 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.678 3.517 0.448 1.00 0.00 C ATOM 1474 C ARG A 99 -10.066 3.493 -0.172 1.00 0.00 C ATOM 1475 O ARG A 99 -10.798 4.482 -0.112 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.734 4.181 1.825 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.543 3.868 2.716 1.00 0.00 C ATOM 1478 CD ARG A 99 -7.490 2.401 3.095 1.00 0.00 C ATOM 1479 NE ARG A 99 -8.369 2.078 4.215 1.00 0.00 N ATOM 1480 CZ ARG A 99 -8.097 1.148 5.124 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -6.886 0.598 5.176 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -9.012 0.811 6.018 1.00 0.00 N ATOM 0 H ARG A 99 -7.559 5.194 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.316 2.496 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.801 5.261 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.646 3.865 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.622 4.143 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.597 4.475 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.770 1.796 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.465 2.133 3.353 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.243 2.596 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.164 0.890 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.680 -0.116 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.925 1.265 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.804 0.097 6.716 1.00 0.00 H new ATOM 1496 N LEU A 100 -10.396 2.405 -0.842 1.00 0.00 N ATOM 1497 CA LEU A 100 -11.670 2.319 -1.529 1.00 0.00 C ATOM 1498 C LEU A 100 -12.573 1.287 -0.891 1.00 0.00 C ATOM 1499 O LEU A 100 -12.139 0.457 -0.094 1.00 0.00 O ATOM 1500 CB LEU A 100 -11.479 1.984 -3.001 1.00 0.00 C ATOM 1501 CG LEU A 100 -12.391 2.749 -3.959 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -11.739 4.056 -4.384 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.725 1.901 -5.175 1.00 0.00 C ATOM 0 H LEU A 100 -9.806 1.577 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.143 3.298 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.442 2.184 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.645 0.916 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.320 2.979 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.402 4.588 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.552 4.672 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.795 3.845 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.375 2.465 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.806 1.638 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.234 0.991 -4.856 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.819 1.319 -1.306 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.828 0.394 -0.818 1.00 0.00 C ATOM 1517 C GLU A 101 -15.221 -0.572 -1.927 1.00 0.00 C ATOM 1518 O GLU A 101 -15.359 -0.170 -3.083 1.00 0.00 O ATOM 1519 CB GLU A 101 -16.058 1.165 -0.323 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.988 2.661 -0.604 1.00 0.00 C ATOM 1521 CD GLU A 101 -16.203 3.517 0.628 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -17.191 3.289 1.352 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.383 4.434 0.873 1.00 0.00 O ATOM 0 H GLU A 101 -14.167 1.988 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.416 -0.174 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.950 0.755 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.168 1.009 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.015 2.897 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.739 2.918 -1.351 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.364 -1.845 -1.589 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.721 -2.855 -2.580 1.00 0.00 C ATOM 1532 C ASN A 102 -17.176 -2.684 -2.998 1.00 0.00 C ATOM 1533 O ASN A 102 -17.472 -2.453 -4.170 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.485 -4.259 -2.019 1.00 0.00 C ATOM 1535 CG ASN A 102 -16.049 -5.361 -2.899 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -16.004 -5.283 -4.127 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -16.571 -6.403 -2.272 1.00 0.00 N ATOM 0 H ASN A 102 -15.240 -2.204 -0.642 1.00 0.00 H new ATOM 0 HA ASN A 102 -15.088 -2.726 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.414 -4.417 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.936 -4.328 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.956 -7.181 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.589 -6.428 -1.252 1.00 0.00 H new ATOM 1544 N THR A 103 -18.061 -2.682 -2.016 1.00 0.00 N ATOM 1545 CA THR A 103 -19.465 -2.400 -2.252 1.00 0.00 C ATOM 1546 C THR A 103 -19.906 -1.232 -1.375 1.00 0.00 C ATOM 1547 O THR A 103 -19.772 -0.069 -1.760 1.00 0.00 O ATOM 1548 CB THR A 103 -20.345 -3.637 -1.972 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.563 -4.834 -2.092 1.00 0.00 O ATOM 1550 CG2 THR A 103 -21.519 -3.692 -2.931 1.00 0.00 C ATOM 0 H THR A 103 -17.829 -2.874 -1.041 1.00 0.00 H new ATOM 0 HA THR A 103 -19.589 -2.137 -3.303 1.00 0.00 H new ATOM 0 HB THR A 103 -20.731 -3.559 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 103 -20.128 -5.614 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 103 -22.125 -4.572 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 103 -22.127 -2.795 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 103 -21.150 -3.749 -3.955 1.00 0.00 H new