USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 72 LYS NZ :NH3+ -145:sc= 1.35 (180deg=0.442) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0.909 USER MOD Set 2.1: A 64 SER OG : rot -114:sc= 1.1 USER MOD Set 2.2: A 65 THR OG1 : rot 52:sc= 1.32 USER MOD Set 3.1: A 49 GLN : amide:sc= 1.11 K(o=2,f=-1.8) USER MOD Set 3.2: A 57 ASN : amide:sc= 0.884 K(o=2,f=-1.7!) USER MOD Set 4.1: A 39 HIS : no HE2:sc= 0.669 K(o=1.7,f=-2!) USER MOD Set 4.2: A 63 HIS : no HE2:sc= 1.03 K(o=1.7,f=-3.7!) USER MOD Set 5.1: A 26 HIS : no HD1:sc= -0.335 K(o=-0.34,f=-0.94) USER MOD Set 5.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 21 THR OG1 : rot 84:sc= 1.23 USER MOD Set 6.2: A 33 THR OG1 : rot 178:sc= 2.87 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 13 GLN : amide:sc= -0.197 K(o=-0.2,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 2.14 (180deg=1.98) USER MOD Single : A 15 HIS : no HE2:sc= -0.784 K(o=-0.78,f=-6.1!) USER MOD Single : A 16 ASN : amide:sc= 1.1 K(o=1.1,f=-4.1!) USER MOD Single : A 20 SER OG : rot 30:sc= 0.165 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0.711 (180deg=0.0219) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0.749 (180deg=0.73) USER MOD Single : A 55 THR OG1 : rot 98:sc= 1.8 USER MOD Single : A 61 HIS : no HE2:sc= 0.223 K(o=0.22,f=-1.3) USER MOD Single : A 71 SER OG : rot -49:sc= 1.28 USER MOD Single : A 80 HIS : no HD1:sc= -1.98! K(o=-2!,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -8.074 12.669 -0.816 1.00 10.00 N ATOM 52 CA TYR A 6 -9.057 11.628 -0.728 1.00 10.00 C ATOM 53 C TYR A 6 -9.443 11.045 -2.083 1.00 10.00 C ATOM 54 O TYR A 6 -10.565 11.129 -2.579 1.00 10.00 O ATOM 55 CB TYR A 6 -10.248 12.024 0.116 1.00 10.00 C ATOM 56 CG TYR A 6 -10.188 11.832 1.609 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.094 10.511 2.047 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.479 12.842 2.543 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.969 10.216 3.398 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.515 12.524 3.917 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.230 11.213 4.347 1.00 10.00 C ATOM 62 OH TYR A 6 -10.348 10.850 5.660 1.00 10.00 O ATOM 0 HA TYR A 6 -8.575 10.807 -0.196 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.446 13.079 -0.071 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -11.110 11.468 -0.252 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.119 9.707 1.326 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.673 13.851 2.212 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.673 9.227 3.714 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.761 13.287 4.641 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.528 11.645 6.204 1.00 10.00 H new ATOM 72 N TYR A 7 -8.451 10.337 -2.587 1.00 10.00 N ATOM 73 CA TYR A 7 -8.573 9.212 -3.461 1.00 10.00 C ATOM 74 C TYR A 7 -9.772 8.315 -3.152 1.00 10.00 C ATOM 75 O TYR A 7 -9.991 7.879 -2.024 1.00 10.00 O ATOM 76 CB TYR A 7 -7.264 8.454 -3.263 1.00 10.00 C ATOM 77 CG TYR A 7 -6.095 8.969 -4.091 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.303 9.514 -5.376 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.840 9.130 -3.477 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.314 10.310 -5.981 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.853 9.928 -4.080 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.089 10.518 -5.331 1.00 10.00 C ATOM 83 OH TYR A 7 -3.139 11.313 -5.899 1.00 10.00 O ATOM 0 H TYR A 7 -7.478 10.557 -2.376 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.746 9.535 -4.488 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.991 8.498 -2.209 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.428 7.404 -3.506 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.228 9.318 -5.898 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.634 8.638 -2.538 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.498 10.761 -6.945 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.910 10.088 -3.579 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.352 11.350 -5.316 1.00 10.00 H new ATOM 93 N THR A 8 -10.540 8.018 -4.191 1.00 10.00 N ATOM 94 CA THR A 8 -11.745 7.223 -4.106 1.00 10.00 C ATOM 95 C THR A 8 -11.390 5.741 -4.140 1.00 10.00 C ATOM 96 O THR A 8 -10.408 5.353 -4.769 1.00 10.00 O ATOM 97 CB THR A 8 -12.662 7.625 -5.266 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.916 7.595 -6.467 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.186 9.044 -5.025 1.00 10.00 C ATOM 0 H THR A 8 -10.332 8.334 -5.138 1.00 10.00 H new ATOM 0 HA THR A 8 -12.269 7.402 -3.167 1.00 10.00 H new ATOM 0 HB THR A 8 -13.503 6.935 -5.336 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.493 7.849 -7.217 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.839 9.335 -5.848 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.746 9.071 -4.090 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.346 9.737 -4.966 1.00 10.00 H new ATOM 107 N LEU A 9 -12.195 4.899 -3.489 1.00 10.00 N ATOM 108 CA LEU A 9 -12.054 3.452 -3.582 1.00 10.00 C ATOM 109 C LEU A 9 -12.017 2.985 -5.034 1.00 10.00 C ATOM 110 O LEU A 9 -11.227 2.101 -5.347 1.00 10.00 O ATOM 111 CB LEU A 9 -13.092 2.770 -2.691 1.00 10.00 C ATOM 112 CG LEU A 9 -13.325 1.268 -2.938 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.794 0.615 -1.631 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.390 1.007 -4.011 1.00 10.00 C ATOM 0 H LEU A 9 -12.959 5.203 -2.886 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.086 3.142 -3.189 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.790 2.903 -1.652 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.043 3.288 -2.816 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.382 0.846 -3.286 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.962 -0.449 -1.796 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.031 0.748 -0.864 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.723 1.082 -1.304 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.515 -0.067 -4.146 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.337 1.446 -3.698 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.075 1.457 -4.953 1.00 10.00 H new ATOM 126 N GLU A 10 -12.789 3.623 -5.925 1.00 10.00 N ATOM 127 CA GLU A 10 -12.633 3.435 -7.365 1.00 10.00 C ATOM 128 C GLU A 10 -11.151 3.468 -7.729 1.00 10.00 C ATOM 129 O GLU A 10 -10.594 2.487 -8.217 1.00 10.00 O ATOM 130 CB GLU A 10 -13.362 4.535 -8.158 1.00 10.00 C ATOM 131 CG GLU A 10 -13.120 4.346 -9.669 1.00 10.00 C ATOM 132 CD GLU A 10 -13.594 5.507 -10.525 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.520 6.220 -10.085 1.00 10.00 O ATOM 134 OE2 GLU A 10 -12.981 5.657 -11.609 1.00 10.00 O ATOM 0 H GLU A 10 -13.529 4.275 -5.667 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.069 2.470 -7.624 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.431 4.500 -7.946 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.007 5.517 -7.845 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -12.054 4.195 -9.839 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.626 3.438 -9.996 1.00 10.00 H new ATOM 141 N GLU A 11 -10.530 4.630 -7.525 1.00 10.00 N ATOM 142 CA GLU A 11 -9.161 4.833 -7.944 1.00 10.00 C ATOM 143 C GLU A 11 -8.255 3.864 -7.229 1.00 10.00 C ATOM 144 O GLU A 11 -7.304 3.345 -7.803 1.00 10.00 O ATOM 145 CB GLU A 11 -8.673 6.245 -7.621 1.00 10.00 C ATOM 146 CG GLU A 11 -9.178 7.302 -8.609 1.00 10.00 C ATOM 147 CD GLU A 11 -8.589 7.138 -10.009 1.00 10.00 C ATOM 148 OE1 GLU A 11 -9.057 6.234 -10.740 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.679 7.928 -10.334 1.00 10.00 O ATOM 0 H GLU A 11 -10.960 5.437 -7.073 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.132 4.678 -9.022 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.998 6.513 -6.616 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.583 6.253 -7.617 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.265 7.246 -8.669 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.930 8.294 -8.230 1.00 10.00 H new ATOM 156 N ILE A 12 -8.511 3.659 -5.947 1.00 10.00 N ATOM 157 CA ILE A 12 -7.608 2.850 -5.184 1.00 10.00 C ATOM 158 C ILE A 12 -7.594 1.440 -5.773 1.00 10.00 C ATOM 159 O ILE A 12 -6.522 0.919 -6.072 1.00 10.00 O ATOM 160 CB ILE A 12 -7.959 2.914 -3.692 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.757 4.342 -3.143 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.081 1.925 -2.934 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.632 4.659 -1.929 1.00 10.00 C ATOM 0 H ILE A 12 -9.312 4.032 -5.437 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.588 3.229 -5.249 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.008 2.651 -3.558 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.710 4.473 -2.870 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.973 5.061 -3.934 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.323 1.963 -1.872 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.259 0.918 -3.311 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.032 2.186 -3.077 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.437 5.679 -1.597 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.683 4.561 -2.202 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.400 3.964 -1.122 1.00 10.00 H new ATOM 175 N GLN A 13 -8.776 0.870 -6.014 1.00 10.00 N ATOM 176 CA GLN A 13 -8.907 -0.417 -6.688 1.00 10.00 C ATOM 177 C GLN A 13 -8.185 -0.381 -8.037 1.00 10.00 C ATOM 178 O GLN A 13 -7.391 -1.263 -8.363 1.00 10.00 O ATOM 179 CB GLN A 13 -10.392 -0.727 -6.929 1.00 10.00 C ATOM 180 CG GLN A 13 -11.174 -1.052 -5.643 1.00 10.00 C ATOM 181 CD GLN A 13 -11.404 -2.541 -5.393 1.00 10.00 C ATOM 182 OE1 GLN A 13 -11.435 -3.301 -6.386 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.614 -2.882 -4.209 1.00 10.00 N ATOM 0 H GLN A 13 -9.667 1.289 -5.747 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.464 -1.187 -6.057 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.857 0.128 -7.420 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.471 -1.571 -7.615 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.636 -0.634 -4.792 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -12.141 -0.551 -5.686 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.566 -2.189 -3.462 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -11.833 -3.854 -3.989 1.00 10.00 H new ATOM 190 N LYS A 14 -8.486 0.655 -8.828 1.00 10.00 N ATOM 191 CA LYS A 14 -7.929 0.892 -10.154 1.00 10.00 C ATOM 192 C LYS A 14 -6.394 0.787 -10.102 1.00 10.00 C ATOM 193 O LYS A 14 -5.758 0.184 -10.967 1.00 10.00 O ATOM 194 CB LYS A 14 -8.400 2.288 -10.604 1.00 10.00 C ATOM 195 CG LYS A 14 -8.231 2.690 -12.075 1.00 10.00 C ATOM 196 CD LYS A 14 -9.515 2.539 -12.913 1.00 10.00 C ATOM 197 CE LYS A 14 -10.760 3.319 -12.430 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.554 4.773 -12.230 1.00 10.00 N ATOM 0 H LYS A 14 -9.150 1.376 -8.546 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.270 0.147 -10.873 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.459 2.373 -10.359 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.872 3.025 -9.998 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.897 3.727 -12.123 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.444 2.081 -12.520 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.293 2.852 -13.933 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.772 1.480 -12.953 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.561 3.178 -13.155 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.100 2.884 -11.490 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.360 5.169 -11.705 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -9.679 4.929 -11.691 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.479 5.243 -13.155 1.00 10.00 H new ATOM 212 N HIS A 15 -5.795 1.384 -9.071 1.00 10.00 N ATOM 213 CA HIS A 15 -4.360 1.472 -8.873 1.00 10.00 C ATOM 214 C HIS A 15 -3.750 0.167 -8.342 1.00 10.00 C ATOM 215 O HIS A 15 -3.218 0.082 -7.233 1.00 10.00 O ATOM 216 CB HIS A 15 -4.061 2.673 -7.983 1.00 10.00 C ATOM 217 CG HIS A 15 -3.859 3.942 -8.764 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.630 4.486 -9.031 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.797 4.685 -9.430 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.814 5.542 -9.839 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.118 5.698 -10.117 1.00 10.00 N ATOM 0 H HIS A 15 -6.324 1.836 -8.325 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.878 1.622 -9.839 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.882 2.812 -7.280 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.167 2.469 -7.393 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.734 4.148 -8.678 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.864 4.520 -9.426 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.024 6.177 -10.213 1.00 10.00 H new ATOM 229 N ASN A 16 -3.739 -0.837 -9.214 1.00 10.00 N ATOM 230 CA ASN A 16 -3.029 -2.099 -9.025 1.00 10.00 C ATOM 231 C ASN A 16 -2.726 -2.717 -10.388 1.00 10.00 C ATOM 232 O ASN A 16 -3.455 -3.583 -10.863 1.00 10.00 O ATOM 233 CB ASN A 16 -3.848 -3.046 -8.137 1.00 10.00 C ATOM 234 CG ASN A 16 -3.154 -4.389 -7.884 1.00 10.00 C ATOM 235 OD1 ASN A 16 -2.106 -4.710 -8.450 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.725 -5.175 -6.979 1.00 10.00 N ATOM 0 H ASN A 16 -4.241 -0.793 -10.101 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.083 -1.918 -8.514 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.043 -2.560 -7.181 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.815 -3.227 -8.606 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.297 -6.069 -6.737 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.592 -4.885 -6.526 1.00 10.00 H new ATOM 290 N SER A 20 1.474 2.063 -10.263 1.00 10.00 N ATOM 291 CA SER A 20 1.345 3.034 -9.193 1.00 10.00 C ATOM 292 C SER A 20 0.426 2.356 -8.180 1.00 10.00 C ATOM 293 O SER A 20 -0.759 2.658 -8.092 1.00 10.00 O ATOM 294 CB SER A 20 0.751 4.321 -9.760 1.00 10.00 C ATOM 295 OG SER A 20 1.489 4.792 -10.875 1.00 10.00 O ATOM 0 HA SER A 20 2.289 3.317 -8.727 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.283 4.145 -10.056 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.735 5.087 -8.985 1.00 10.00 H new ATOM 0 HG SER A 20 1.893 4.032 -11.344 1.00 10.00 H new ATOM 301 N THR A 21 0.965 1.302 -7.580 1.00 10.00 N ATOM 302 CA THR A 21 0.304 0.254 -6.825 1.00 10.00 C ATOM 303 C THR A 21 -0.081 0.771 -5.438 1.00 10.00 C ATOM 304 O THR A 21 0.801 0.996 -4.610 1.00 10.00 O ATOM 305 CB THR A 21 1.302 -0.908 -6.732 1.00 10.00 C ATOM 306 OG1 THR A 21 1.724 -1.289 -8.033 1.00 10.00 O ATOM 307 CG2 THR A 21 0.731 -2.123 -5.999 1.00 10.00 C ATOM 0 H THR A 21 1.973 1.148 -7.616 1.00 10.00 H new ATOM 0 HA THR A 21 -0.617 -0.073 -7.307 1.00 10.00 H new ATOM 0 HB THR A 21 2.152 -0.551 -6.150 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.455 -0.705 -8.324 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.481 -2.913 -5.964 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.456 -1.839 -4.983 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.152 -2.484 -6.526 1.00 10.00 H new ATOM 315 N TRP A 22 -1.384 0.948 -5.196 1.00 10.00 N ATOM 316 CA TRP A 22 -1.929 1.605 -4.012 1.00 10.00 C ATOM 317 C TRP A 22 -2.358 0.571 -2.983 1.00 10.00 C ATOM 318 O TRP A 22 -2.681 -0.550 -3.352 1.00 10.00 O ATOM 319 CB TRP A 22 -3.101 2.500 -4.437 1.00 10.00 C ATOM 320 CG TRP A 22 -2.679 3.778 -5.110 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.436 4.046 -5.560 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.476 4.930 -5.514 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.411 5.235 -6.242 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.662 5.809 -6.293 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.804 5.332 -5.294 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.172 6.963 -6.902 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.347 6.443 -5.956 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.550 7.219 -6.813 1.00 10.00 C ATOM 0 H TRP A 22 -2.107 0.627 -5.840 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.165 2.226 -3.545 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.746 1.940 -5.114 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.697 2.744 -3.557 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.577 3.410 -5.404 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.574 5.642 -6.658 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.418 4.775 -4.602 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.519 7.642 -7.429 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.384 6.703 -5.806 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.994 8.009 -7.401 1.00 10.00 H new ATOM 339 N LEU A 23 -2.395 0.924 -1.699 1.00 10.00 N ATOM 340 CA LEU A 23 -3.077 0.130 -0.686 1.00 10.00 C ATOM 341 C LEU A 23 -3.574 1.043 0.423 1.00 10.00 C ATOM 342 O LEU A 23 -3.066 2.158 0.566 1.00 10.00 O ATOM 343 CB LEU A 23 -2.219 -1.017 -0.114 1.00 10.00 C ATOM 344 CG LEU A 23 -0.754 -1.155 -0.543 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.121 -0.298 0.350 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.312 -2.606 -0.354 1.00 10.00 C ATOM 0 H LEU A 23 -1.953 1.768 -1.335 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.921 -0.356 -1.176 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.233 -0.924 0.972 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.720 -1.953 -0.360 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.660 -0.847 -1.584 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.162 -0.398 0.043 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.184 0.745 0.265 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.015 -0.624 1.385 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.730 -2.712 -0.657 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.414 -2.884 0.695 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.936 -3.259 -0.965 1.00 10.00 H new ATOM 358 N ILE A 24 -4.554 0.566 1.202 1.00 10.00 N ATOM 359 CA ILE A 24 -4.977 1.248 2.418 1.00 10.00 C ATOM 360 C ILE A 24 -4.168 0.745 3.588 1.00 10.00 C ATOM 361 O ILE A 24 -4.142 -0.458 3.834 1.00 10.00 O ATOM 362 CB ILE A 24 -6.464 1.047 2.761 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.410 0.929 1.567 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.929 2.129 3.740 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.502 2.210 0.748 1.00 10.00 C ATOM 0 H ILE A 24 -5.066 -0.294 1.005 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.818 2.310 2.231 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.520 0.066 3.232 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.073 0.117 0.923 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -8.404 0.661 1.924 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.982 1.978 3.976 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.340 2.069 4.655 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.796 3.111 3.287 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.189 2.061 -0.085 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.867 3.020 1.379 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.515 2.467 0.363 1.00 10.00 H new ATOM 377 N LEU A 25 -3.569 1.686 4.315 1.00 10.00 N ATOM 378 CA LEU A 25 -2.959 1.478 5.610 1.00 10.00 C ATOM 379 C LEU A 25 -3.593 2.543 6.518 1.00 10.00 C ATOM 380 O LEU A 25 -3.385 3.742 6.351 1.00 10.00 O ATOM 381 CB LEU A 25 -1.432 1.585 5.474 1.00 10.00 C ATOM 382 CG LEU A 25 -0.690 0.247 5.258 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.105 -0.514 3.999 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.834 0.438 5.178 1.00 10.00 C ATOM 0 H LEU A 25 -3.497 2.652 3.997 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.132 0.491 6.038 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.204 2.246 4.638 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.037 2.059 6.372 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.974 -0.338 6.133 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.534 -1.440 3.928 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.169 -0.747 4.049 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.909 0.101 3.121 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.314 -0.529 5.026 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.075 1.098 4.345 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.195 0.880 6.107 1.00 10.00 H new ATOM 396 N HIS A 26 -4.447 2.126 7.452 1.00 10.00 N ATOM 397 CA HIS A 26 -5.034 2.984 8.478 1.00 10.00 C ATOM 398 C HIS A 26 -5.894 4.090 7.845 1.00 10.00 C ATOM 399 O HIS A 26 -5.806 5.257 8.232 1.00 10.00 O ATOM 400 CB HIS A 26 -3.941 3.562 9.404 1.00 10.00 C ATOM 401 CG HIS A 26 -2.761 2.653 9.668 1.00 10.00 C ATOM 402 ND1 HIS A 26 -2.746 1.503 10.427 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.524 2.780 9.094 1.00 10.00 C ATOM 404 CE1 HIS A 26 -1.530 0.945 10.287 1.00 10.00 C ATOM 405 NE2 HIS A 26 -0.748 1.691 9.490 1.00 10.00 N ATOM 0 H HIS A 26 -4.757 1.156 7.517 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.695 2.376 9.096 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.572 4.489 8.966 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.398 3.821 10.359 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.205 3.584 8.447 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -1.224 0.020 10.753 1.00 10.00 H new ATOM 0 HE2 HIS A 26 0.219 1.500 9.227 1.00 10.00 H new ATOM 413 N TYR A 27 -6.692 3.736 6.833 1.00 10.00 N ATOM 414 CA TYR A 27 -7.556 4.646 6.079 1.00 10.00 C ATOM 415 C TYR A 27 -6.798 5.810 5.407 1.00 10.00 C ATOM 416 O TYR A 27 -7.426 6.735 4.887 1.00 10.00 O ATOM 417 CB TYR A 27 -8.750 5.106 6.942 1.00 10.00 C ATOM 418 CG TYR A 27 -9.839 4.082 7.257 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.808 2.768 6.739 1.00 10.00 C ATOM 420 CD2 TYR A 27 -11.002 4.519 7.925 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.963 1.966 6.767 1.00 10.00 C ATOM 422 CE2 TYR A 27 -12.120 3.678 8.037 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.134 2.440 7.377 1.00 10.00 C ATOM 424 OH TYR A 27 -13.300 1.746 7.277 1.00 10.00 O ATOM 0 H TYR A 27 -6.755 2.772 6.505 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.960 4.080 5.240 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.356 5.477 7.888 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.220 5.951 6.439 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.893 2.377 6.319 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.032 5.510 8.354 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -10.948 0.984 6.318 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.969 3.984 8.631 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.007 2.222 7.762 1.00 10.00 H new ATOM 434 N LYS A 28 -5.461 5.757 5.345 1.00 10.00 N ATOM 435 CA LYS A 28 -4.691 6.557 4.401 1.00 10.00 C ATOM 436 C LYS A 28 -4.293 5.635 3.247 1.00 10.00 C ATOM 437 O LYS A 28 -4.354 4.414 3.395 1.00 10.00 O ATOM 438 CB LYS A 28 -3.474 7.202 5.082 1.00 10.00 C ATOM 439 CG LYS A 28 -3.690 8.666 5.466 1.00 10.00 C ATOM 440 CD LYS A 28 -4.881 8.922 6.396 1.00 10.00 C ATOM 441 CE LYS A 28 -4.574 8.743 7.892 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.209 7.358 8.250 1.00 10.00 N ATOM 0 H LYS A 28 -4.892 5.161 5.946 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.285 7.387 4.019 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.226 6.633 5.978 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.616 7.134 4.413 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.785 9.037 5.948 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.828 9.249 4.555 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.242 9.937 6.231 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.691 8.247 6.121 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.759 9.410 8.171 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.445 9.044 8.474 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.262 7.241 9.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.867 6.696 7.792 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.240 7.160 7.929 1.00 10.00 H new ATOM 456 N VAL A 29 -3.914 6.227 2.112 1.00 10.00 N ATOM 457 CA VAL A 29 -3.631 5.549 0.854 1.00 10.00 C ATOM 458 C VAL A 29 -2.144 5.696 0.518 1.00 10.00 C ATOM 459 O VAL A 29 -1.568 6.780 0.636 1.00 10.00 O ATOM 460 CB VAL A 29 -4.530 6.127 -0.242 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.195 5.619 -1.635 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.982 5.735 0.003 1.00 10.00 C ATOM 0 H VAL A 29 -3.792 7.238 2.047 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.846 4.484 0.935 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.369 7.204 -0.198 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.872 6.071 -2.360 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.168 5.886 -1.883 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.304 4.535 -1.663 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.610 6.153 -0.784 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -6.071 4.649 -0.000 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.305 6.123 0.969 1.00 10.00 H new ATOM 472 N TYR A 30 -1.535 4.563 0.166 1.00 10.00 N ATOM 473 CA TYR A 30 -0.102 4.319 0.194 1.00 10.00 C ATOM 474 C TYR A 30 0.288 3.738 -1.163 1.00 10.00 C ATOM 475 O TYR A 30 -0.202 2.660 -1.484 1.00 10.00 O ATOM 476 CB TYR A 30 0.135 3.300 1.324 1.00 10.00 C ATOM 477 CG TYR A 30 0.132 3.903 2.717 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.064 4.414 3.248 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.262 3.818 3.548 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.122 4.866 4.568 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.170 4.219 4.895 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.011 4.761 5.402 1.00 10.00 C ATOM 483 OH TYR A 30 -0.093 5.136 6.709 1.00 10.00 O ATOM 0 H TYR A 30 -2.060 3.752 -0.162 1.00 10.00 H new ATOM 0 HA TYR A 30 0.490 5.217 0.373 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.635 2.531 1.272 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.092 2.805 1.157 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.948 4.458 2.629 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.197 3.447 3.155 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.036 5.301 4.946 1.00 10.00 H new ATOM 0 HE2 TYR A 30 2.026 4.105 5.544 1.00 10.00 H new ATOM 0 HH TYR A 30 0.773 4.995 7.145 1.00 10.00 H new ATOM 493 N ASP A 31 1.127 4.430 -1.947 1.00 10.00 N ATOM 494 CA ASP A 31 1.586 3.977 -3.264 1.00 10.00 C ATOM 495 C ASP A 31 2.995 3.430 -3.113 1.00 10.00 C ATOM 496 O ASP A 31 3.754 3.971 -2.308 1.00 10.00 O ATOM 497 CB ASP A 31 1.608 5.123 -4.284 1.00 10.00 C ATOM 498 CG ASP A 31 1.705 4.645 -5.735 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.185 3.514 -5.963 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.214 5.399 -6.606 1.00 10.00 O ATOM 0 H ASP A 31 1.511 5.336 -1.677 1.00 10.00 H new ATOM 0 HA ASP A 31 0.897 3.215 -3.628 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.705 5.721 -4.166 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.453 5.776 -4.067 1.00 10.00 H new ATOM 505 N LEU A 32 3.353 2.385 -3.860 1.00 10.00 N ATOM 506 CA LEU A 32 4.705 1.847 -3.827 1.00 10.00 C ATOM 507 C LEU A 32 5.293 1.657 -5.237 1.00 10.00 C ATOM 508 O LEU A 32 6.247 2.340 -5.601 1.00 10.00 O ATOM 509 CB LEU A 32 4.806 0.579 -2.948 1.00 10.00 C ATOM 510 CG LEU A 32 3.727 0.305 -1.880 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.065 -1.022 -1.185 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.636 1.362 -0.776 1.00 10.00 C ATOM 0 H LEU A 32 2.721 1.897 -4.495 1.00 10.00 H new ATOM 0 HA LEU A 32 5.333 2.596 -3.344 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.828 -0.281 -3.617 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.769 0.611 -2.438 1.00 10.00 H new ATOM 0 HG LEU A 32 2.776 0.301 -2.412 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.314 -1.236 -0.425 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.076 -1.826 -1.921 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.046 -0.947 -0.715 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.851 1.086 -0.072 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.589 1.423 -0.251 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.402 2.331 -1.218 1.00 10.00 H new ATOM 524 N THR A 33 4.777 0.687 -6.003 1.00 10.00 N ATOM 525 CA THR A 33 5.319 0.166 -7.266 1.00 10.00 C ATOM 526 C THR A 33 6.835 -0.064 -7.284 1.00 10.00 C ATOM 527 O THR A 33 7.263 -1.209 -7.248 1.00 10.00 O ATOM 528 CB THR A 33 4.829 0.939 -8.495 1.00 10.00 C ATOM 529 OG1 THR A 33 3.441 0.733 -8.602 1.00 10.00 O ATOM 530 CG2 THR A 33 5.463 0.423 -9.794 1.00 10.00 C ATOM 0 H THR A 33 3.913 0.214 -5.740 1.00 10.00 H new ATOM 0 HA THR A 33 4.895 -0.836 -7.330 1.00 10.00 H new ATOM 0 HB THR A 33 5.098 1.987 -8.367 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.093 1.238 -9.366 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.086 1.001 -10.638 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.546 0.529 -9.737 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.208 -0.628 -9.931 1.00 10.00 H new ATOM 538 N LYS A 34 7.671 0.977 -7.344 1.00 10.00 N ATOM 539 CA LYS A 34 9.121 0.797 -7.342 1.00 10.00 C ATOM 540 C LYS A 34 9.541 -0.096 -6.171 1.00 10.00 C ATOM 541 O LYS A 34 10.453 -0.910 -6.292 1.00 10.00 O ATOM 542 CB LYS A 34 9.833 2.158 -7.272 1.00 10.00 C ATOM 543 CG LYS A 34 11.350 1.969 -7.097 1.00 10.00 C ATOM 544 CD LYS A 34 12.113 3.295 -7.173 1.00 10.00 C ATOM 545 CE LYS A 34 13.619 3.074 -6.949 1.00 10.00 C ATOM 546 NZ LYS A 34 13.939 2.647 -5.569 1.00 10.00 N ATOM 0 H LYS A 34 7.367 1.949 -7.394 1.00 10.00 H new ATOM 0 HA LYS A 34 9.414 0.308 -8.271 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.635 2.725 -8.181 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.436 2.740 -6.440 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.546 1.494 -6.136 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.721 1.294 -7.868 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.950 3.758 -8.146 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.727 3.985 -6.423 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.979 2.321 -7.650 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.154 3.997 -7.171 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.962 2.481 -5.486 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.653 3.391 -4.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.427 1.769 -5.350 1.00 10.00 H new ATOM 560 N PHE A 35 8.857 0.056 -5.037 1.00 10.00 N ATOM 561 CA PHE A 35 9.246 -0.619 -3.818 1.00 10.00 C ATOM 562 C PHE A 35 9.032 -2.115 -3.964 1.00 10.00 C ATOM 563 O PHE A 35 9.698 -2.898 -3.309 1.00 10.00 O ATOM 564 CB PHE A 35 8.418 -0.105 -2.642 1.00 10.00 C ATOM 565 CG PHE A 35 9.010 -0.494 -1.306 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.297 -0.041 -0.960 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.395 -1.495 -0.535 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.995 -0.635 0.103 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.092 -2.086 0.528 1.00 10.00 C ATOM 570 CZ PHE A 35 10.399 -1.671 0.841 1.00 10.00 C ATOM 0 H PHE A 35 8.029 0.645 -4.946 1.00 10.00 H new ATOM 0 HA PHE A 35 10.301 -0.417 -3.631 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.343 0.981 -2.701 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.404 -0.499 -2.715 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.750 0.767 -1.515 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.387 -1.809 -0.761 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.989 -0.296 0.353 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.622 -2.865 1.110 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.942 -2.146 1.645 1.00 10.00 H new ATOM 580 N LEU A 36 8.086 -2.516 -4.811 1.00 10.00 N ATOM 581 CA LEU A 36 7.775 -3.908 -5.072 1.00 10.00 C ATOM 582 C LEU A 36 9.037 -4.696 -5.440 1.00 10.00 C ATOM 583 O LEU A 36 9.206 -5.834 -5.011 1.00 10.00 O ATOM 584 CB LEU A 36 6.766 -3.959 -6.216 1.00 10.00 C ATOM 585 CG LEU A 36 5.422 -3.262 -5.957 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.575 -3.441 -7.220 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.667 -3.838 -4.760 1.00 10.00 C ATOM 0 H LEU A 36 7.507 -1.865 -5.342 1.00 10.00 H new ATOM 0 HA LEU A 36 7.357 -4.365 -4.175 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.223 -3.509 -7.098 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.571 -5.004 -6.456 1.00 10.00 H new ATOM 0 HG LEU A 36 5.612 -2.214 -5.725 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.607 -2.959 -7.080 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.087 -2.987 -8.069 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.427 -4.504 -7.411 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.727 -3.302 -4.631 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.462 -4.894 -4.933 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.273 -3.729 -3.861 1.00 10.00 H new ATOM 599 N GLU A 37 9.916 -4.067 -6.224 1.00 10.00 N ATOM 600 CA GLU A 37 11.219 -4.597 -6.602 1.00 10.00 C ATOM 601 C GLU A 37 12.079 -4.811 -5.349 1.00 10.00 C ATOM 602 O GLU A 37 12.544 -5.916 -5.079 1.00 10.00 O ATOM 603 CB GLU A 37 11.842 -3.615 -7.609 1.00 10.00 C ATOM 604 CG GLU A 37 13.087 -4.144 -8.334 1.00 10.00 C ATOM 605 CD GLU A 37 14.384 -3.910 -7.564 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.560 -2.769 -7.085 1.00 10.00 O ATOM 607 OE2 GLU A 37 15.188 -4.863 -7.506 1.00 10.00 O ATOM 0 H GLU A 37 9.730 -3.147 -6.623 1.00 10.00 H new ATOM 0 HA GLU A 37 11.139 -5.574 -7.079 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.090 -3.352 -8.352 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.106 -2.697 -7.084 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.967 -5.213 -8.513 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.161 -3.664 -9.310 1.00 10.00 H new ATOM 614 N GLU A 38 12.247 -3.744 -4.566 1.00 10.00 N ATOM 615 CA GLU A 38 13.035 -3.726 -3.338 1.00 10.00 C ATOM 616 C GLU A 38 12.517 -4.740 -2.307 1.00 10.00 C ATOM 617 O GLU A 38 13.290 -5.337 -1.562 1.00 10.00 O ATOM 618 CB GLU A 38 12.986 -2.312 -2.738 1.00 10.00 C ATOM 619 CG GLU A 38 13.518 -1.228 -3.689 1.00 10.00 C ATOM 620 CD GLU A 38 13.235 0.171 -3.162 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.458 0.401 -1.957 1.00 10.00 O ATOM 622 OE2 GLU A 38 12.812 1.011 -3.989 1.00 10.00 O ATOM 0 H GLU A 38 11.824 -2.841 -4.778 1.00 10.00 H new ATOM 0 HA GLU A 38 14.059 -4.005 -3.586 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.957 -2.075 -2.468 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.569 -2.295 -1.817 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.592 -1.356 -3.822 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.058 -1.347 -4.670 1.00 10.00 H new ATOM 629 N HIS A 39 11.191 -4.858 -2.213 1.00 10.00 N ATOM 630 CA HIS A 39 10.454 -5.480 -1.128 1.00 10.00 C ATOM 631 C HIS A 39 10.863 -6.944 -0.936 1.00 10.00 C ATOM 632 O HIS A 39 10.539 -7.765 -1.789 1.00 10.00 O ATOM 633 CB HIS A 39 8.951 -5.377 -1.439 1.00 10.00 C ATOM 634 CG HIS A 39 8.042 -5.886 -0.350 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.842 -6.537 -0.526 1.00 10.00 N ATOM 636 CD2 HIS A 39 8.164 -5.604 0.981 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.255 -6.629 0.681 1.00 10.00 C ATOM 638 NE2 HIS A 39 7.025 -6.072 1.637 1.00 10.00 N ATOM 0 H HIS A 39 10.572 -4.498 -2.940 1.00 10.00 H new ATOM 0 HA HIS A 39 10.683 -4.961 -0.197 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.707 -4.334 -1.638 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.745 -5.933 -2.354 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.467 -6.885 -1.408 1.00 10.00 H new ATOM 0 HD2 HIS A 39 9.000 -5.104 1.447 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.294 -7.088 0.860 1.00 10.00 H new ATOM 646 N PRO A 40 11.482 -7.318 0.197 1.00 10.00 N ATOM 647 CA PRO A 40 11.752 -8.713 0.527 1.00 10.00 C ATOM 648 C PRO A 40 10.496 -9.592 0.473 1.00 10.00 C ATOM 649 O PRO A 40 10.567 -10.745 0.059 1.00 10.00 O ATOM 650 CB PRO A 40 12.376 -8.690 1.924 1.00 10.00 C ATOM 651 CG PRO A 40 13.049 -7.319 1.958 1.00 10.00 C ATOM 652 CD PRO A 40 12.039 -6.446 1.218 1.00 10.00 C ATOM 0 HA PRO A 40 12.423 -9.161 -0.206 1.00 10.00 H new ATOM 0 HB2 PRO A 40 11.624 -8.794 2.707 1.00 10.00 H new ATOM 0 HB3 PRO A 40 13.094 -9.499 2.062 1.00 10.00 H new ATOM 0 HG2 PRO A 40 13.216 -6.973 2.978 1.00 10.00 H new ATOM 0 HG3 PRO A 40 14.019 -7.329 1.462 1.00 10.00 H new ATOM 0 HD2 PRO A 40 11.265 -6.078 1.891 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.518 -5.573 0.776 1.00 10.00 H new ATOM 660 N GLY A 41 9.341 -9.046 0.871 1.00 10.00 N ATOM 661 CA GLY A 41 8.055 -9.719 0.725 1.00 10.00 C ATOM 662 C GLY A 41 7.740 -10.074 -0.734 1.00 10.00 C ATOM 663 O GLY A 41 7.021 -11.035 -0.989 1.00 10.00 O ATOM 0 H GLY A 41 9.277 -8.124 1.303 1.00 10.00 H new ATOM 0 HA2 GLY A 41 8.055 -10.629 1.325 1.00 10.00 H new ATOM 0 HA3 GLY A 41 7.266 -9.078 1.118 1.00 10.00 H new ATOM 667 N GLY A 42 8.254 -9.295 -1.690 1.00 10.00 N ATOM 668 CA GLY A 42 8.000 -9.472 -3.110 1.00 10.00 C ATOM 669 C GLY A 42 6.762 -8.701 -3.554 1.00 10.00 C ATOM 670 O GLY A 42 6.061 -8.088 -2.743 1.00 10.00 O ATOM 0 H GLY A 42 8.871 -8.509 -1.487 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.865 -9.134 -3.681 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.868 -10.532 -3.328 1.00 10.00 H new ATOM 674 N GLU A 43 6.522 -8.713 -4.867 1.00 10.00 N ATOM 675 CA GLU A 43 5.443 -7.974 -5.494 1.00 10.00 C ATOM 676 C GLU A 43 4.106 -8.694 -5.309 1.00 10.00 C ATOM 677 O GLU A 43 3.148 -8.109 -4.809 1.00 10.00 O ATOM 678 CB GLU A 43 5.786 -7.712 -6.971 1.00 10.00 C ATOM 679 CG GLU A 43 4.541 -7.273 -7.750 1.00 10.00 C ATOM 680 CD GLU A 43 4.821 -6.628 -9.101 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.848 -5.933 -9.222 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.943 -6.796 -9.980 1.00 10.00 O ATOM 0 H GLU A 43 7.085 -9.247 -5.528 1.00 10.00 H new ATOM 0 HA GLU A 43 5.332 -7.005 -5.008 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.554 -6.941 -7.039 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.201 -8.615 -7.418 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.902 -8.143 -7.905 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.977 -6.569 -7.138 1.00 10.00 H new ATOM 689 N GLU A 44 4.000 -9.947 -5.752 1.00 10.00 N ATOM 690 CA GLU A 44 2.701 -10.580 -5.931 1.00 10.00 C ATOM 691 C GLU A 44 1.869 -10.581 -4.644 1.00 10.00 C ATOM 692 O GLU A 44 0.732 -10.120 -4.650 1.00 10.00 O ATOM 693 CB GLU A 44 2.881 -11.970 -6.537 1.00 10.00 C ATOM 694 CG GLU A 44 3.708 -11.867 -7.831 1.00 10.00 C ATOM 695 CD GLU A 44 3.220 -12.852 -8.886 1.00 10.00 C ATOM 696 OE1 GLU A 44 3.585 -14.040 -8.762 1.00 10.00 O ATOM 697 OE2 GLU A 44 2.478 -12.392 -9.780 1.00 10.00 O ATOM 0 H GLU A 44 4.796 -10.538 -5.991 1.00 10.00 H new ATOM 0 HA GLU A 44 2.119 -9.987 -6.636 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.382 -12.626 -5.825 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.908 -12.414 -6.750 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.646 -10.852 -8.223 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.758 -12.060 -7.609 1.00 10.00 H new ATOM 704 N VAL A 45 2.456 -11.022 -3.528 1.00 10.00 N ATOM 705 CA VAL A 45 1.806 -10.998 -2.214 1.00 10.00 C ATOM 706 C VAL A 45 1.381 -9.581 -1.789 1.00 10.00 C ATOM 707 O VAL A 45 0.453 -9.408 -1.003 1.00 10.00 O ATOM 708 CB VAL A 45 2.725 -11.665 -1.174 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.981 -10.833 -0.887 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.993 -11.941 0.146 1.00 10.00 C ATOM 0 H VAL A 45 3.400 -11.408 -3.510 1.00 10.00 H new ATOM 0 HA VAL A 45 0.880 -11.569 -2.281 1.00 10.00 H new ATOM 0 HB VAL A 45 3.029 -12.613 -1.617 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.596 -11.346 -0.148 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.551 -10.705 -1.807 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.690 -9.856 -0.502 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.678 -12.412 0.851 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.631 -11.002 0.564 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.149 -12.606 -0.038 1.00 10.00 H new ATOM 720 N LEU A 46 2.055 -8.546 -2.296 1.00 10.00 N ATOM 721 CA LEU A 46 1.664 -7.167 -2.057 1.00 10.00 C ATOM 722 C LEU A 46 0.440 -6.865 -2.931 1.00 10.00 C ATOM 723 O LEU A 46 -0.590 -6.384 -2.458 1.00 10.00 O ATOM 724 CB LEU A 46 2.884 -6.267 -2.341 1.00 10.00 C ATOM 725 CG LEU A 46 2.818 -4.812 -1.862 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.782 -4.005 -2.651 1.00 10.00 C ATOM 727 CD2 LEU A 46 2.595 -4.725 -0.350 1.00 10.00 C ATOM 0 H LEU A 46 2.884 -8.647 -2.881 1.00 10.00 H new ATOM 0 HA LEU A 46 1.369 -6.977 -1.025 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.758 -6.732 -1.885 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.053 -6.259 -3.418 1.00 10.00 H new ATOM 0 HG LEU A 46 3.788 -4.357 -2.062 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.763 -2.979 -2.284 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.047 -4.007 -3.708 1.00 10.00 H new ATOM 0 HD13 LEU A 46 0.797 -4.454 -2.523 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.554 -3.679 -0.048 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.656 -5.214 -0.092 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.416 -5.220 0.168 1.00 10.00 H new ATOM 739 N ARG A 47 0.533 -7.180 -4.224 1.00 10.00 N ATOM 740 CA ARG A 47 -0.501 -6.867 -5.203 1.00 10.00 C ATOM 741 C ARG A 47 -1.805 -7.616 -4.946 1.00 10.00 C ATOM 742 O ARG A 47 -2.879 -7.109 -5.247 1.00 10.00 O ATOM 743 CB ARG A 47 0.007 -7.118 -6.617 1.00 10.00 C ATOM 744 CG ARG A 47 0.806 -5.899 -7.092 1.00 10.00 C ATOM 745 CD ARG A 47 1.391 -6.174 -8.473 1.00 10.00 C ATOM 746 NE ARG A 47 0.350 -6.521 -9.450 1.00 10.00 N ATOM 747 CZ ARG A 47 0.483 -7.512 -10.351 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.678 -8.067 -10.593 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.599 -7.967 -10.992 1.00 10.00 N ATOM 0 H ARG A 47 1.338 -7.664 -4.622 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.730 -5.807 -5.095 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.635 -8.009 -6.638 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.831 -7.303 -7.289 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.161 -5.021 -7.128 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.606 -5.678 -6.385 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.935 -5.295 -8.819 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.112 -6.989 -8.406 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.517 -5.984 -9.445 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.503 -7.739 -10.091 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.762 -8.817 -11.279 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.515 -7.563 -10.796 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.508 -8.718 -11.677 1.00 10.00 H new ATOM 763 N GLU A 48 -1.700 -8.806 -4.370 1.00 10.00 N ATOM 764 CA GLU A 48 -2.785 -9.573 -3.782 1.00 10.00 C ATOM 765 C GLU A 48 -3.683 -8.713 -2.875 1.00 10.00 C ATOM 766 O GLU A 48 -4.859 -9.021 -2.686 1.00 10.00 O ATOM 767 CB GLU A 48 -2.110 -10.705 -3.004 1.00 10.00 C ATOM 768 CG GLU A 48 -3.077 -11.638 -2.264 1.00 10.00 C ATOM 769 CD GLU A 48 -2.381 -12.887 -1.734 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.174 -12.787 -1.432 1.00 10.00 O ATOM 771 OE2 GLU A 48 -3.075 -13.922 -1.641 1.00 10.00 O ATOM 0 H GLU A 48 -0.804 -9.287 -4.298 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.455 -9.958 -4.551 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.513 -11.298 -3.697 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.421 -10.270 -2.280 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.535 -11.100 -1.434 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.883 -11.931 -2.937 1.00 10.00 H new ATOM 778 N GLN A 49 -3.130 -7.661 -2.262 1.00 10.00 N ATOM 779 CA GLN A 49 -3.841 -6.757 -1.363 1.00 10.00 C ATOM 780 C GLN A 49 -3.973 -5.350 -1.952 1.00 10.00 C ATOM 781 O GLN A 49 -4.916 -4.627 -1.635 1.00 10.00 O ATOM 782 CB GLN A 49 -3.085 -6.731 -0.034 1.00 10.00 C ATOM 783 CG GLN A 49 -2.963 -8.135 0.586 1.00 10.00 C ATOM 784 CD GLN A 49 -4.275 -8.740 1.078 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.491 -8.822 2.286 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.138 -9.218 0.185 1.00 10.00 N ATOM 0 H GLN A 49 -2.148 -7.411 -2.383 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.859 -7.117 -1.214 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.089 -6.316 -0.191 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.600 -6.070 0.663 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.526 -8.806 -0.154 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.266 -8.087 1.423 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.937 -9.138 -0.812 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.001 -9.664 0.497 1.00 10.00 H new ATOM 795 N ALA A 50 -3.015 -4.951 -2.791 1.00 10.00 N ATOM 796 CA ALA A 50 -3.031 -3.647 -3.447 1.00 10.00 C ATOM 797 C ALA A 50 -4.333 -3.394 -4.208 1.00 10.00 C ATOM 798 O ALA A 50 -4.981 -4.315 -4.704 1.00 10.00 O ATOM 799 CB ALA A 50 -1.845 -3.480 -4.389 1.00 10.00 C ATOM 0 H ALA A 50 -2.207 -5.525 -3.033 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.957 -2.907 -2.650 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.890 -2.498 -4.860 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.917 -3.570 -3.825 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.879 -4.252 -5.157 1.00 10.00 H new ATOM 805 N GLY A 51 -4.709 -2.119 -4.305 1.00 10.00 N ATOM 806 CA GLY A 51 -6.046 -1.693 -4.654 1.00 10.00 C ATOM 807 C GLY A 51 -7.051 -2.433 -3.802 1.00 10.00 C ATOM 808 O GLY A 51 -8.031 -2.994 -4.279 1.00 10.00 O ATOM 0 H GLY A 51 -4.070 -1.342 -4.137 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.147 -0.618 -4.503 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.236 -1.886 -5.710 1.00 10.00 H new ATOM 812 N GLY A 52 -6.787 -2.356 -2.502 1.00 10.00 N ATOM 813 CA GLY A 52 -7.668 -2.770 -1.459 1.00 10.00 C ATOM 814 C GLY A 52 -6.943 -2.450 -0.165 1.00 10.00 C ATOM 815 O GLY A 52 -5.887 -1.803 -0.148 1.00 10.00 O ATOM 0 H GLY A 52 -5.906 -1.983 -2.149 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.620 -2.242 -1.517 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.889 -3.835 -1.532 1.00 10.00 H new ATOM 819 N ASP A 53 -7.548 -2.894 0.923 1.00 10.00 N ATOM 820 CA ASP A 53 -6.957 -2.779 2.242 1.00 10.00 C ATOM 821 C ASP A 53 -5.712 -3.644 2.349 1.00 10.00 C ATOM 822 O ASP A 53 -5.691 -4.778 1.872 1.00 10.00 O ATOM 823 CB ASP A 53 -7.931 -3.126 3.376 1.00 10.00 C ATOM 824 CG ASP A 53 -7.204 -2.980 4.711 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.633 -1.887 4.917 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.097 -3.967 5.466 1.00 10.00 O ATOM 0 H ASP A 53 -8.463 -3.344 0.915 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.689 -1.729 2.362 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.798 -2.466 3.344 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.301 -4.144 3.257 1.00 10.00 H new ATOM 831 N ALA A 54 -4.693 -3.112 3.020 1.00 10.00 N ATOM 832 CA ALA A 54 -3.621 -3.927 3.564 1.00 10.00 C ATOM 833 C ALA A 54 -3.292 -3.532 5.008 1.00 10.00 C ATOM 834 O ALA A 54 -2.244 -3.934 5.514 1.00 10.00 O ATOM 835 CB ALA A 54 -2.404 -3.839 2.643 1.00 10.00 C ATOM 0 H ALA A 54 -4.591 -2.113 3.198 1.00 10.00 H new ATOM 0 HA ALA A 54 -3.945 -4.967 3.605 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.597 -4.449 3.048 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.672 -4.202 1.651 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.075 -2.802 2.573 1.00 10.00 H new ATOM 841 N THR A 55 -4.158 -2.768 5.687 1.00 10.00 N ATOM 842 CA THR A 55 -3.902 -2.299 7.035 1.00 10.00 C ATOM 843 C THR A 55 -3.749 -3.482 7.980 1.00 10.00 C ATOM 844 O THR A 55 -2.727 -3.597 8.653 1.00 10.00 O ATOM 845 CB THR A 55 -5.024 -1.376 7.543 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.351 -0.367 6.613 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.538 -0.690 8.819 1.00 10.00 C ATOM 0 H THR A 55 -5.054 -2.463 5.307 1.00 10.00 H new ATOM 0 HA THR A 55 -2.977 -1.723 7.010 1.00 10.00 H new ATOM 0 HB THR A 55 -5.909 -1.989 7.711 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.139 -0.639 6.099 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.319 -0.030 9.197 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.304 -1.444 9.571 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.644 -0.106 8.600 1.00 10.00 H new ATOM 855 N GLU A 56 -4.774 -4.338 8.044 1.00 10.00 N ATOM 856 CA GLU A 56 -4.809 -5.465 8.946 1.00 10.00 C ATOM 857 C GLU A 56 -3.619 -6.347 8.603 1.00 10.00 C ATOM 858 O GLU A 56 -2.761 -6.557 9.444 1.00 10.00 O ATOM 859 CB GLU A 56 -6.162 -6.176 8.798 1.00 10.00 C ATOM 860 CG GLU A 56 -6.350 -7.306 9.814 1.00 10.00 C ATOM 861 CD GLU A 56 -7.742 -7.910 9.687 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.916 -8.739 8.767 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.612 -7.508 10.488 1.00 10.00 O ATOM 0 H GLU A 56 -5.606 -4.256 7.459 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.727 -5.174 9.993 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.965 -5.449 8.917 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.246 -6.582 7.790 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.596 -8.077 9.653 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.204 -6.923 10.824 1.00 10.00 H new ATOM 870 N ASN A 57 -3.520 -6.783 7.347 1.00 10.00 N ATOM 871 CA ASN A 57 -2.443 -7.649 6.882 1.00 10.00 C ATOM 872 C ASN A 57 -1.065 -7.114 7.305 1.00 10.00 C ATOM 873 O ASN A 57 -0.277 -7.828 7.922 1.00 10.00 O ATOM 874 CB ASN A 57 -2.570 -7.824 5.362 1.00 10.00 C ATOM 875 CG ASN A 57 -1.756 -9.003 4.836 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.677 -9.306 5.332 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.261 -9.676 3.806 1.00 10.00 N ATOM 0 H ASN A 57 -4.193 -6.541 6.619 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.532 -8.629 7.351 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.619 -7.967 5.103 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.241 -6.911 4.866 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.748 -10.464 3.411 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.161 -9.404 3.411 1.00 10.00 H new ATOM 884 N PHE A 58 -0.779 -5.841 7.009 1.00 10.00 N ATOM 885 CA PHE A 58 0.494 -5.224 7.362 1.00 10.00 C ATOM 886 C PHE A 58 0.741 -5.236 8.874 1.00 10.00 C ATOM 887 O PHE A 58 1.784 -5.705 9.323 1.00 10.00 O ATOM 888 CB PHE A 58 0.556 -3.788 6.822 1.00 10.00 C ATOM 889 CG PHE A 58 1.868 -3.093 7.136 1.00 10.00 C ATOM 890 CD1 PHE A 58 3.029 -3.445 6.422 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.973 -2.271 8.273 1.00 10.00 C ATOM 892 CE1 PHE A 58 4.284 -2.953 6.824 1.00 10.00 C ATOM 893 CE2 PHE A 58 3.231 -1.815 8.699 1.00 10.00 C ATOM 894 CZ PHE A 58 4.386 -2.144 7.969 1.00 10.00 C ATOM 0 H PHE A 58 -1.422 -5.217 6.521 1.00 10.00 H new ATOM 0 HA PHE A 58 1.283 -5.817 6.900 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.410 -3.805 5.742 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.265 -3.210 7.246 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.956 -4.095 5.563 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.085 -1.990 8.819 1.00 10.00 H new ATOM 0 HE1 PHE A 58 5.168 -3.197 6.254 1.00 10.00 H new ATOM 0 HE2 PHE A 58 3.311 -1.210 9.590 1.00 10.00 H new ATOM 0 HZ PHE A 58 5.350 -1.776 8.287 1.00 10.00 H new ATOM 904 N GLU A 59 -0.193 -4.671 9.646 1.00 10.00 N ATOM 905 CA GLU A 59 -0.035 -4.449 11.081 1.00 10.00 C ATOM 906 C GLU A 59 0.111 -5.790 11.800 1.00 10.00 C ATOM 907 O GLU A 59 1.009 -5.992 12.615 1.00 10.00 O ATOM 908 CB GLU A 59 -1.254 -3.674 11.605 1.00 10.00 C ATOM 909 CG GLU A 59 -0.986 -2.978 12.948 1.00 10.00 C ATOM 910 CD GLU A 59 -0.355 -1.601 12.795 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.811 -1.499 12.359 1.00 10.00 O ATOM 912 OE2 GLU A 59 -1.036 -0.605 13.126 1.00 10.00 O ATOM 0 H GLU A 59 -1.091 -4.352 9.283 1.00 10.00 H new ATOM 0 HA GLU A 59 0.864 -3.863 11.272 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.549 -2.928 10.867 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.094 -4.360 11.718 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.925 -2.882 13.494 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.330 -3.606 13.551 1.00 10.00 H new ATOM 919 N ASP A 60 -0.805 -6.697 11.471 1.00 10.00 N ATOM 920 CA ASP A 60 -0.832 -8.087 11.894 1.00 10.00 C ATOM 921 C ASP A 60 0.545 -8.713 11.669 1.00 10.00 C ATOM 922 O ASP A 60 1.224 -9.117 12.612 1.00 10.00 O ATOM 923 CB ASP A 60 -1.922 -8.833 11.109 1.00 10.00 C ATOM 924 CG ASP A 60 -2.055 -10.255 11.632 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.759 -10.424 12.650 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.427 -11.144 11.017 1.00 10.00 O ATOM 0 H ASP A 60 -1.593 -6.464 10.866 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.067 -8.156 12.956 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.874 -8.310 11.205 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.672 -8.848 10.048 1.00 10.00 H new ATOM 931 N HIS A 61 1.024 -8.677 10.424 1.00 10.00 N ATOM 932 CA HIS A 61 2.360 -9.121 10.050 1.00 10.00 C ATOM 933 C HIS A 61 3.400 -8.036 10.367 1.00 10.00 C ATOM 934 O HIS A 61 4.305 -7.816 9.564 1.00 10.00 O ATOM 935 CB HIS A 61 2.342 -9.514 8.562 1.00 10.00 C ATOM 936 CG HIS A 61 3.420 -10.508 8.214 1.00 10.00 C ATOM 937 ND1 HIS A 61 4.710 -10.480 8.693 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.222 -11.729 7.628 1.00 10.00 C ATOM 939 CE1 HIS A 61 5.269 -11.669 8.414 1.00 10.00 C ATOM 940 NE2 HIS A 61 4.407 -12.458 7.752 1.00 10.00 N ATOM 0 H HIS A 61 0.479 -8.330 9.634 1.00 10.00 H new ATOM 0 HA HIS A 61 2.651 -9.995 10.632 1.00 10.00 H new ATOM 0 HB2 HIS A 61 1.369 -9.937 8.313 1.00 10.00 H new ATOM 0 HB3 HIS A 61 2.467 -8.619 7.952 1.00 10.00 H new ATOM 0 HD1 HIS A 61 5.159 -9.699 9.172 1.00 10.00 H new ATOM 0 HD2 HIS A 61 2.312 -12.068 7.155 1.00 10.00 H new ATOM 0 HE1 HIS A 61 6.275 -11.952 8.685 1.00 10.00 H new ATOM 948 N GLY A 62 3.281 -7.373 11.524 1.00 10.00 N ATOM 949 CA GLY A 62 3.938 -6.119 11.893 1.00 10.00 C ATOM 950 C GLY A 62 5.462 -6.122 11.777 1.00 10.00 C ATOM 951 O GLY A 62 6.177 -6.195 12.777 1.00 10.00 O ATOM 0 H GLY A 62 2.684 -7.723 12.273 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.544 -5.322 11.263 1.00 10.00 H new ATOM 0 HA3 GLY A 62 3.669 -5.875 12.921 1.00 10.00 H new ATOM 955 N HIS A 63 5.969 -5.987 10.553 1.00 10.00 N ATOM 956 CA HIS A 63 7.385 -6.066 10.238 1.00 10.00 C ATOM 957 C HIS A 63 8.118 -4.762 10.560 1.00 10.00 C ATOM 958 O HIS A 63 8.629 -4.066 9.684 1.00 10.00 O ATOM 959 CB HIS A 63 7.599 -6.587 8.814 1.00 10.00 C ATOM 960 CG HIS A 63 6.718 -6.020 7.724 1.00 10.00 C ATOM 961 ND1 HIS A 63 5.439 -6.457 7.460 1.00 10.00 N ATOM 962 CD2 HIS A 63 7.231 -5.585 6.535 1.00 10.00 C ATOM 963 CE1 HIS A 63 5.219 -6.347 6.144 1.00 10.00 C ATOM 964 NE2 HIS A 63 6.299 -5.846 5.522 1.00 10.00 N ATOM 0 H HIS A 63 5.386 -5.815 9.734 1.00 10.00 H new ATOM 0 HA HIS A 63 7.849 -6.804 10.893 1.00 10.00 H new ATOM 0 HB2 HIS A 63 8.637 -6.399 8.539 1.00 10.00 H new ATOM 0 HB3 HIS A 63 7.464 -7.668 8.828 1.00 10.00 H new ATOM 0 HD1 HIS A 63 4.773 -6.805 8.150 1.00 10.00 H new ATOM 0 HD2 HIS A 63 8.195 -5.118 6.399 1.00 10.00 H new ATOM 0 HE1 HIS A 63 4.299 -6.623 5.650 1.00 10.00 H new ATOM 972 N SER A 64 8.219 -4.498 11.864 1.00 10.00 N ATOM 973 CA SER A 64 9.065 -3.497 12.486 1.00 10.00 C ATOM 974 C SER A 64 8.600 -2.060 12.244 1.00 10.00 C ATOM 975 O SER A 64 7.703 -1.764 11.453 1.00 10.00 O ATOM 976 CB SER A 64 10.536 -3.687 12.085 1.00 10.00 C ATOM 977 OG SER A 64 11.370 -2.970 12.980 1.00 10.00 O ATOM 0 H SER A 64 7.673 -5.016 12.552 1.00 10.00 H new ATOM 0 HA SER A 64 8.976 -3.656 13.561 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.794 -4.746 12.101 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.694 -3.336 11.065 1.00 10.00 H new ATOM 0 HG SER A 64 11.812 -2.238 12.500 1.00 10.00 H new ATOM 983 N THR A 65 9.268 -1.158 12.957 1.00 10.00 N ATOM 984 CA THR A 65 9.164 0.281 12.850 1.00 10.00 C ATOM 985 C THR A 65 9.471 0.746 11.436 1.00 10.00 C ATOM 986 O THR A 65 8.842 1.659 10.924 1.00 10.00 O ATOM 987 CB THR A 65 10.203 0.868 13.821 1.00 10.00 C ATOM 988 OG1 THR A 65 11.312 -0.014 13.968 1.00 10.00 O ATOM 989 CG2 THR A 65 9.578 1.038 15.207 1.00 10.00 C ATOM 0 H THR A 65 9.940 -1.439 13.671 1.00 10.00 H new ATOM 0 HA THR A 65 8.152 0.608 13.090 1.00 10.00 H new ATOM 0 HB THR A 65 10.531 1.825 13.415 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.656 -0.257 13.083 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.318 1.454 15.891 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.725 1.713 15.141 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.246 0.068 15.578 1.00 10.00 H new ATOM 997 N ASP A 66 10.483 0.142 10.834 1.00 10.00 N ATOM 998 CA ASP A 66 11.238 0.665 9.715 1.00 10.00 C ATOM 999 C ASP A 66 10.342 0.761 8.482 1.00 10.00 C ATOM 1000 O ASP A 66 10.252 1.798 7.823 1.00 10.00 O ATOM 1001 CB ASP A 66 12.443 -0.269 9.506 1.00 10.00 C ATOM 1002 CG ASP A 66 13.243 -0.501 10.793 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.611 -0.965 11.779 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.453 -0.207 10.775 1.00 10.00 O ATOM 0 H ASP A 66 10.815 -0.775 11.132 1.00 10.00 H new ATOM 0 HA ASP A 66 11.601 1.675 9.905 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.092 -1.228 9.124 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.099 0.156 8.747 1.00 10.00 H new ATOM 1009 N ALA A 67 9.624 -0.329 8.209 1.00 10.00 N ATOM 1010 CA ALA A 67 8.678 -0.425 7.117 1.00 10.00 C ATOM 1011 C ALA A 67 7.529 0.541 7.376 1.00 10.00 C ATOM 1012 O ALA A 67 7.036 1.201 6.467 1.00 10.00 O ATOM 1013 CB ALA A 67 8.176 -1.867 7.004 1.00 10.00 C ATOM 0 H ALA A 67 9.692 -1.185 8.759 1.00 10.00 H new ATOM 0 HA ALA A 67 9.154 -0.157 6.174 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.464 -1.941 6.182 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.019 -2.532 6.815 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.688 -2.156 7.935 1.00 10.00 H new ATOM 1019 N ARG A 68 7.120 0.629 8.641 1.00 10.00 N ATOM 1020 CA ARG A 68 6.075 1.524 9.101 1.00 10.00 C ATOM 1021 C ARG A 68 6.484 2.984 8.845 1.00 10.00 C ATOM 1022 O ARG A 68 5.695 3.781 8.338 1.00 10.00 O ATOM 1023 CB ARG A 68 5.793 1.198 10.579 1.00 10.00 C ATOM 1024 CG ARG A 68 4.309 1.342 10.940 1.00 10.00 C ATOM 1025 CD ARG A 68 3.969 0.510 12.188 1.00 10.00 C ATOM 1026 NE ARG A 68 2.529 0.544 12.506 1.00 10.00 N ATOM 1027 CZ ARG A 68 1.878 1.567 13.078 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.546 2.686 13.379 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.576 1.482 13.353 1.00 10.00 N ATOM 0 H ARG A 68 7.521 0.062 9.389 1.00 10.00 H new ATOM 0 HA ARG A 68 5.145 1.384 8.549 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.118 0.179 10.791 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.384 1.860 11.213 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.074 2.391 11.121 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.693 1.017 10.102 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.280 -0.523 12.030 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.536 0.887 13.039 1.00 10.00 H new ATOM 0 HE ARG A 68 1.981 -0.283 12.270 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.543 2.756 13.173 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.059 3.469 13.814 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.062 0.630 13.128 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.094 2.269 13.788 1.00 10.00 H new ATOM 1043 N GLU A 69 7.739 3.338 9.128 1.00 10.00 N ATOM 1044 CA GLU A 69 8.252 4.661 8.831 1.00 10.00 C ATOM 1045 C GLU A 69 8.194 4.894 7.323 1.00 10.00 C ATOM 1046 O GLU A 69 7.685 5.905 6.826 1.00 10.00 O ATOM 1047 CB GLU A 69 9.695 4.838 9.332 1.00 10.00 C ATOM 1048 CG GLU A 69 9.854 6.354 9.426 1.00 10.00 C ATOM 1049 CD GLU A 69 11.237 6.933 9.207 1.00 10.00 C ATOM 1050 OE1 GLU A 69 12.226 6.279 9.590 1.00 10.00 O ATOM 1051 OE2 GLU A 69 11.229 8.050 8.636 1.00 10.00 O ATOM 0 H GLU A 69 8.418 2.715 9.566 1.00 10.00 H new ATOM 0 HA GLU A 69 7.632 5.393 9.349 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.846 4.357 10.299 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.416 4.400 8.642 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.182 6.807 8.698 1.00 10.00 H new ATOM 0 HG3 GLU A 69 9.512 6.666 10.413 1.00 10.00 H new ATOM 1058 N LEU A 70 8.726 3.929 6.586 1.00 10.00 N ATOM 1059 CA LEU A 70 8.653 3.974 5.139 1.00 10.00 C ATOM 1060 C LEU A 70 7.208 4.200 4.672 1.00 10.00 C ATOM 1061 O LEU A 70 6.954 4.964 3.744 1.00 10.00 O ATOM 1062 CB LEU A 70 9.259 2.709 4.506 1.00 10.00 C ATOM 1063 CG LEU A 70 10.467 3.000 3.604 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.249 4.241 2.728 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.736 3.151 4.446 1.00 10.00 C ATOM 0 H LEU A 70 9.208 3.114 6.965 1.00 10.00 H new ATOM 0 HA LEU A 70 9.249 4.821 4.800 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.562 2.024 5.298 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.492 2.201 3.922 1.00 10.00 H new ATOM 0 HG LEU A 70 10.585 2.150 2.932 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.129 4.407 2.107 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.379 4.088 2.090 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.084 5.111 3.364 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.584 3.357 3.793 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.611 3.975 5.148 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.919 2.229 4.997 1.00 10.00 H new ATOM 1077 N SER A 71 6.241 3.581 5.348 1.00 10.00 N ATOM 1078 CA SER A 71 4.859 3.617 4.920 1.00 10.00 C ATOM 1079 C SER A 71 4.326 5.037 5.038 1.00 10.00 C ATOM 1080 O SER A 71 3.714 5.541 4.097 1.00 10.00 O ATOM 1081 CB SER A 71 4.041 2.527 5.641 1.00 10.00 C ATOM 1082 OG SER A 71 3.552 2.924 6.906 1.00 10.00 O ATOM 0 H SER A 71 6.400 3.046 6.202 1.00 10.00 H new ATOM 0 HA SER A 71 4.766 3.364 3.864 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.200 2.240 5.010 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.663 1.641 5.764 1.00 10.00 H new ATOM 0 HG SER A 71 4.282 3.315 7.431 1.00 10.00 H new ATOM 1088 N LYS A 72 4.608 5.726 6.147 1.00 10.00 N ATOM 1089 CA LYS A 72 4.126 7.099 6.263 1.00 10.00 C ATOM 1090 C LYS A 72 4.760 7.972 5.177 1.00 10.00 C ATOM 1091 O LYS A 72 4.130 8.894 4.671 1.00 10.00 O ATOM 1092 CB LYS A 72 4.213 7.660 7.694 1.00 10.00 C ATOM 1093 CG LYS A 72 5.601 7.730 8.341 1.00 10.00 C ATOM 1094 CD LYS A 72 6.441 8.937 7.865 1.00 10.00 C ATOM 1095 CE LYS A 72 7.804 9.030 8.573 1.00 10.00 C ATOM 1096 NZ LYS A 72 8.951 9.003 7.628 1.00 10.00 N ATOM 0 H LYS A 72 5.142 5.375 6.942 1.00 10.00 H new ATOM 0 HA LYS A 72 3.052 7.107 6.074 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.793 8.666 7.688 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.573 7.052 8.334 1.00 10.00 H new ATOM 0 HG2 LYS A 72 5.487 7.781 9.424 1.00 10.00 H new ATOM 0 HG3 LYS A 72 6.143 6.810 8.121 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.600 8.862 6.789 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.881 9.856 8.041 1.00 10.00 H new ATOM 0 HE2 LYS A 72 7.842 9.950 9.156 1.00 10.00 H new ATOM 0 HE3 LYS A 72 7.900 8.202 9.276 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 9.747 8.495 8.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.668 8.519 6.752 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 9.241 9.977 7.407 1.00 10.00 H new ATOM 1110 N THR A 73 5.992 7.643 4.779 1.00 10.00 N ATOM 1111 CA THR A 73 6.667 8.296 3.668 1.00 10.00 C ATOM 1112 C THR A 73 6.021 7.935 2.316 1.00 10.00 C ATOM 1113 O THR A 73 6.125 8.715 1.373 1.00 10.00 O ATOM 1114 CB THR A 73 8.173 8.000 3.785 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.659 8.651 4.952 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.986 8.476 2.578 1.00 10.00 C ATOM 0 H THR A 73 6.547 6.912 5.224 1.00 10.00 H new ATOM 0 HA THR A 73 6.549 9.379 3.714 1.00 10.00 H new ATOM 0 HB THR A 73 8.292 6.918 3.834 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.618 8.475 5.049 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.038 8.234 2.730 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.626 7.979 1.678 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.874 9.554 2.466 1.00 10.00 H new ATOM 1124 N PHE A 74 5.327 6.794 2.212 1.00 10.00 N ATOM 1125 CA PHE A 74 4.609 6.385 1.005 1.00 10.00 C ATOM 1126 C PHE A 74 3.184 6.937 0.914 1.00 10.00 C ATOM 1127 O PHE A 74 2.545 6.759 -0.124 1.00 10.00 O ATOM 1128 CB PHE A 74 4.507 4.862 0.933 1.00 10.00 C ATOM 1129 CG PHE A 74 5.791 4.066 0.951 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.977 4.550 0.366 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.713 2.723 1.346 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.095 3.706 0.247 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.800 1.864 1.152 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.021 2.379 0.704 1.00 10.00 C ATOM 0 H PHE A 74 5.250 6.123 2.976 1.00 10.00 H new ATOM 0 HA PHE A 74 5.191 6.795 0.179 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.895 4.528 1.771 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.967 4.606 0.021 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.028 5.568 0.009 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.808 2.349 1.803 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.008 4.076 -0.194 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.697 0.807 1.347 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.905 1.758 0.709 1.00 10.00 H new ATOM 1144 N ILE A 75 2.645 7.529 1.985 1.00 10.00 N ATOM 1145 CA ILE A 75 1.334 8.187 1.907 1.00 10.00 C ATOM 1146 C ILE A 75 1.264 9.119 0.692 1.00 10.00 C ATOM 1147 O ILE A 75 2.099 10.007 0.543 1.00 10.00 O ATOM 1148 CB ILE A 75 0.988 8.956 3.199 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.579 7.938 4.266 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.176 9.945 3.001 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.645 8.507 5.686 1.00 10.00 C ATOM 0 H ILE A 75 3.087 7.567 2.903 1.00 10.00 H new ATOM 0 HA ILE A 75 0.590 7.400 1.790 1.00 10.00 H new ATOM 0 HB ILE A 75 1.866 9.530 3.495 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.436 7.595 4.064 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.230 7.066 4.198 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.379 10.460 3.940 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.093 10.675 2.237 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.066 9.401 2.685 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.344 7.740 6.400 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.665 8.825 5.903 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.027 9.362 5.767 1.00 10.00 H new ATOM 1163 N ILE A 76 0.238 8.933 -0.143 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.037 9.777 -1.305 1.00 10.00 C ATOM 1165 C ILE A 76 -1.335 10.571 -1.143 1.00 10.00 C ATOM 1166 O ILE A 76 -1.536 11.563 -1.841 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.108 8.919 -2.581 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.958 7.659 -2.349 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.304 8.548 -3.054 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.557 7.104 -3.637 1.00 10.00 C ATOM 0 H ILE A 76 -0.436 8.177 -0.026 1.00 10.00 H new ATOM 0 HA ILE A 76 0.782 10.491 -1.388 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.589 9.506 -3.363 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.342 6.892 -1.880 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.762 7.892 -1.651 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.238 7.941 -3.957 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.867 9.457 -3.268 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.812 7.982 -2.273 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.146 6.215 -3.411 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.198 7.858 -4.095 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.755 6.842 -4.328 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.249 10.121 -0.282 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.625 10.602 -0.285 1.00 10.00 C ATOM 1184 C GLY A 77 -4.428 9.708 0.642 1.00 10.00 C ATOM 1185 O GLY A 77 -3.804 9.031 1.465 1.00 10.00 O ATOM 0 H GLY A 77 -2.055 9.418 0.431 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.669 11.638 0.050 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.037 10.576 -1.294 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.768 9.675 0.545 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.544 9.070 1.601 1.00 10.00 C ATOM 1191 C GLU A 78 -7.722 8.258 1.065 1.00 10.00 C ATOM 1192 O GLU A 78 -8.133 8.434 -0.072 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.025 10.213 2.500 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.942 11.187 3.010 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.550 12.317 2.060 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.070 12.356 0.923 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.732 13.155 2.485 1.00 10.00 O ATOM 0 H GLU A 78 -6.308 10.052 -0.234 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.931 8.360 2.156 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.771 10.788 1.952 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.529 9.779 3.364 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.291 11.629 3.943 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.047 10.611 3.245 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.268 7.375 1.905 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.412 6.511 1.605 1.00 10.00 C ATOM 1206 C LEU A 79 -10.704 7.317 1.639 1.00 10.00 C ATOM 1207 O LEU A 79 -11.208 7.602 2.732 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.479 5.424 2.688 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.774 4.590 2.648 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.602 3.341 1.791 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.240 4.217 4.056 1.00 10.00 C ATOM 0 H LEU A 79 -7.911 7.237 2.850 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.294 6.074 0.614 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.624 4.757 2.575 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.390 5.893 3.668 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.545 5.210 2.191 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.533 2.774 1.783 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.345 3.631 0.772 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.805 2.723 2.204 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.156 3.629 3.992 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.466 3.631 4.552 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.431 5.125 4.629 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.261 7.667 0.478 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.435 8.520 0.449 1.00 10.00 C ATOM 1225 C HIS A 80 -13.605 7.975 1.274 1.00 10.00 C ATOM 1226 O HIS A 80 -14.116 6.909 0.950 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.884 8.780 -0.983 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.906 9.878 -1.050 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.274 9.733 -0.999 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.620 11.201 -0.869 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.796 10.951 -0.775 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.828 11.878 -0.681 1.00 10.00 N ATOM 0 H HIS A 80 -10.920 7.375 -0.438 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.132 9.459 0.913 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.021 9.047 -1.593 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.302 7.866 -1.406 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.636 11.645 -0.871 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.852 11.157 -0.683 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.950 12.876 -0.507 1.00 10.00 H new