USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= -2.01 K(o=-1.7,f=-6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.356 K(o=-1.7,f=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 55:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 13 GLN : amide:sc= -0.0745 K(o=-0.074,f=-2.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.26) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00543) USER MOD Single : A 20 SER OG : rot 40:sc= 0.0382 USER MOD Single : A 21 THR OG1 : rot 80:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 91:sc= 0.684 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.67) USER MOD Single : A 55 THR OG1 : rot 160:sc= 0.619 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 71 SER OG : rot 62:sc= 0.87 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -116:sc= 1.17 USER MOD Single : A 80 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.672 -8.202 -10.678 1.00 0.00 N ATOM 66 CA LYS A 5 2.178 -8.693 -9.414 1.00 0.00 C ATOM 67 C LYS A 5 1.014 -9.080 -8.502 1.00 0.00 C ATOM 68 O LYS A 5 0.883 -8.589 -7.387 1.00 0.00 O ATOM 69 CB LYS A 5 3.222 -7.743 -8.808 1.00 0.00 C ATOM 70 CG LYS A 5 4.398 -7.389 -9.725 1.00 0.00 C ATOM 71 CD LYS A 5 5.527 -6.761 -8.897 1.00 0.00 C ATOM 72 CE LYS A 5 6.345 -5.790 -9.761 1.00 0.00 C ATOM 73 NZ LYS A 5 7.696 -5.555 -9.211 1.00 0.00 N ATOM 0 HA LYS A 5 2.742 -9.613 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.722 -6.820 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.616 -8.196 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.760 -8.284 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.072 -6.695 -10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.108 -6.232 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.176 -7.543 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.431 -6.190 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.816 -4.840 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.211 -4.894 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.617 -5.149 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.212 -6.456 -9.162 1.00 0.00 H new ATOM 87 N TYR A 6 0.157 -9.979 -8.990 1.00 0.00 N ATOM 88 CA TYR A 6 -0.902 -10.551 -8.174 1.00 0.00 C ATOM 89 C TYR A 6 -0.273 -11.253 -6.967 1.00 0.00 C ATOM 90 O TYR A 6 0.407 -12.259 -7.159 1.00 0.00 O ATOM 91 CB TYR A 6 -1.758 -11.517 -9.005 1.00 0.00 C ATOM 92 CG TYR A 6 -2.573 -10.840 -10.087 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.684 -10.052 -9.732 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.213 -10.967 -11.442 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.370 -9.321 -10.716 1.00 0.00 C ATOM 96 CE2 TYR A 6 -2.919 -10.255 -12.426 1.00 0.00 C ATOM 97 CZ TYR A 6 -3.949 -9.374 -12.054 1.00 0.00 C ATOM 98 OH TYR A 6 -4.493 -8.538 -12.979 1.00 0.00 O ATOM 0 H TYR A 6 0.181 -10.324 -9.950 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.563 -9.761 -7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.107 -12.260 -9.466 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.433 -12.054 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.009 -10.009 -8.703 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.394 -11.612 -11.725 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.223 -8.717 -10.443 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.670 -10.385 -13.469 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.402 -7.611 -12.676 1.00 0.00 H new ATOM 108 N TYR A 7 -0.468 -10.731 -5.750 1.00 0.00 N ATOM 109 CA TYR A 7 0.065 -11.351 -4.536 1.00 0.00 C ATOM 110 C TYR A 7 -1.061 -11.679 -3.558 1.00 0.00 C ATOM 111 O TYR A 7 -2.097 -11.011 -3.533 1.00 0.00 O ATOM 112 CB TYR A 7 1.126 -10.459 -3.886 1.00 0.00 C ATOM 113 CG TYR A 7 2.433 -10.345 -4.643 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.286 -11.460 -4.755 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.869 -9.087 -5.087 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.542 -11.329 -5.376 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.159 -8.943 -5.619 1.00 0.00 C ATOM 118 CZ TYR A 7 4.977 -10.066 -5.808 1.00 0.00 C ATOM 119 OH TYR A 7 6.154 -9.905 -6.475 1.00 0.00 O ATOM 0 H TYR A 7 -0.995 -9.874 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 7 0.548 -12.287 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.709 -9.459 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.336 -10.843 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.976 -12.417 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.213 -8.232 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.169 -12.197 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.524 -7.962 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 7 6.280 -8.958 -6.691 1.00 0.00 H new ATOM 129 N THR A 8 -0.880 -12.754 -2.790 1.00 0.00 N ATOM 130 CA THR A 8 -1.853 -13.277 -1.852 1.00 0.00 C ATOM 131 C THR A 8 -1.782 -12.504 -0.534 1.00 0.00 C ATOM 132 O THR A 8 -0.778 -11.861 -0.221 1.00 0.00 O ATOM 133 CB THR A 8 -1.537 -14.768 -1.638 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.132 -14.914 -1.587 1.00 0.00 O ATOM 135 CG2 THR A 8 -2.059 -15.625 -2.793 1.00 0.00 C ATOM 0 H THR A 8 -0.018 -13.299 -2.811 1.00 0.00 H new ATOM 0 HA THR A 8 -2.866 -13.165 -2.240 1.00 0.00 H new ATOM 0 HB THR A 8 -2.018 -15.096 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.094 -15.858 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.818 -16.672 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.140 -15.510 -2.872 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.592 -15.304 -3.724 1.00 0.00 H new ATOM 143 N LEU A 9 -2.862 -12.581 0.248 1.00 0.00 N ATOM 144 CA LEU A 9 -3.015 -11.832 1.481 1.00 0.00 C ATOM 145 C LEU A 9 -1.850 -12.146 2.415 1.00 0.00 C ATOM 146 O LEU A 9 -1.178 -11.230 2.879 1.00 0.00 O ATOM 147 CB LEU A 9 -4.361 -12.170 2.143 1.00 0.00 C ATOM 148 CG LEU A 9 -5.612 -11.558 1.485 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.677 -10.036 1.652 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.764 -11.921 0.006 1.00 0.00 C ATOM 0 H LEU A 9 -3.662 -13.176 0.032 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.008 -10.764 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.475 -13.254 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.324 -11.842 3.182 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.449 -12.005 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.578 -9.655 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.700 -9.787 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.800 -9.582 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.666 -11.456 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.896 -11.562 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.838 -13.004 -0.097 1.00 0.00 H new ATOM 162 N GLU A 10 -1.597 -13.435 2.673 1.00 0.00 N ATOM 163 CA GLU A 10 -0.523 -13.828 3.572 1.00 0.00 C ATOM 164 C GLU A 10 0.813 -13.276 3.069 1.00 0.00 C ATOM 165 O GLU A 10 1.512 -12.595 3.811 1.00 0.00 O ATOM 166 CB GLU A 10 -0.478 -15.350 3.778 1.00 0.00 C ATOM 167 CG GLU A 10 0.108 -15.645 5.167 1.00 0.00 C ATOM 168 CD GLU A 10 0.529 -17.098 5.327 1.00 0.00 C ATOM 169 OE1 GLU A 10 -0.311 -17.968 5.011 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.682 -17.305 5.762 1.00 0.00 O ATOM 0 H GLU A 10 -2.121 -14.213 2.272 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.721 -13.394 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.479 -15.772 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.131 -15.818 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.970 -15.000 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.631 -15.399 5.929 1.00 0.00 H new ATOM 177 N GLU A 11 1.155 -13.530 1.801 1.00 0.00 N ATOM 178 CA GLU A 11 2.394 -13.045 1.201 1.00 0.00 C ATOM 179 C GLU A 11 2.569 -11.554 1.510 1.00 0.00 C ATOM 180 O GLU A 11 3.554 -11.127 2.114 1.00 0.00 O ATOM 181 CB GLU A 11 2.363 -13.310 -0.313 1.00 0.00 C ATOM 182 CG GLU A 11 3.749 -13.211 -0.964 1.00 0.00 C ATOM 183 CD GLU A 11 4.491 -14.538 -0.876 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.178 -15.409 -1.716 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.332 -14.663 0.039 1.00 0.00 O ATOM 0 H GLU A 11 0.577 -14.079 1.165 1.00 0.00 H new ATOM 0 HA GLU A 11 3.248 -13.575 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.952 -14.303 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.692 -12.595 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.644 -12.918 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.331 -12.432 -0.472 1.00 0.00 H new ATOM 192 N ILE A 12 1.568 -10.749 1.151 1.00 0.00 N ATOM 193 CA ILE A 12 1.652 -9.315 1.364 1.00 0.00 C ATOM 194 C ILE A 12 1.709 -8.985 2.859 1.00 0.00 C ATOM 195 O ILE A 12 2.398 -8.054 3.261 1.00 0.00 O ATOM 196 CB ILE A 12 0.504 -8.588 0.659 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.449 -8.933 -0.839 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.726 -7.080 0.825 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.959 -8.719 -1.398 1.00 0.00 C ATOM 0 H ILE A 12 0.701 -11.067 0.717 1.00 0.00 H new ATOM 0 HA ILE A 12 2.581 -8.957 0.920 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.440 -8.901 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.160 -8.313 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.750 -9.970 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.080 -6.537 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.736 -6.828 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.680 -6.801 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.971 -8.970 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.663 -9.359 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.247 -7.676 -1.268 1.00 0.00 H new ATOM 211 N GLN A 13 1.014 -9.755 3.697 1.00 0.00 N ATOM 212 CA GLN A 13 1.073 -9.602 5.144 1.00 0.00 C ATOM 213 C GLN A 13 2.492 -9.848 5.667 1.00 0.00 C ATOM 214 O GLN A 13 2.916 -9.241 6.650 1.00 0.00 O ATOM 215 CB GLN A 13 -0.009 -10.471 5.806 1.00 0.00 C ATOM 216 CG GLN A 13 -0.204 -10.189 7.304 1.00 0.00 C ATOM 217 CD GLN A 13 0.625 -11.086 8.224 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.544 -11.784 7.801 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.283 -11.099 9.509 1.00 0.00 N ATOM 0 H GLN A 13 0.394 -10.503 3.387 1.00 0.00 H new ATOM 0 HA GLN A 13 0.847 -8.572 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.956 -10.311 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.252 -11.521 5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.052 -9.148 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.259 -10.310 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.483 -10.512 9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.787 -11.696 10.165 1.00 0.00 H new ATOM 228 N LYS A 14 3.245 -10.719 4.992 1.00 0.00 N ATOM 229 CA LYS A 14 4.621 -11.014 5.345 1.00 0.00 C ATOM 230 C LYS A 14 5.546 -9.891 4.852 1.00 0.00 C ATOM 231 O LYS A 14 6.533 -9.585 5.520 1.00 0.00 O ATOM 232 CB LYS A 14 5.001 -12.415 4.832 1.00 0.00 C ATOM 233 CG LYS A 14 4.079 -13.513 5.405 1.00 0.00 C ATOM 234 CD LYS A 14 4.438 -13.936 6.831 1.00 0.00 C ATOM 235 CE LYS A 14 5.545 -14.998 6.817 1.00 0.00 C ATOM 236 NZ LYS A 14 6.288 -15.025 8.090 1.00 0.00 N ATOM 0 H LYS A 14 2.908 -11.239 4.181 1.00 0.00 H new ATOM 0 HA LYS A 14 4.741 -11.043 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.947 -12.429 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.034 -12.632 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.050 -13.155 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.122 -14.387 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.767 -13.068 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.554 -14.331 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.107 -15.978 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.234 -14.795 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.028 -15.754 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.726 -14.097 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.634 -15.243 8.869 1.00 0.00 H new ATOM 250 N HIS A 15 5.218 -9.246 3.723 1.00 0.00 N ATOM 251 CA HIS A 15 5.924 -8.060 3.235 1.00 0.00 C ATOM 252 C HIS A 15 5.814 -6.891 4.223 1.00 0.00 C ATOM 253 O HIS A 15 4.778 -6.243 4.324 1.00 0.00 O ATOM 254 CB HIS A 15 5.389 -7.633 1.861 1.00 0.00 C ATOM 255 CG HIS A 15 6.137 -8.237 0.705 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.172 -7.638 0.026 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.912 -9.460 0.134 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.571 -8.492 -0.930 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.832 -9.612 -0.908 1.00 0.00 N ATOM 0 H HIS A 15 4.448 -9.538 3.121 1.00 0.00 H new ATOM 0 HA HIS A 15 6.976 -8.328 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.338 -7.913 1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.436 -6.547 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.161 -10.177 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.378 -8.303 -1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.923 -10.416 -1.529 1.00 0.00 H new ATOM 267 N LYS A 16 6.916 -6.587 4.911 1.00 0.00 N ATOM 268 CA LYS A 16 7.019 -5.492 5.875 1.00 0.00 C ATOM 269 C LYS A 16 8.468 -5.325 6.330 1.00 0.00 C ATOM 270 O LYS A 16 8.959 -4.206 6.483 1.00 0.00 O ATOM 271 CB LYS A 16 6.094 -5.711 7.086 1.00 0.00 C ATOM 272 CG LYS A 16 6.085 -7.149 7.638 1.00 0.00 C ATOM 273 CD LYS A 16 6.350 -7.165 9.146 1.00 0.00 C ATOM 274 CE LYS A 16 6.150 -8.570 9.725 1.00 0.00 C ATOM 275 NZ LYS A 16 7.168 -9.522 9.229 1.00 0.00 N ATOM 0 H LYS A 16 7.785 -7.111 4.809 1.00 0.00 H new ATOM 0 HA LYS A 16 6.695 -4.578 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.396 -5.032 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.077 -5.439 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.122 -7.615 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.843 -7.742 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.368 -6.828 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.680 -6.464 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.196 -8.524 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.156 -8.932 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.018 -10.452 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.086 -9.612 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.117 -9.173 9.472 1.00 0.00 H new ATOM 334 N SER A 20 10.792 -2.502 3.001 1.00 0.00 N ATOM 335 CA SER A 20 9.801 -2.906 2.008 1.00 0.00 C ATOM 336 C SER A 20 8.375 -2.584 2.468 1.00 0.00 C ATOM 337 O SER A 20 7.560 -3.483 2.673 1.00 0.00 O ATOM 338 CB SER A 20 9.978 -4.388 1.666 1.00 0.00 C ATOM 339 OG SER A 20 11.226 -4.571 1.025 1.00 0.00 O ATOM 0 HA SER A 20 9.964 -2.328 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.929 -4.991 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.169 -4.723 1.016 1.00 0.00 H new ATOM 0 HG SER A 20 11.901 -4.006 1.456 1.00 0.00 H new ATOM 345 N THR A 21 8.066 -1.297 2.625 1.00 0.00 N ATOM 346 CA THR A 21 6.785 -0.804 3.058 1.00 0.00 C ATOM 347 C THR A 21 5.779 -0.906 1.915 1.00 0.00 C ATOM 348 O THR A 21 5.554 0.035 1.151 1.00 0.00 O ATOM 349 CB THR A 21 6.974 0.612 3.600 1.00 0.00 C ATOM 350 OG1 THR A 21 7.981 0.559 4.591 1.00 0.00 O ATOM 351 CG2 THR A 21 5.662 1.085 4.219 1.00 0.00 C ATOM 0 H THR A 21 8.737 -0.550 2.443 1.00 0.00 H new ATOM 0 HA THR A 21 6.372 -1.406 3.867 1.00 0.00 H new ATOM 0 HB THR A 21 7.260 1.302 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.862 0.546 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.787 2.095 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.880 1.083 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.381 0.415 5.031 1.00 0.00 H new ATOM 359 N TRP A 22 5.186 -2.092 1.823 1.00 0.00 N ATOM 360 CA TRP A 22 4.052 -2.382 0.972 1.00 0.00 C ATOM 361 C TRP A 22 2.766 -2.150 1.755 1.00 0.00 C ATOM 362 O TRP A 22 2.768 -2.233 2.983 1.00 0.00 O ATOM 363 CB TRP A 22 4.131 -3.834 0.529 1.00 0.00 C ATOM 364 CG TRP A 22 5.215 -4.162 -0.448 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.344 -3.460 -0.706 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.226 -5.281 -1.369 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.050 -4.076 -1.717 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.405 -5.210 -2.164 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.334 -6.340 -1.618 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.694 -6.159 -3.151 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.630 -7.321 -2.580 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.816 -7.238 -3.334 1.00 0.00 C ATOM 0 H TRP A 22 5.497 -2.901 2.360 1.00 0.00 H new ATOM 0 HA TRP A 22 4.061 -1.732 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.265 -4.457 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.174 -4.111 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.645 -2.556 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.937 -3.736 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.410 -6.400 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.579 -6.062 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.946 -8.141 -2.741 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.051 -8.007 -4.055 1.00 0.00 H new ATOM 383 N VAL A 23 1.671 -1.903 1.039 1.00 0.00 N ATOM 384 CA VAL A 23 0.330 -1.760 1.595 1.00 0.00 C ATOM 385 C VAL A 23 -0.683 -2.192 0.528 1.00 0.00 C ATOM 386 O VAL A 23 -0.440 -1.993 -0.666 1.00 0.00 O ATOM 387 CB VAL A 23 0.067 -0.310 2.046 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.601 0.003 3.448 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.662 0.715 1.080 1.00 0.00 C ATOM 0 H VAL A 23 1.695 -1.794 0.025 1.00 0.00 H new ATOM 0 HA VAL A 23 0.231 -2.392 2.478 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.020 -0.231 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.380 1.041 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.124 -0.655 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.679 -0.154 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.450 1.721 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.741 0.572 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.220 0.584 0.092 1.00 0.00 H new ATOM 399 N ILE A 24 -1.806 -2.787 0.953 1.00 0.00 N ATOM 400 CA ILE A 24 -2.873 -3.234 0.062 1.00 0.00 C ATOM 401 C ILE A 24 -4.082 -2.315 0.191 1.00 0.00 C ATOM 402 O ILE A 24 -4.999 -2.565 0.968 1.00 0.00 O ATOM 403 CB ILE A 24 -3.228 -4.709 0.298 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.618 -5.084 1.722 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.018 -5.557 -0.034 1.00 0.00 C ATOM 406 CD1 ILE A 24 -4.934 -5.860 1.783 1.00 0.00 C ATOM 0 H ILE A 24 -1.996 -2.971 1.938 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.517 -3.171 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.099 -4.883 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.825 -5.685 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.706 -4.178 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.255 -6.608 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.742 -5.405 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.185 -5.269 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.166 -6.103 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.735 -5.251 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.840 -6.781 1.207 1.00 0.00 H new ATOM 418 N LEU A 25 -4.084 -1.222 -0.564 1.00 0.00 N ATOM 419 CA LEU A 25 -5.150 -0.245 -0.456 1.00 0.00 C ATOM 420 C LEU A 25 -6.276 -0.690 -1.397 1.00 0.00 C ATOM 421 O LEU A 25 -6.038 -0.972 -2.574 1.00 0.00 O ATOM 422 CB LEU A 25 -4.626 1.175 -0.714 1.00 0.00 C ATOM 423 CG LEU A 25 -3.271 1.439 -0.027 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.705 2.779 -0.469 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.357 1.476 1.495 1.00 0.00 C ATOM 0 H LEU A 25 -3.364 -0.995 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.554 -0.199 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.522 1.331 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.358 1.899 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.633 0.607 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.749 2.951 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.560 2.774 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.400 3.574 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.367 1.666 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.038 2.270 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.727 0.519 1.862 1.00 0.00 H new ATOM 437 N HIS A 26 -7.494 -0.806 -0.866 1.00 0.00 N ATOM 438 CA HIS A 26 -8.673 -1.281 -1.580 1.00 0.00 C ATOM 439 C HIS A 26 -8.465 -2.707 -2.107 1.00 0.00 C ATOM 440 O HIS A 26 -8.798 -3.670 -1.422 1.00 0.00 O ATOM 441 CB HIS A 26 -9.094 -0.284 -2.676 1.00 0.00 C ATOM 442 CG HIS A 26 -9.500 1.066 -2.142 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.787 1.551 -2.052 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.655 2.048 -1.698 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.714 2.798 -1.552 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.435 3.146 -1.335 1.00 0.00 N ATOM 0 H HIS A 26 -7.690 -0.563 0.105 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.506 -1.335 -0.879 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.267 -0.155 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.925 -0.707 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.578 1.984 -1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.566 3.431 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.099 4.039 -0.975 1.00 0.00 H new ATOM 454 N HIS A 27 -7.935 -2.844 -3.325 1.00 0.00 N ATOM 455 CA HIS A 27 -7.686 -4.129 -3.969 1.00 0.00 C ATOM 456 C HIS A 27 -6.441 -4.090 -4.852 1.00 0.00 C ATOM 457 O HIS A 27 -6.288 -4.940 -5.732 1.00 0.00 O ATOM 458 CB HIS A 27 -8.941 -4.583 -4.737 1.00 0.00 C ATOM 459 CG HIS A 27 -9.856 -5.409 -3.876 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.483 -6.531 -3.174 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.175 -5.162 -3.601 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.553 -6.946 -2.481 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.612 -6.152 -2.718 1.00 0.00 N ATOM 0 H HIS A 27 -7.663 -2.047 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.479 -4.871 -3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.479 -3.709 -5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.642 -5.163 -5.610 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.768 -4.350 -3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.563 -7.802 -1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.550 -6.253 -2.329 1.00 0.00 H new ATOM 471 N LYS A 28 -5.536 -3.134 -4.618 1.00 0.00 N ATOM 472 CA LYS A 28 -4.280 -3.080 -5.345 1.00 0.00 C ATOM 473 C LYS A 28 -3.116 -2.967 -4.367 1.00 0.00 C ATOM 474 O LYS A 28 -3.267 -2.398 -3.286 1.00 0.00 O ATOM 475 CB LYS A 28 -4.298 -1.995 -6.428 1.00 0.00 C ATOM 476 CG LYS A 28 -5.197 -2.376 -7.621 1.00 0.00 C ATOM 477 CD LYS A 28 -6.657 -1.927 -7.432 1.00 0.00 C ATOM 478 CE LYS A 28 -6.969 -0.601 -8.139 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.249 -0.797 -9.576 1.00 0.00 N ATOM 0 H LYS A 28 -5.657 -2.391 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.138 -4.013 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.649 -1.058 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.282 -1.821 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.798 -1.926 -8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.169 -3.457 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.323 -2.702 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.865 -1.823 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.828 -0.129 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.126 0.080 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.455 0.122 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.420 -1.224 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.069 -1.426 -9.687 1.00 0.00 H new ATOM 493 N VAL A 29 -1.978 -3.570 -4.732 1.00 0.00 N ATOM 494 CA VAL A 29 -0.789 -3.600 -3.901 1.00 0.00 C ATOM 495 C VAL A 29 0.109 -2.456 -4.345 1.00 0.00 C ATOM 496 O VAL A 29 0.532 -2.400 -5.507 1.00 0.00 O ATOM 497 CB VAL A 29 -0.069 -4.962 -3.951 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.917 -5.035 -2.773 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.064 -6.119 -3.868 1.00 0.00 C ATOM 0 H VAL A 29 -1.865 -4.053 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.067 -3.471 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 29 0.461 -5.050 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.436 -5.993 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.644 -4.227 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.371 -4.937 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.525 -7.066 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.620 -6.055 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.758 -6.063 -4.707 1.00 0.00 H new ATOM 509 N TYR A 30 0.363 -1.536 -3.415 1.00 0.00 N ATOM 510 CA TYR A 30 1.165 -0.352 -3.648 1.00 0.00 C ATOM 511 C TYR A 30 2.485 -0.518 -2.902 1.00 0.00 C ATOM 512 O TYR A 30 2.477 -0.900 -1.728 1.00 0.00 O ATOM 513 CB TYR A 30 0.383 0.880 -3.184 1.00 0.00 C ATOM 514 CG TYR A 30 -0.928 1.071 -3.920 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.929 1.672 -5.187 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.123 0.547 -3.400 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.131 1.814 -5.902 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.324 0.686 -4.119 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.335 1.355 -5.350 1.00 0.00 C ATOM 520 OH TYR A 30 -4.505 1.524 -6.030 1.00 0.00 O ATOM 0 H TYR A 30 0.006 -1.601 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 30 1.386 -0.217 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.183 0.793 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.001 1.767 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.003 2.027 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.120 0.037 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.127 2.277 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.240 0.276 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.244 1.148 -5.508 1.00 0.00 H new ATOM 530 N ASP A 31 3.600 -0.250 -3.590 1.00 0.00 N ATOM 531 CA ASP A 31 4.922 -0.215 -2.979 1.00 0.00 C ATOM 532 C ASP A 31 5.261 1.236 -2.701 1.00 0.00 C ATOM 533 O ASP A 31 5.226 2.057 -3.616 1.00 0.00 O ATOM 534 CB ASP A 31 5.990 -0.798 -3.909 1.00 0.00 C ATOM 535 CG ASP A 31 7.394 -0.633 -3.339 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.501 -0.378 -2.118 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.354 -0.770 -4.122 1.00 0.00 O ATOM 0 H ASP A 31 3.605 -0.051 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 31 4.907 -0.812 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.788 -1.856 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.933 -0.306 -4.880 1.00 0.00 H new ATOM 542 N LEU A 32 5.591 1.551 -1.452 1.00 0.00 N ATOM 543 CA LEU A 32 5.938 2.897 -1.059 1.00 0.00 C ATOM 544 C LEU A 32 7.331 2.924 -0.435 1.00 0.00 C ATOM 545 O LEU A 32 7.694 3.911 0.201 1.00 0.00 O ATOM 546 CB LEU A 32 4.848 3.407 -0.117 1.00 0.00 C ATOM 547 CG LEU A 32 3.436 3.190 -0.702 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.449 3.530 0.391 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.090 4.004 -1.961 1.00 0.00 C ATOM 0 H LEU A 32 5.623 0.874 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 32 5.985 3.562 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.927 2.894 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.002 4.469 0.076 1.00 0.00 H new ATOM 0 HG LEU A 32 3.393 2.152 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.433 3.390 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.616 2.877 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.585 4.568 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.074 3.768 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.162 5.068 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.788 3.753 -2.760 1.00 0.00 H new ATOM 561 N THR A 33 8.136 1.881 -0.665 1.00 0.00 N ATOM 562 CA THR A 33 9.493 1.763 -0.144 1.00 0.00 C ATOM 563 C THR A 33 10.312 3.030 -0.404 1.00 0.00 C ATOM 564 O THR A 33 10.961 3.547 0.502 1.00 0.00 O ATOM 565 CB THR A 33 10.141 0.512 -0.753 1.00 0.00 C ATOM 566 OG1 THR A 33 9.391 -0.612 -0.355 1.00 0.00 O ATOM 567 CG2 THR A 33 11.597 0.326 -0.320 1.00 0.00 C ATOM 0 H THR A 33 7.852 1.081 -1.231 1.00 0.00 H new ATOM 0 HA THR A 33 9.462 1.653 0.940 1.00 0.00 H new ATOM 0 HB THR A 33 10.145 0.630 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.692 -0.790 -1.018 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.002 -0.574 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.183 1.190 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.645 0.230 0.765 1.00 0.00 H new ATOM 575 N LYS A 34 10.272 3.546 -1.638 1.00 0.00 N ATOM 576 CA LYS A 34 10.969 4.769 -2.021 1.00 0.00 C ATOM 577 C LYS A 34 10.037 5.985 -2.047 1.00 0.00 C ATOM 578 O LYS A 34 10.375 6.994 -2.657 1.00 0.00 O ATOM 579 CB LYS A 34 11.669 4.541 -3.369 1.00 0.00 C ATOM 580 CG LYS A 34 12.875 3.601 -3.195 1.00 0.00 C ATOM 581 CD LYS A 34 14.142 4.191 -3.835 1.00 0.00 C ATOM 582 CE LYS A 34 14.166 4.047 -5.363 1.00 0.00 C ATOM 583 NZ LYS A 34 14.522 2.676 -5.782 1.00 0.00 N ATOM 0 H LYS A 34 9.749 3.119 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 34 11.721 5.000 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.966 4.112 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.000 5.495 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.050 3.424 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.653 2.634 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.216 5.247 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.018 3.697 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.188 4.308 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.883 4.753 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.527 2.621 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.466 2.436 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.824 2.005 -5.403 1.00 0.00 H new ATOM 597 N PHE A 35 8.887 5.907 -1.371 1.00 0.00 N ATOM 598 CA PHE A 35 7.947 7.014 -1.230 1.00 0.00 C ATOM 599 C PHE A 35 7.826 7.444 0.237 1.00 0.00 C ATOM 600 O PHE A 35 7.181 8.443 0.530 1.00 0.00 O ATOM 601 CB PHE A 35 6.600 6.595 -1.830 1.00 0.00 C ATOM 602 CG PHE A 35 5.483 7.620 -1.762 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.657 8.909 -2.298 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.261 7.282 -1.158 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.629 9.861 -2.194 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.205 8.204 -1.128 1.00 0.00 C ATOM 607 CZ PHE A 35 3.402 9.510 -1.606 1.00 0.00 C ATOM 0 H PHE A 35 8.581 5.056 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 35 8.311 7.886 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.759 6.332 -2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.266 5.691 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.583 9.167 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.134 6.306 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.782 10.863 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.242 7.910 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.613 10.242 -1.522 1.00 0.00 H new ATOM 617 N LEU A 36 8.458 6.721 1.168 1.00 0.00 N ATOM 618 CA LEU A 36 8.357 6.978 2.595 1.00 0.00 C ATOM 619 C LEU A 36 8.649 8.445 2.935 1.00 0.00 C ATOM 620 O LEU A 36 7.802 9.122 3.512 1.00 0.00 O ATOM 621 CB LEU A 36 9.299 6.024 3.342 1.00 0.00 C ATOM 622 CG LEU A 36 8.837 4.558 3.370 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.779 3.714 4.241 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.393 4.406 3.868 1.00 0.00 C ATOM 0 H LEU A 36 9.061 5.931 0.940 1.00 0.00 H new ATOM 0 HA LEU A 36 7.332 6.793 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.285 6.072 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.411 6.375 4.368 1.00 0.00 H new ATOM 0 HG LEU A 36 8.869 4.199 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.437 2.679 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.789 3.759 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.780 4.104 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.117 3.351 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.314 4.802 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.721 4.957 3.210 1.00 0.00 H new ATOM 636 N GLU A 37 9.835 8.948 2.577 1.00 0.00 N ATOM 637 CA GLU A 37 10.188 10.336 2.809 1.00 0.00 C ATOM 638 C GLU A 37 9.348 11.286 1.945 1.00 0.00 C ATOM 639 O GLU A 37 8.928 12.334 2.428 1.00 0.00 O ATOM 640 CB GLU A 37 11.687 10.533 2.555 1.00 0.00 C ATOM 641 CG GLU A 37 12.535 10.149 3.775 1.00 0.00 C ATOM 642 CD GLU A 37 13.963 10.655 3.618 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.179 11.844 3.934 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.804 9.849 3.166 1.00 0.00 O ATOM 0 H GLU A 37 10.567 8.402 2.122 1.00 0.00 H new ATOM 0 HA GLU A 37 9.969 10.581 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.991 9.931 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.876 11.575 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.092 10.568 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.539 9.066 3.895 1.00 0.00 H new ATOM 651 N GLU A 38 9.125 10.949 0.668 1.00 0.00 N ATOM 652 CA GLU A 38 8.364 11.805 -0.235 1.00 0.00 C ATOM 653 C GLU A 38 6.956 12.086 0.297 1.00 0.00 C ATOM 654 O GLU A 38 6.467 13.209 0.185 1.00 0.00 O ATOM 655 CB GLU A 38 8.244 11.155 -1.618 1.00 0.00 C ATOM 656 CG GLU A 38 9.371 11.478 -2.604 1.00 0.00 C ATOM 657 CD GLU A 38 8.847 11.318 -4.030 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.897 10.179 -4.544 1.00 0.00 O ATOM 659 OE2 GLU A 38 8.341 12.332 -4.555 1.00 0.00 O ATOM 0 H GLU A 38 9.464 10.087 0.242 1.00 0.00 H new ATOM 0 HA GLU A 38 8.906 12.748 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.199 10.074 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.298 11.463 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.729 12.496 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.218 10.813 -2.438 1.00 0.00 H new ATOM 666 N HIS A 39 6.272 11.054 0.799 1.00 0.00 N ATOM 667 CA HIS A 39 4.888 11.155 1.230 1.00 0.00 C ATOM 668 C HIS A 39 4.744 12.311 2.225 1.00 0.00 C ATOM 669 O HIS A 39 5.374 12.278 3.280 1.00 0.00 O ATOM 670 CB HIS A 39 4.434 9.833 1.852 1.00 0.00 C ATOM 671 CG HIS A 39 3.029 9.881 2.404 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.708 9.948 3.734 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.854 9.785 1.707 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.370 9.887 3.835 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.797 9.763 2.624 1.00 0.00 N ATOM 0 H HIS A 39 6.671 10.123 0.916 1.00 0.00 H new ATOM 0 HA HIS A 39 4.251 11.358 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.494 9.046 1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.122 9.562 2.653 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.367 10.030 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.759 9.735 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.825 9.932 4.767 1.00 0.00 H new ATOM 683 N PRO A 40 3.918 13.326 1.930 1.00 0.00 N ATOM 684 CA PRO A 40 3.860 14.542 2.725 1.00 0.00 C ATOM 685 C PRO A 40 3.380 14.247 4.145 1.00 0.00 C ATOM 686 O PRO A 40 3.880 14.833 5.101 1.00 0.00 O ATOM 687 CB PRO A 40 2.924 15.489 1.969 1.00 0.00 C ATOM 688 CG PRO A 40 2.047 14.545 1.148 1.00 0.00 C ATOM 689 CD PRO A 40 2.989 13.392 0.815 1.00 0.00 C ATOM 0 HA PRO A 40 4.842 14.998 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.330 16.096 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.479 16.177 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.180 14.205 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.669 15.029 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.442 12.456 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.513 13.570 -0.124 1.00 0.00 H new ATOM 697 N GLY A 41 2.447 13.301 4.294 1.00 0.00 N ATOM 698 CA GLY A 41 1.997 12.866 5.606 1.00 0.00 C ATOM 699 C GLY A 41 3.083 12.117 6.387 1.00 0.00 C ATOM 700 O GLY A 41 2.898 11.866 7.576 1.00 0.00 O ATOM 0 H GLY A 41 1.992 12.825 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.675 13.734 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.127 12.220 5.491 1.00 0.00 H new ATOM 704 N GLY A 42 4.194 11.737 5.738 1.00 0.00 N ATOM 705 CA GLY A 42 5.343 11.127 6.386 1.00 0.00 C ATOM 706 C GLY A 42 5.599 9.688 6.000 1.00 0.00 C ATOM 707 O GLY A 42 4.796 9.065 5.309 1.00 0.00 O ATOM 0 H GLY A 42 4.312 11.851 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.230 11.715 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.204 11.179 7.466 1.00 0.00 H new ATOM 711 N GLU A 43 6.686 9.155 6.561 1.00 0.00 N ATOM 712 CA GLU A 43 7.020 7.750 6.490 1.00 0.00 C ATOM 713 C GLU A 43 6.177 6.980 7.511 1.00 0.00 C ATOM 714 O GLU A 43 5.541 5.985 7.170 1.00 0.00 O ATOM 715 CB GLU A 43 8.528 7.592 6.782 1.00 0.00 C ATOM 716 CG GLU A 43 9.022 6.132 6.913 1.00 0.00 C ATOM 717 CD GLU A 43 9.056 5.546 8.323 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.892 6.327 9.282 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.276 4.315 8.411 1.00 0.00 O ATOM 0 H GLU A 43 7.365 9.707 7.085 1.00 0.00 H new ATOM 0 HA GLU A 43 6.806 7.349 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.090 8.079 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.761 8.122 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.383 5.500 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.027 6.074 6.495 1.00 0.00 H new ATOM 726 N GLU A 44 6.176 7.443 8.768 1.00 0.00 N ATOM 727 CA GLU A 44 5.669 6.665 9.896 1.00 0.00 C ATOM 728 C GLU A 44 4.234 6.222 9.634 1.00 0.00 C ATOM 729 O GLU A 44 3.926 5.039 9.703 1.00 0.00 O ATOM 730 CB GLU A 44 5.798 7.450 11.209 1.00 0.00 C ATOM 731 CG GLU A 44 5.618 6.537 12.431 1.00 0.00 C ATOM 732 CD GLU A 44 5.744 7.321 13.731 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.867 7.804 13.994 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.716 7.445 14.430 1.00 0.00 O ATOM 0 H GLU A 44 6.527 8.365 9.027 1.00 0.00 H new ATOM 0 HA GLU A 44 6.277 5.767 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.776 7.930 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.052 8.244 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.641 6.056 12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.365 5.744 12.408 1.00 0.00 H new ATOM 741 N VAL A 45 3.366 7.161 9.250 1.00 0.00 N ATOM 742 CA VAL A 45 1.983 6.870 8.918 1.00 0.00 C ATOM 743 C VAL A 45 1.881 5.742 7.880 1.00 0.00 C ATOM 744 O VAL A 45 0.984 4.912 7.969 1.00 0.00 O ATOM 745 CB VAL A 45 1.261 8.164 8.502 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.277 9.205 9.630 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.822 8.789 7.225 1.00 0.00 C ATOM 0 H VAL A 45 3.611 8.147 9.162 1.00 0.00 H new ATOM 0 HA VAL A 45 1.469 6.492 9.802 1.00 0.00 H new ATOM 0 HB VAL A 45 0.233 7.865 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.759 10.106 9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.776 8.798 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.308 9.452 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.267 9.697 6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.874 9.034 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.726 8.082 6.401 1.00 0.00 H new ATOM 757 N LEU A 46 2.813 5.655 6.923 1.00 0.00 N ATOM 758 CA LEU A 46 2.844 4.546 5.977 1.00 0.00 C ATOM 759 C LEU A 46 3.355 3.270 6.632 1.00 0.00 C ATOM 760 O LEU A 46 2.827 2.185 6.382 1.00 0.00 O ATOM 761 CB LEU A 46 3.665 4.905 4.725 1.00 0.00 C ATOM 762 CG LEU A 46 2.846 5.620 3.643 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.677 4.742 3.185 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.226 6.909 4.136 1.00 0.00 C ATOM 0 H LEU A 46 3.554 6.343 6.788 1.00 0.00 H new ATOM 0 HA LEU A 46 1.820 4.358 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.500 5.541 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.090 3.994 4.305 1.00 0.00 H new ATOM 0 HG LEU A 46 3.550 5.826 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.107 5.266 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.062 3.807 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.029 4.527 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.658 7.372 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.560 6.696 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.012 7.589 4.463 1.00 0.00 H new ATOM 776 N ARG A 47 4.399 3.387 7.451 1.00 0.00 N ATOM 777 CA ARG A 47 5.056 2.243 8.063 1.00 0.00 C ATOM 778 C ARG A 47 4.346 1.747 9.331 1.00 0.00 C ATOM 779 O ARG A 47 4.730 0.712 9.867 1.00 0.00 O ATOM 780 CB ARG A 47 6.551 2.565 8.244 1.00 0.00 C ATOM 781 CG ARG A 47 7.455 1.439 7.719 1.00 0.00 C ATOM 782 CD ARG A 47 7.825 0.423 8.804 1.00 0.00 C ATOM 783 NE ARG A 47 9.177 0.695 9.310 1.00 0.00 N ATOM 784 CZ ARG A 47 10.311 0.148 8.843 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.275 -0.718 7.819 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.473 0.474 9.415 1.00 0.00 N ATOM 0 H ARG A 47 4.812 4.284 7.707 1.00 0.00 H new ATOM 0 HA ARG A 47 4.984 1.384 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.787 3.492 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.759 2.733 9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.950 0.924 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.366 1.873 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.105 0.474 9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.776 -0.588 8.399 1.00 0.00 H new ATOM 0 HE ARG A 47 9.262 1.356 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.383 -0.964 7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.140 -1.130 7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.491 1.130 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.343 0.067 9.071 1.00 0.00 H new ATOM 800 N GLU A 48 3.293 2.440 9.776 1.00 0.00 N ATOM 801 CA GLU A 48 2.494 2.119 10.943 1.00 0.00 C ATOM 802 C GLU A 48 2.035 0.664 10.917 1.00 0.00 C ATOM 803 O GLU A 48 2.344 -0.114 11.815 1.00 0.00 O ATOM 804 CB GLU A 48 1.293 3.082 10.986 1.00 0.00 C ATOM 805 CG GLU A 48 1.474 4.210 12.006 1.00 0.00 C ATOM 806 CD GLU A 48 1.266 3.713 13.431 1.00 0.00 C ATOM 807 OE1 GLU A 48 2.260 3.247 14.028 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.107 3.799 13.891 1.00 0.00 O ATOM 0 H GLU A 48 2.966 3.281 9.301 1.00 0.00 H new ATOM 0 HA GLU A 48 3.095 2.240 11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.143 3.514 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.391 2.520 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.474 4.632 11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.767 5.012 11.792 1.00 0.00 H new ATOM 815 N GLN A 49 1.297 0.310 9.866 1.00 0.00 N ATOM 816 CA GLN A 49 0.805 -1.038 9.671 1.00 0.00 C ATOM 817 C GLN A 49 1.750 -1.715 8.690 1.00 0.00 C ATOM 818 O GLN A 49 2.439 -2.669 9.044 1.00 0.00 O ATOM 819 CB GLN A 49 -0.645 -0.988 9.161 1.00 0.00 C ATOM 820 CG GLN A 49 -1.633 -0.634 10.288 1.00 0.00 C ATOM 821 CD GLN A 49 -1.970 -1.837 11.170 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.189 -2.242 12.025 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.130 -2.447 10.948 1.00 0.00 N ATOM 0 H GLN A 49 1.027 0.959 9.127 1.00 0.00 H new ATOM 0 HA GLN A 49 0.785 -1.609 10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.725 -0.251 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.913 -1.953 8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.207 0.157 10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.550 -0.239 9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.764 -2.092 10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.386 -3.270 11.494 1.00 0.00 H new ATOM 832 N ALA A 50 1.777 -1.200 7.455 1.00 0.00 N ATOM 833 CA ALA A 50 2.381 -1.872 6.314 1.00 0.00 C ATOM 834 C ALA A 50 1.762 -3.266 6.113 1.00 0.00 C ATOM 835 O ALA A 50 0.934 -3.692 6.914 1.00 0.00 O ATOM 836 CB ALA A 50 3.902 -1.891 6.480 1.00 0.00 C ATOM 0 H ALA A 50 1.373 -0.292 7.224 1.00 0.00 H new ATOM 0 HA ALA A 50 2.168 -1.322 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.355 -2.394 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.274 -0.868 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.162 -2.424 7.395 1.00 0.00 H new ATOM 842 N GLY A 51 2.124 -3.949 5.022 1.00 0.00 N ATOM 843 CA GLY A 51 1.729 -5.323 4.714 1.00 0.00 C ATOM 844 C GLY A 51 0.336 -5.679 5.229 1.00 0.00 C ATOM 845 O GLY A 51 0.189 -6.502 6.128 1.00 0.00 O ATOM 0 H GLY A 51 2.723 -3.542 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.758 -5.469 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.456 -6.009 5.148 1.00 0.00 H new ATOM 849 N GLY A 52 -0.697 -5.023 4.704 1.00 0.00 N ATOM 850 CA GLY A 52 -2.027 -5.147 5.253 1.00 0.00 C ATOM 851 C GLY A 52 -2.905 -4.074 4.635 1.00 0.00 C ATOM 852 O GLY A 52 -2.407 -3.162 3.956 1.00 0.00 O ATOM 0 H GLY A 52 -0.629 -4.402 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.433 -6.136 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.001 -5.037 6.337 1.00 0.00 H new ATOM 856 N ASP A 53 -4.212 -4.233 4.832 1.00 0.00 N ATOM 857 CA ASP A 53 -5.280 -3.359 4.380 1.00 0.00 C ATOM 858 C ASP A 53 -5.206 -2.040 5.126 1.00 0.00 C ATOM 859 O ASP A 53 -6.056 -1.708 5.948 1.00 0.00 O ATOM 860 CB ASP A 53 -6.656 -4.050 4.459 1.00 0.00 C ATOM 861 CG ASP A 53 -6.925 -4.823 5.745 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.017 -5.584 6.154 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.062 -4.699 6.242 1.00 0.00 O ATOM 0 H ASP A 53 -4.573 -5.035 5.349 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.146 -3.135 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.431 -3.293 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.749 -4.735 3.617 1.00 0.00 H new ATOM 868 N ALA A 54 -4.220 -1.222 4.745 1.00 0.00 N ATOM 869 CA ALA A 54 -4.109 0.117 5.296 1.00 0.00 C ATOM 870 C ALA A 54 -5.251 1.002 4.786 1.00 0.00 C ATOM 871 O ALA A 54 -5.366 2.145 5.218 1.00 0.00 O ATOM 872 CB ALA A 54 -2.734 0.715 4.993 1.00 0.00 C ATOM 0 H ALA A 54 -3.499 -1.466 4.066 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.201 0.062 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.673 1.718 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.959 0.088 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.589 0.766 3.914 1.00 0.00 H new ATOM 878 N THR A 55 -6.095 0.482 3.878 1.00 0.00 N ATOM 879 CA THR A 55 -7.301 1.121 3.388 1.00 0.00 C ATOM 880 C THR A 55 -8.070 1.818 4.505 1.00 0.00 C ATOM 881 O THR A 55 -8.427 2.977 4.346 1.00 0.00 O ATOM 882 CB THR A 55 -8.207 0.095 2.691 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.427 -0.817 1.946 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.169 0.819 1.745 1.00 0.00 C ATOM 0 H THR A 55 -5.937 -0.433 3.456 1.00 0.00 H new ATOM 0 HA THR A 55 -6.995 1.881 2.669 1.00 0.00 H new ATOM 0 HB THR A 55 -8.771 -0.448 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.947 -1.630 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.811 0.090 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.783 1.517 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.598 1.367 0.995 1.00 0.00 H new ATOM 892 N GLU A 56 -8.310 1.129 5.627 1.00 0.00 N ATOM 893 CA GLU A 56 -8.983 1.722 6.776 1.00 0.00 C ATOM 894 C GLU A 56 -8.354 3.071 7.132 1.00 0.00 C ATOM 895 O GLU A 56 -9.050 4.076 7.228 1.00 0.00 O ATOM 896 CB GLU A 56 -8.977 0.723 7.952 1.00 0.00 C ATOM 897 CG GLU A 56 -10.354 0.053 8.077 1.00 0.00 C ATOM 898 CD GLU A 56 -10.285 -1.357 8.638 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.885 -1.508 9.809 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.695 -2.267 7.886 1.00 0.00 O ATOM 0 H GLU A 56 -8.044 0.153 5.758 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.025 1.927 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.208 -0.033 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.729 1.241 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.990 0.662 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.827 0.024 7.095 1.00 0.00 H new ATOM 907 N ASN A 57 -7.029 3.107 7.262 1.00 0.00 N ATOM 908 CA ASN A 57 -6.299 4.313 7.628 1.00 0.00 C ATOM 909 C ASN A 57 -6.335 5.334 6.480 1.00 0.00 C ATOM 910 O ASN A 57 -6.585 6.521 6.679 1.00 0.00 O ATOM 911 CB ASN A 57 -4.867 3.912 8.007 1.00 0.00 C ATOM 912 CG ASN A 57 -4.293 4.823 9.088 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.216 6.033 8.913 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.878 4.252 10.216 1.00 0.00 N ATOM 0 H ASN A 57 -6.431 2.294 7.115 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.765 4.798 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.859 2.880 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.232 3.952 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.484 4.825 10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.954 3.242 10.334 1.00 0.00 H new ATOM 921 N PHE A 58 -6.116 4.857 5.249 1.00 0.00 N ATOM 922 CA PHE A 58 -6.176 5.668 4.038 1.00 0.00 C ATOM 923 C PHE A 58 -7.504 6.425 3.940 1.00 0.00 C ATOM 924 O PHE A 58 -7.507 7.612 3.610 1.00 0.00 O ATOM 925 CB PHE A 58 -5.978 4.778 2.804 1.00 0.00 C ATOM 926 CG PHE A 58 -5.818 5.528 1.496 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.537 5.911 1.061 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.941 5.829 0.700 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.370 6.563 -0.174 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.776 6.499 -0.525 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.490 6.853 -0.969 1.00 0.00 C ATOM 0 H PHE A 58 -5.889 3.879 5.069 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.375 6.406 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.096 4.156 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.831 4.105 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.676 5.703 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.929 5.545 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.382 6.840 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.639 6.742 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.364 7.348 -1.921 1.00 0.00 H new ATOM 941 N GLU A 59 -8.608 5.718 4.208 1.00 0.00 N ATOM 942 CA GLU A 59 -9.985 6.181 4.113 1.00 0.00 C ATOM 943 C GLU A 59 -10.399 6.971 5.353 1.00 0.00 C ATOM 944 O GLU A 59 -11.225 7.874 5.241 1.00 0.00 O ATOM 945 CB GLU A 59 -10.935 4.995 3.901 1.00 0.00 C ATOM 946 CG GLU A 59 -10.875 4.432 2.469 1.00 0.00 C ATOM 947 CD GLU A 59 -11.526 5.353 1.439 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.709 5.695 1.651 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.848 5.678 0.439 1.00 0.00 O ATOM 0 H GLU A 59 -8.553 4.747 4.516 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.050 6.848 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.685 4.204 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.955 5.309 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.834 4.266 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.370 3.461 2.445 1.00 0.00 H new ATOM 956 N ASP A 60 -9.820 6.665 6.520 1.00 0.00 N ATOM 957 CA ASP A 60 -9.978 7.486 7.719 1.00 0.00 C ATOM 958 C ASP A 60 -9.726 8.957 7.367 1.00 0.00 C ATOM 959 O ASP A 60 -10.476 9.846 7.763 1.00 0.00 O ATOM 960 CB ASP A 60 -9.028 7.004 8.824 1.00 0.00 C ATOM 961 CG ASP A 60 -9.445 7.541 10.184 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.449 7.019 10.713 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.747 8.453 10.678 1.00 0.00 O ATOM 0 H ASP A 60 -9.231 5.843 6.656 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.996 7.390 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.018 5.914 8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.012 7.327 8.599 1.00 0.00 H new ATOM 968 N VAL A 61 -8.696 9.186 6.543 1.00 0.00 N ATOM 969 CA VAL A 61 -8.401 10.482 5.942 1.00 0.00 C ATOM 970 C VAL A 61 -9.116 10.679 4.596 1.00 0.00 C ATOM 971 O VAL A 61 -9.445 11.807 4.233 1.00 0.00 O ATOM 972 CB VAL A 61 -6.879 10.675 5.857 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.510 12.030 5.236 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.260 10.596 7.258 1.00 0.00 C ATOM 0 H VAL A 61 -8.034 8.458 6.273 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.801 11.267 6.584 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.489 9.880 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.425 12.128 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.919 12.092 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.923 12.834 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.181 10.734 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.685 11.377 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.473 9.621 7.696 1.00 0.00 H new ATOM 984 N GLY A 62 -9.322 9.620 3.812 1.00 0.00 N ATOM 985 CA GLY A 62 -10.018 9.688 2.530 1.00 0.00 C ATOM 986 C GLY A 62 -9.026 9.912 1.396 1.00 0.00 C ATOM 987 O GLY A 62 -9.082 9.224 0.378 1.00 0.00 O ATOM 0 H GLY A 62 -9.006 8.681 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.571 8.764 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.748 10.498 2.548 1.00 0.00 H new ATOM 991 N HIS A 63 -8.123 10.879 1.592 1.00 0.00 N ATOM 992 CA HIS A 63 -7.160 11.363 0.608 1.00 0.00 C ATOM 993 C HIS A 63 -7.846 12.073 -0.565 1.00 0.00 C ATOM 994 O HIS A 63 -9.033 11.895 -0.834 1.00 0.00 O ATOM 995 CB HIS A 63 -6.229 10.252 0.095 1.00 0.00 C ATOM 996 CG HIS A 63 -5.149 9.832 1.054 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.279 8.991 2.137 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.822 10.137 0.916 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.041 8.817 2.643 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.112 9.490 1.929 1.00 0.00 N ATOM 0 H HIS A 63 -8.043 11.366 2.485 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.541 12.092 1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.833 9.379 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.761 10.589 -0.830 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.144 8.580 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.396 10.771 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.820 8.214 3.511 1.00 0.00 H new ATOM 1008 N SER A 64 -7.075 12.895 -1.276 1.00 0.00 N ATOM 1009 CA SER A 64 -7.530 13.602 -2.460 1.00 0.00 C ATOM 1010 C SER A 64 -7.408 12.699 -3.687 1.00 0.00 C ATOM 1011 O SER A 64 -6.556 11.813 -3.740 1.00 0.00 O ATOM 1012 CB SER A 64 -6.684 14.866 -2.638 1.00 0.00 C ATOM 1013 OG SER A 64 -6.505 15.484 -1.376 1.00 0.00 O ATOM 0 H SER A 64 -6.102 13.088 -1.037 1.00 0.00 H new ATOM 0 HA SER A 64 -8.577 13.881 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.717 14.613 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.175 15.553 -3.327 1.00 0.00 H new ATOM 0 HG SER A 64 -5.963 16.293 -1.482 1.00 0.00 H new ATOM 1019 N THR A 65 -8.220 12.959 -4.711 1.00 0.00 N ATOM 1020 CA THR A 65 -8.199 12.224 -5.971 1.00 0.00 C ATOM 1021 C THR A 65 -6.796 12.197 -6.584 1.00 0.00 C ATOM 1022 O THR A 65 -6.363 11.170 -7.102 1.00 0.00 O ATOM 1023 CB THR A 65 -9.228 12.853 -6.916 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.453 12.971 -6.220 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.430 12.021 -8.186 1.00 0.00 C ATOM 0 H THR A 65 -8.922 13.699 -4.686 1.00 0.00 H new ATOM 0 HA THR A 65 -8.466 11.182 -5.793 1.00 0.00 H new ATOM 0 HB THR A 65 -8.861 13.830 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.126 13.374 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.168 12.506 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.484 11.939 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.782 11.025 -7.916 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.071 13.311 -6.470 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.681 13.421 -6.889 1.00 0.00 C ATOM 1035 C ASP A 66 -3.865 12.237 -6.351 1.00 0.00 C ATOM 1036 O ASP A 66 -3.102 11.590 -7.070 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.125 14.764 -6.376 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.249 15.480 -7.395 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -3.658 15.520 -8.574 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.210 16.018 -6.961 1.00 0.00 O ATOM 0 H ASP A 66 -6.444 14.175 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.611 13.394 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.957 15.413 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.546 14.588 -5.469 1.00 0.00 H new ATOM 1045 N ALA A 67 -4.085 11.910 -5.072 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.432 10.789 -4.426 1.00 0.00 C ATOM 1047 C ALA A 67 -3.825 9.478 -5.096 1.00 0.00 C ATOM 1048 O ALA A 67 -2.961 8.632 -5.277 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.755 10.745 -2.932 1.00 0.00 C ATOM 0 H ALA A 67 -4.724 12.422 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.356 10.924 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.251 9.893 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.413 11.665 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.832 10.645 -2.795 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.098 9.282 -5.467 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.537 8.064 -6.149 1.00 0.00 C ATOM 1057 C ARG A 68 -4.689 7.840 -7.403 1.00 0.00 C ATOM 1058 O ARG A 68 -4.131 6.758 -7.589 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.026 8.116 -6.528 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.981 8.218 -5.329 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.501 6.841 -4.869 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.788 6.942 -4.155 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.971 7.200 -4.740 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.022 7.437 -6.058 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.095 7.223 -4.013 1.00 0.00 N ATOM 0 H ARG A 68 -5.844 9.958 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.405 7.233 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.192 8.971 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.275 7.222 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.467 8.704 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.827 8.852 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.618 6.191 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.762 6.374 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.780 6.806 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.166 7.421 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.917 7.633 -6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.057 7.044 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.989 7.419 -4.463 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.568 8.859 -8.256 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.731 8.740 -9.441 1.00 0.00 C ATOM 1081 C GLU A 69 -2.269 8.495 -9.055 1.00 0.00 C ATOM 1082 O GLU A 69 -1.613 7.618 -9.619 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.892 9.954 -10.360 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.280 9.953 -11.014 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.321 10.890 -12.212 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.876 10.437 -13.288 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.797 12.030 -12.028 1.00 0.00 O ATOM 0 H GLU A 69 -5.033 9.761 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.065 7.871 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.754 10.871 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.121 9.939 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.536 8.942 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.030 10.258 -10.284 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.753 9.220 -8.061 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.386 8.998 -7.604 1.00 0.00 C ATOM 1096 C LEU A 70 -0.183 7.548 -7.134 1.00 0.00 C ATOM 1097 O LEU A 70 0.850 6.941 -7.409 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.013 10.024 -6.525 1.00 0.00 C ATOM 1099 CG LEU A 70 1.505 10.252 -6.466 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.972 11.179 -7.599 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.885 10.893 -5.127 1.00 0.00 C ATOM 0 H LEU A 70 -2.255 9.956 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 70 0.293 9.146 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.516 10.969 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.368 9.678 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 70 1.990 9.282 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.050 11.322 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.725 10.730 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.472 12.143 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.963 11.052 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.374 11.850 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.589 10.234 -4.311 1.00 0.00 H new ATOM 1113 N SER A 71 -1.187 6.958 -6.478 1.00 0.00 N ATOM 1114 CA SER A 71 -1.185 5.553 -6.098 1.00 0.00 C ATOM 1115 C SER A 71 -0.867 4.696 -7.321 1.00 0.00 C ATOM 1116 O SER A 71 -0.026 3.810 -7.252 1.00 0.00 O ATOM 1117 CB SER A 71 -2.529 5.112 -5.494 1.00 0.00 C ATOM 1118 OG SER A 71 -3.061 6.039 -4.575 1.00 0.00 O ATOM 0 H SER A 71 -2.032 7.454 -6.195 1.00 0.00 H new ATOM 0 HA SER A 71 -0.422 5.419 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.247 4.957 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.397 4.152 -4.995 1.00 0.00 H new ATOM 0 HG SER A 71 -3.235 6.889 -5.031 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.527 4.966 -8.449 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.311 4.229 -9.688 1.00 0.00 C ATOM 1126 C LYS A 72 0.177 4.182 -10.055 1.00 0.00 C ATOM 1127 O LYS A 72 0.698 3.119 -10.377 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.188 4.809 -10.810 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.211 3.798 -11.348 1.00 0.00 C ATOM 1130 CD LYS A 72 -2.604 2.902 -12.435 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.617 1.827 -12.865 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.338 1.304 -14.220 1.00 0.00 N ATOM 0 H LYS A 72 -2.227 5.704 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.617 3.193 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.714 5.688 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.550 5.143 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.577 3.179 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.071 4.331 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.317 3.506 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.697 2.428 -12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.597 1.005 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.622 2.247 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.046 0.583 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.382 2.082 -14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.389 0.879 -14.239 1.00 0.00 H new ATOM 1146 N THR A 73 0.881 5.310 -9.953 1.00 0.00 N ATOM 1147 CA THR A 73 2.320 5.372 -10.169 1.00 0.00 C ATOM 1148 C THR A 73 3.111 4.456 -9.213 1.00 0.00 C ATOM 1149 O THR A 73 4.197 4.005 -9.569 1.00 0.00 O ATOM 1150 CB THR A 73 2.744 6.849 -10.111 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.297 7.494 -11.287 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.249 7.044 -9.982 1.00 0.00 C ATOM 0 H THR A 73 0.463 6.210 -9.717 1.00 0.00 H new ATOM 0 HA THR A 73 2.564 4.976 -11.155 1.00 0.00 H new ATOM 0 HB THR A 73 2.292 7.278 -9.216 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.559 8.438 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.476 8.109 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.600 6.568 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.749 6.595 -10.840 1.00 0.00 H new ATOM 1160 N TYR A 74 2.583 4.157 -8.021 1.00 0.00 N ATOM 1161 CA TYR A 74 3.221 3.291 -7.030 1.00 0.00 C ATOM 1162 C TYR A 74 2.626 1.877 -7.017 1.00 0.00 C ATOM 1163 O TYR A 74 2.988 1.050 -6.175 1.00 0.00 O ATOM 1164 CB TYR A 74 3.074 3.937 -5.650 1.00 0.00 C ATOM 1165 CG TYR A 74 3.847 5.233 -5.466 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.235 5.277 -5.703 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.178 6.400 -5.054 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.926 6.502 -5.643 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.876 7.616 -4.967 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.238 7.680 -5.306 1.00 0.00 C ATOM 1171 OH TYR A 74 5.865 8.892 -5.334 1.00 0.00 O ATOM 0 H TYR A 74 1.680 4.520 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 74 4.273 3.185 -7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.017 4.132 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.403 3.224 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.771 4.368 -5.932 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.128 6.361 -4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.984 6.536 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.363 8.507 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 74 5.900 9.263 -4.428 1.00 0.00 H new ATOM 1181 N ILE A 75 1.695 1.593 -7.928 1.00 0.00 N ATOM 1182 CA ILE A 75 1.044 0.298 -8.020 1.00 0.00 C ATOM 1183 C ILE A 75 2.060 -0.709 -8.541 1.00 0.00 C ATOM 1184 O ILE A 75 2.682 -0.479 -9.576 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.229 0.412 -8.878 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.368 -0.438 -8.301 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.053 0.074 -10.367 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.706 0.024 -8.885 1.00 0.00 C ATOM 0 H ILE A 75 1.373 2.264 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 75 0.708 -0.057 -7.046 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.478 1.472 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.203 -1.490 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.385 -0.351 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.008 0.186 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.678 0.750 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.295 -0.954 -10.468 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.512 -0.583 -8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.872 1.071 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.687 -0.087 -9.969 1.00 0.00 H new ATOM 1200 N ILE A 76 2.248 -1.811 -7.818 1.00 0.00 N ATOM 1201 CA ILE A 76 3.133 -2.873 -8.272 1.00 0.00 C ATOM 1202 C ILE A 76 2.315 -4.039 -8.810 1.00 0.00 C ATOM 1203 O ILE A 76 2.714 -4.668 -9.788 1.00 0.00 O ATOM 1204 CB ILE A 76 4.120 -3.274 -7.166 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.429 -3.729 -5.868 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.058 -2.090 -6.899 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.377 -4.483 -4.940 1.00 0.00 C ATOM 0 H ILE A 76 1.800 -1.988 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 76 3.745 -2.511 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 76 4.684 -4.139 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.030 -2.858 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.581 -4.368 -6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.767 -2.357 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.601 -1.843 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.473 -1.227 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.842 -4.783 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.756 -5.369 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.211 -3.836 -4.669 1.00 0.00 H new ATOM 1219 N GLY A 77 1.183 -4.335 -8.171 1.00 0.00 N ATOM 1220 CA GLY A 77 0.414 -5.535 -8.420 1.00 0.00 C ATOM 1221 C GLY A 77 -0.966 -5.395 -7.810 1.00 0.00 C ATOM 1222 O GLY A 77 -1.356 -4.297 -7.405 1.00 0.00 O ATOM 0 H GLY A 77 0.776 -3.732 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.332 -5.709 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.924 -6.400 -7.995 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.686 -6.513 -7.720 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.049 -6.527 -7.230 1.00 0.00 C ATOM 1228 C GLU A 78 -3.262 -7.682 -6.259 1.00 0.00 C ATOM 1229 O GLU A 78 -2.374 -8.508 -6.043 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.061 -6.532 -8.383 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.608 -5.731 -9.614 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.724 -5.613 -10.642 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.697 -4.885 -10.336 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -4.591 -6.252 -11.708 1.00 0.00 O ATOM 0 H GLU A 78 -1.333 -7.432 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.223 -5.605 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.251 -7.563 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.007 -6.125 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.289 -4.735 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.744 -6.216 -10.067 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.442 -7.710 -5.643 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.779 -8.744 -4.686 1.00 0.00 C ATOM 1243 C LEU A 79 -5.087 -10.029 -5.455 1.00 0.00 C ATOM 1244 O LEU A 79 -5.844 -9.996 -6.426 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.957 -8.283 -3.812 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.531 -7.555 -2.522 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.764 -8.503 -1.592 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.727 -6.263 -2.738 1.00 0.00 C ATOM 0 H LEU A 79 -5.179 -7.022 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.946 -8.940 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.594 -7.620 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.560 -9.151 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.466 -7.242 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.473 -7.969 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.401 -9.346 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.872 -8.869 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.475 -5.826 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.811 -6.491 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.324 -5.555 -3.312 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.468 -11.145 -5.058 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.591 -12.405 -5.778 1.00 0.00 C ATOM 1262 C HIS A 80 -6.067 -12.795 -5.966 1.00 0.00 C ATOM 1263 O HIS A 80 -6.845 -12.712 -5.012 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.816 -13.496 -5.034 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.409 -14.656 -5.897 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.031 -15.874 -5.950 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.291 -14.735 -6.683 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.332 -16.662 -6.776 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.257 -16.011 -7.255 1.00 0.00 N ATOM 0 H HIS A 80 -3.872 -11.195 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.163 -12.288 -6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.923 -13.055 -4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.429 -13.866 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.564 -13.951 -6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.595 -17.680 -7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.559 -16.374 -7.904 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.467 -13.216 -7.179 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.864 -13.450 -7.511 1.00 0.00 C ATOM 1279 C PRO A 81 -8.548 -14.454 -6.575 1.00 0.00 C ATOM 1280 O PRO A 81 -9.748 -14.335 -6.323 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.908 -13.841 -8.992 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.460 -14.186 -9.348 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.627 -13.386 -8.353 1.00 0.00 C ATOM 0 HA PRO A 81 -8.451 -12.545 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.569 -14.691 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.282 -13.022 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.272 -15.256 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.226 -13.909 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.706 -13.912 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.339 -12.421 -8.771 1.00 0.00 H new