USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 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= 1.2 K(o=-0.64,f=-5.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.84 K(o=-0.64,f=-3.5!) USER MOD Set 2.1: A 30 TYR OH : rot -65:sc= 1.16 USER MOD Set 2.2: A 71 SER OG : rot -49:sc= 2.16 USER MOD Set 3.1: A 15 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=-0.3) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.798) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 1.08 (180deg=0.452) USER MOD Single : A 21 THR OG1 : rot 140:sc= -0.191 USER MOD Single : A 26 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.00042) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.05 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0974 K(o=-0.097,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00243 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.822) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 144:sc= 0.0783 USER MOD Single : A 80 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.796 -8.114 -11.068 1.00 0.00 N ATOM 66 CA LYS A 5 1.612 -8.823 -10.094 1.00 0.00 C ATOM 67 C LYS A 5 0.722 -9.266 -8.934 1.00 0.00 C ATOM 68 O LYS A 5 0.887 -8.849 -7.794 1.00 0.00 O ATOM 69 CB LYS A 5 2.831 -7.963 -9.724 1.00 0.00 C ATOM 70 CG LYS A 5 4.154 -8.739 -9.645 1.00 0.00 C ATOM 71 CD LYS A 5 5.339 -7.766 -9.500 1.00 0.00 C ATOM 72 CE LYS A 5 5.673 -7.041 -10.817 1.00 0.00 C ATOM 73 NZ LYS A 5 6.690 -5.985 -10.636 1.00 0.00 N ATOM 0 HA LYS A 5 2.038 -9.743 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.935 -7.166 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.645 -7.486 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.131 -9.424 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.281 -9.346 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.107 -7.028 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.216 -8.316 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.032 -7.766 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.764 -6.600 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.881 -5.526 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.339 -5.277 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.567 -6.407 -10.271 1.00 0.00 H new ATOM 87 N TYR A 6 -0.285 -10.077 -9.261 1.00 0.00 N ATOM 88 CA TYR A 6 -1.234 -10.612 -8.299 1.00 0.00 C ATOM 89 C TYR A 6 -0.505 -11.260 -7.117 1.00 0.00 C ATOM 90 O TYR A 6 0.120 -12.301 -7.300 1.00 0.00 O ATOM 91 CB TYR A 6 -2.131 -11.628 -9.015 1.00 0.00 C ATOM 92 CG TYR A 6 -3.202 -11.007 -9.890 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.272 -10.331 -9.281 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.178 -11.159 -11.288 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.345 -9.859 -10.053 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.234 -10.652 -12.067 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.323 -10.012 -11.447 1.00 0.00 C ATOM 98 OH TYR A 6 -6.367 -9.569 -12.202 1.00 0.00 O ATOM 0 H TYR A 6 -0.462 -10.382 -10.218 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.846 -9.805 -7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.507 -12.276 -9.630 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.610 -12.261 -8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.269 -10.173 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.350 -11.664 -11.763 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.186 -9.379 -9.575 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.209 -10.754 -13.142 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.188 -9.753 -13.148 1.00 0.00 H new ATOM 108 N TYR A 7 -0.586 -10.660 -5.924 1.00 0.00 N ATOM 109 CA TYR A 7 0.101 -11.154 -4.734 1.00 0.00 C ATOM 110 C TYR A 7 -0.908 -11.707 -3.735 1.00 0.00 C ATOM 111 O TYR A 7 -2.023 -11.197 -3.621 1.00 0.00 O ATOM 112 CB TYR A 7 0.945 -10.044 -4.097 1.00 0.00 C ATOM 113 CG TYR A 7 2.236 -9.739 -4.827 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.256 -10.707 -4.850 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.465 -8.469 -5.388 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.483 -10.425 -5.467 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.686 -8.195 -6.029 1.00 0.00 C ATOM 118 CZ TYR A 7 4.690 -9.175 -6.073 1.00 0.00 C ATOM 119 OH TYR A 7 5.900 -8.885 -6.630 1.00 0.00 O ATOM 0 H TYR A 7 -1.133 -9.815 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 7 0.772 -11.960 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.347 -9.134 -4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.181 -10.328 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.094 -11.671 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.704 -7.706 -5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.267 -11.167 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.851 -7.231 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 7 6.316 -9.710 -6.956 1.00 0.00 H new ATOM 129 N THR A 8 -0.530 -12.769 -3.022 1.00 0.00 N ATOM 130 CA THR A 8 -1.381 -13.426 -2.049 1.00 0.00 C ATOM 131 C THR A 8 -1.303 -12.688 -0.714 1.00 0.00 C ATOM 132 O THR A 8 -0.317 -12.014 -0.419 1.00 0.00 O ATOM 133 CB THR A 8 -0.903 -14.878 -1.896 1.00 0.00 C ATOM 134 OG1 THR A 8 0.476 -14.867 -1.590 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.108 -15.681 -3.184 1.00 0.00 C ATOM 0 H THR A 8 0.391 -13.198 -3.111 1.00 0.00 H new ATOM 0 HA THR A 8 -2.419 -13.416 -2.380 1.00 0.00 H new ATOM 0 HB THR A 8 -1.485 -15.348 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.796 -15.788 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.758 -16.702 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.167 -15.694 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.545 -15.219 -3.995 1.00 0.00 H new ATOM 143 N LEU A 9 -2.344 -12.830 0.108 1.00 0.00 N ATOM 144 CA LEU A 9 -2.467 -12.138 1.378 1.00 0.00 C ATOM 145 C LEU A 9 -1.215 -12.375 2.225 1.00 0.00 C ATOM 146 O LEU A 9 -0.575 -11.427 2.673 1.00 0.00 O ATOM 147 CB LEU A 9 -3.733 -12.620 2.102 1.00 0.00 C ATOM 148 CG LEU A 9 -5.073 -12.128 1.520 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.246 -10.610 1.627 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.322 -12.547 0.069 1.00 0.00 C ATOM 0 H LEU A 9 -3.134 -13.440 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.556 -11.065 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.737 -13.710 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.674 -12.304 3.144 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.814 -12.625 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.207 -10.322 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.210 -10.313 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.444 -10.113 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.286 -12.160 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.532 -12.145 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.325 -13.635 -0.000 1.00 0.00 H new ATOM 162 N GLU A 10 -0.850 -13.646 2.418 1.00 0.00 N ATOM 163 CA GLU A 10 0.282 -14.021 3.253 1.00 0.00 C ATOM 164 C GLU A 10 1.582 -13.378 2.747 1.00 0.00 C ATOM 165 O GLU A 10 2.338 -12.814 3.537 1.00 0.00 O ATOM 166 CB GLU A 10 0.352 -15.553 3.363 1.00 0.00 C ATOM 167 CG GLU A 10 1.092 -16.014 4.631 1.00 0.00 C ATOM 168 CD GLU A 10 2.501 -16.530 4.395 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.088 -16.228 3.340 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.023 -17.164 5.340 1.00 0.00 O ATOM 0 H GLU A 10 -1.334 -14.439 1.998 1.00 0.00 H new ATOM 0 HA GLU A 10 0.143 -13.632 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.659 -15.961 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.856 -15.956 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.138 -15.180 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.508 -16.800 5.110 1.00 0.00 H new ATOM 177 N GLU A 11 1.807 -13.393 1.426 1.00 0.00 N ATOM 178 CA GLU A 11 2.959 -12.744 0.814 1.00 0.00 C ATOM 179 C GLU A 11 2.942 -11.245 1.127 1.00 0.00 C ATOM 180 O GLU A 11 3.909 -10.684 1.637 1.00 0.00 O ATOM 181 CB GLU A 11 2.971 -13.012 -0.696 1.00 0.00 C ATOM 182 CG GLU A 11 4.224 -12.429 -1.370 1.00 0.00 C ATOM 183 CD GLU A 11 4.977 -13.480 -2.175 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.521 -14.399 -1.525 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.986 -13.348 -3.417 1.00 0.00 O ATOM 0 H GLU A 11 1.192 -13.857 0.758 1.00 0.00 H new ATOM 0 HA GLU A 11 3.877 -13.159 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.929 -14.086 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.080 -12.578 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.935 -11.608 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.884 -12.012 -0.610 1.00 0.00 H new ATOM 192 N ILE A 12 1.820 -10.579 0.871 1.00 0.00 N ATOM 193 CA ILE A 12 1.687 -9.161 1.180 1.00 0.00 C ATOM 194 C ILE A 12 1.994 -8.929 2.675 1.00 0.00 C ATOM 195 O ILE A 12 2.664 -7.959 3.026 1.00 0.00 O ATOM 196 CB ILE A 12 0.294 -8.679 0.738 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.099 -8.894 -0.778 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.078 -7.196 1.056 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.374 -8.962 -1.188 1.00 0.00 C ATOM 0 H ILE A 12 0.991 -10.999 0.451 1.00 0.00 H new ATOM 0 HA ILE A 12 2.411 -8.561 0.628 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.435 -9.268 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.584 -8.082 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.596 -9.817 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.917 -6.895 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.170 -7.037 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.827 -6.599 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.445 -9.114 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.858 -9.791 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.870 -8.029 -0.920 1.00 0.00 H new ATOM 211 N GLN A 13 1.572 -9.848 3.550 1.00 0.00 N ATOM 212 CA GLN A 13 1.815 -9.790 4.987 1.00 0.00 C ATOM 213 C GLN A 13 3.264 -10.147 5.375 1.00 0.00 C ATOM 214 O GLN A 13 3.667 -9.979 6.533 1.00 0.00 O ATOM 215 CB GLN A 13 0.798 -10.685 5.721 1.00 0.00 C ATOM 216 CG GLN A 13 -0.072 -9.909 6.723 1.00 0.00 C ATOM 217 CD GLN A 13 -0.376 -10.746 7.960 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.121 -11.717 7.902 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.214 -10.382 9.097 1.00 0.00 N ATOM 0 H GLN A 13 1.040 -10.671 3.267 1.00 0.00 H new ATOM 0 HA GLN A 13 1.678 -8.755 5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.153 -11.170 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.332 -11.476 6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.440 -8.993 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.005 -9.613 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.829 -9.569 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.051 -10.916 9.950 1.00 0.00 H new ATOM 228 N LYS A 14 4.069 -10.640 4.432 1.00 0.00 N ATOM 229 CA LYS A 14 5.495 -10.835 4.631 1.00 0.00 C ATOM 230 C LYS A 14 6.180 -9.470 4.490 1.00 0.00 C ATOM 231 O LYS A 14 6.958 -9.080 5.360 1.00 0.00 O ATOM 232 CB LYS A 14 6.051 -11.867 3.629 1.00 0.00 C ATOM 233 CG LYS A 14 6.496 -13.200 4.242 1.00 0.00 C ATOM 234 CD LYS A 14 5.338 -14.161 4.557 1.00 0.00 C ATOM 235 CE LYS A 14 5.900 -15.583 4.760 1.00 0.00 C ATOM 236 NZ LYS A 14 5.379 -16.250 5.966 1.00 0.00 N ATOM 0 H LYS A 14 3.742 -10.915 3.506 1.00 0.00 H new ATOM 0 HA LYS A 14 5.692 -11.237 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.287 -12.068 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.900 -11.423 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.186 -13.691 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.048 -13.000 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.812 -13.834 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.614 -14.156 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.660 -16.189 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.987 -15.531 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.094 -16.910 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.161 -15.536 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.514 -16.775 5.726 1.00 0.00 H new ATOM 250 N HIS A 15 5.871 -8.740 3.410 1.00 0.00 N ATOM 251 CA HIS A 15 6.483 -7.455 3.070 1.00 0.00 C ATOM 252 C HIS A 15 5.982 -6.317 3.978 1.00 0.00 C ATOM 253 O HIS A 15 5.315 -5.381 3.534 1.00 0.00 O ATOM 254 CB HIS A 15 6.234 -7.149 1.588 1.00 0.00 C ATOM 255 CG HIS A 15 7.011 -8.020 0.633 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.072 -7.613 -0.145 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.776 -9.341 0.354 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.465 -8.673 -0.875 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.712 -9.749 -0.600 1.00 0.00 N ATOM 0 H HIS A 15 5.169 -9.038 2.732 1.00 0.00 H new ATOM 0 HA HIS A 15 7.557 -7.527 3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.170 -7.262 1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.487 -6.106 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.005 -9.957 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.277 -8.659 -1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.804 -10.680 -1.007 1.00 0.00 H new ATOM 267 N LYS A 16 6.335 -6.400 5.263 1.00 0.00 N ATOM 268 CA LYS A 16 6.040 -5.400 6.288 1.00 0.00 C ATOM 269 C LYS A 16 7.324 -4.973 7.008 1.00 0.00 C ATOM 270 O LYS A 16 7.548 -3.788 7.260 1.00 0.00 O ATOM 271 CB LYS A 16 4.978 -5.942 7.262 1.00 0.00 C ATOM 272 CG LYS A 16 5.466 -7.141 8.080 1.00 0.00 C ATOM 273 CD LYS A 16 4.329 -7.794 8.869 1.00 0.00 C ATOM 274 CE LYS A 16 4.832 -9.055 9.585 1.00 0.00 C ATOM 275 NZ LYS A 16 5.460 -9.997 8.638 1.00 0.00 N ATOM 0 H LYS A 16 6.854 -7.197 5.631 1.00 0.00 H new ATOM 0 HA LYS A 16 5.628 -4.508 5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.677 -5.145 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.091 -6.232 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.915 -7.877 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.247 -6.817 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.931 -7.088 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.511 -8.052 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.552 -8.776 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.000 -9.545 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.390 -10.964 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.972 -9.945 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.461 -9.746 8.511 1.00 0.00 H new ATOM 334 N SER A 20 11.027 -2.423 3.288 1.00 0.00 N ATOM 335 CA SER A 20 10.196 -2.896 2.184 1.00 0.00 C ATOM 336 C SER A 20 8.713 -2.807 2.565 1.00 0.00 C ATOM 337 O SER A 20 8.030 -3.817 2.723 1.00 0.00 O ATOM 338 CB SER A 20 10.628 -4.319 1.785 1.00 0.00 C ATOM 339 OG SER A 20 10.143 -4.673 0.500 1.00 0.00 O ATOM 0 HA SER A 20 10.334 -2.260 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.716 -4.385 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.259 -5.032 2.522 1.00 0.00 H new ATOM 0 HG SER A 20 10.437 -5.581 0.278 1.00 0.00 H new ATOM 345 N THR A 21 8.228 -1.582 2.756 1.00 0.00 N ATOM 346 CA THR A 21 6.895 -1.286 3.216 1.00 0.00 C ATOM 347 C THR A 21 5.913 -1.322 2.052 1.00 0.00 C ATOM 348 O THR A 21 5.854 -0.404 1.232 1.00 0.00 O ATOM 349 CB THR A 21 6.940 0.076 3.903 1.00 0.00 C ATOM 350 OG1 THR A 21 7.773 -0.055 5.038 1.00 0.00 O ATOM 351 CG2 THR A 21 5.541 0.540 4.301 1.00 0.00 C ATOM 0 H THR A 21 8.783 -0.744 2.585 1.00 0.00 H new ATOM 0 HA THR A 21 6.546 -2.033 3.929 1.00 0.00 H new ATOM 0 HB THR A 21 7.335 0.831 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.331 0.746 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.605 1.513 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.917 0.620 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.100 -0.182 4.989 1.00 0.00 H new ATOM 359 N TRP A 22 5.129 -2.395 2.007 1.00 0.00 N ATOM 360 CA TRP A 22 4.005 -2.526 1.104 1.00 0.00 C ATOM 361 C TRP A 22 2.737 -2.152 1.856 1.00 0.00 C ATOM 362 O TRP A 22 2.731 -2.152 3.085 1.00 0.00 O ATOM 363 CB TRP A 22 3.944 -3.964 0.623 1.00 0.00 C ATOM 364 CG TRP A 22 5.047 -4.376 -0.300 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.262 -3.798 -0.464 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.011 -5.482 -1.230 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.967 -4.470 -1.436 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.241 -5.525 -1.946 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.038 -6.447 -1.540 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.497 -6.493 -2.923 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.293 -7.446 -2.493 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.527 -7.478 -3.172 1.00 0.00 C ATOM 0 H TRP A 22 5.264 -3.207 2.609 1.00 0.00 H new ATOM 0 HA TRP A 22 4.110 -1.868 0.241 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.955 -4.621 1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.991 -4.121 0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.622 -2.940 0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.908 -4.219 -1.741 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.082 -6.420 -1.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.424 -6.483 -3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.541 -8.192 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.728 -8.263 -3.886 1.00 0.00 H new ATOM 383 N VAL A 23 1.662 -1.862 1.130 1.00 0.00 N ATOM 384 CA VAL A 23 0.335 -1.654 1.688 1.00 0.00 C ATOM 385 C VAL A 23 -0.661 -1.963 0.577 1.00 0.00 C ATOM 386 O VAL A 23 -0.354 -1.733 -0.598 1.00 0.00 O ATOM 387 CB VAL A 23 0.146 -0.213 2.199 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.689 0.040 3.608 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.807 0.820 1.292 1.00 0.00 C ATOM 0 H VAL A 23 1.692 -1.763 0.115 1.00 0.00 H new ATOM 0 HA VAL A 23 0.185 -2.304 2.550 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.938 -0.102 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.513 1.079 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.182 -0.615 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.760 -0.164 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.644 1.818 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.877 0.622 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.373 0.759 0.294 1.00 0.00 H new ATOM 399 N ILE A 24 -1.834 -2.493 0.941 1.00 0.00 N ATOM 400 CA ILE A 24 -2.907 -2.732 -0.002 1.00 0.00 C ATOM 401 C ILE A 24 -4.052 -1.781 0.313 1.00 0.00 C ATOM 402 O ILE A 24 -4.522 -1.719 1.453 1.00 0.00 O ATOM 403 CB ILE A 24 -3.294 -4.212 -0.070 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.048 -4.722 1.151 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.029 -5.039 -0.248 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.564 -4.702 0.924 1.00 0.00 C ATOM 0 H ILE A 24 -2.056 -2.764 1.899 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.577 -2.512 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.976 -4.314 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.727 -5.738 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.800 -4.107 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.290 -6.096 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.529 -4.745 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.362 -4.869 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.070 -5.072 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.888 -3.681 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.813 -5.338 0.075 1.00 0.00 H new ATOM 418 N LEU A 25 -4.442 -0.993 -0.687 1.00 0.00 N ATOM 419 CA LEU A 25 -5.461 0.031 -0.553 1.00 0.00 C ATOM 420 C LEU A 25 -6.457 -0.240 -1.678 1.00 0.00 C ATOM 421 O LEU A 25 -6.049 -0.299 -2.834 1.00 0.00 O ATOM 422 CB LEU A 25 -4.854 1.445 -0.621 1.00 0.00 C ATOM 423 CG LEU A 25 -3.427 1.584 -0.054 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.854 2.937 -0.452 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.336 1.510 1.464 1.00 0.00 C ATOM 0 H LEU A 25 -4.049 -1.054 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.955 -0.008 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.845 1.768 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.509 2.129 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.876 0.740 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.845 3.037 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.822 3.013 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.484 3.731 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.296 1.617 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.929 2.312 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.718 0.548 1.805 1.00 0.00 H new ATOM 437 N HIS A 26 -7.735 -0.478 -1.373 1.00 0.00 N ATOM 438 CA HIS A 26 -8.752 -0.738 -2.399 1.00 0.00 C ATOM 439 C HIS A 26 -8.350 -1.885 -3.339 1.00 0.00 C ATOM 440 O HIS A 26 -8.400 -1.736 -4.562 1.00 0.00 O ATOM 441 CB HIS A 26 -9.053 0.539 -3.205 1.00 0.00 C ATOM 442 CG HIS A 26 -9.612 1.653 -2.369 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.944 1.854 -2.088 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.890 2.603 -1.702 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.019 2.904 -1.254 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.796 3.404 -1.012 1.00 0.00 N ATOM 0 H HIS A 26 -8.093 -0.496 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.658 -1.048 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.137 0.880 -3.686 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.760 0.300 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.816 2.712 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.936 3.293 -0.836 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.574 4.215 -0.434 1.00 0.00 H new ATOM 454 N HIS A 27 -7.966 -3.030 -2.763 1.00 0.00 N ATOM 455 CA HIS A 27 -7.598 -4.236 -3.506 1.00 0.00 C ATOM 456 C HIS A 27 -6.472 -3.979 -4.506 1.00 0.00 C ATOM 457 O HIS A 27 -6.440 -4.600 -5.559 1.00 0.00 O ATOM 458 CB HIS A 27 -8.833 -4.856 -4.180 1.00 0.00 C ATOM 459 CG HIS A 27 -9.974 -5.103 -3.227 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.903 -5.788 -2.034 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.252 -4.633 -3.362 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.120 -5.726 -1.464 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.973 -5.029 -2.233 1.00 0.00 N ATOM 0 H HIS A 27 -7.902 -3.144 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.209 -4.958 -2.788 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.172 -4.195 -4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.548 -5.799 -4.646 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.635 -4.059 -4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.377 -6.176 -0.516 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.953 -4.829 -2.032 1.00 0.00 H new ATOM 471 N LYS A 28 -5.549 -3.062 -4.204 1.00 0.00 N ATOM 472 CA LYS A 28 -4.429 -2.739 -5.074 1.00 0.00 C ATOM 473 C LYS A 28 -3.187 -2.652 -4.203 1.00 0.00 C ATOM 474 O LYS A 28 -3.207 -1.947 -3.193 1.00 0.00 O ATOM 475 CB LYS A 28 -4.707 -1.422 -5.804 1.00 0.00 C ATOM 476 CG LYS A 28 -5.795 -1.633 -6.862 1.00 0.00 C ATOM 477 CD LYS A 28 -6.451 -0.313 -7.268 1.00 0.00 C ATOM 478 CE LYS A 28 -7.712 -0.636 -8.084 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.673 0.480 -8.080 1.00 0.00 N ATOM 0 H LYS A 28 -5.564 -2.521 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.282 -3.503 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.023 -0.661 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.794 -1.058 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.361 -2.109 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.554 -2.312 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.709 0.271 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.760 0.289 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.430 -0.868 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.189 -1.527 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.509 0.220 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.963 0.685 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.227 1.324 -8.493 1.00 0.00 H new ATOM 493 N VAL A 29 -2.144 -3.406 -4.569 1.00 0.00 N ATOM 494 CA VAL A 29 -0.906 -3.475 -3.811 1.00 0.00 C ATOM 495 C VAL A 29 0.028 -2.388 -4.328 1.00 0.00 C ATOM 496 O VAL A 29 0.360 -2.370 -5.519 1.00 0.00 O ATOM 497 CB VAL A 29 -0.273 -4.878 -3.900 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.881 -4.998 -2.893 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.299 -5.987 -3.634 1.00 0.00 C ATOM 0 H VAL A 29 -2.143 -3.987 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.104 -3.303 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 29 0.103 -5.003 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.323 -5.992 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.639 -4.248 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.501 -4.839 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.811 -6.959 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.717 -5.864 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.099 -5.927 -4.372 1.00 0.00 H new ATOM 509 N TYR A 30 0.431 -1.485 -3.432 1.00 0.00 N ATOM 510 CA TYR A 30 1.301 -0.364 -3.740 1.00 0.00 C ATOM 511 C TYR A 30 2.627 -0.554 -3.008 1.00 0.00 C ATOM 512 O TYR A 30 2.623 -0.864 -1.814 1.00 0.00 O ATOM 513 CB TYR A 30 0.599 0.935 -3.331 1.00 0.00 C ATOM 514 CG TYR A 30 -0.726 1.143 -4.040 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.737 1.497 -5.395 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.943 0.901 -3.384 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.954 1.675 -6.073 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.160 1.151 -4.044 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.165 1.557 -5.384 1.00 0.00 C ATOM 520 OH TYR A 30 -4.316 2.000 -5.961 1.00 0.00 O ATOM 0 H TYR A 30 0.151 -1.520 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 30 1.511 -0.310 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.431 0.927 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.255 1.779 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.196 1.634 -5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.945 0.523 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.955 1.903 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.094 1.029 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.274 2.973 -6.069 1.00 0.00 H new ATOM 530 N ASP A 31 3.747 -0.383 -3.723 1.00 0.00 N ATOM 531 CA ASP A 31 5.072 -0.388 -3.110 1.00 0.00 C ATOM 532 C ASP A 31 5.429 1.045 -2.761 1.00 0.00 C ATOM 533 O ASP A 31 5.526 1.892 -3.648 1.00 0.00 O ATOM 534 CB ASP A 31 6.141 -0.963 -4.041 1.00 0.00 C ATOM 535 CG ASP A 31 7.551 -0.769 -3.489 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.673 -0.492 -2.275 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.502 -0.904 -4.286 1.00 0.00 O ATOM 0 H ASP A 31 3.756 -0.239 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 31 5.043 -1.022 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.955 -2.026 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.066 -0.484 -5.017 1.00 0.00 H new ATOM 542 N LEU A 32 5.620 1.308 -1.472 1.00 0.00 N ATOM 543 CA LEU A 32 5.933 2.627 -0.973 1.00 0.00 C ATOM 544 C LEU A 32 7.322 2.643 -0.324 1.00 0.00 C ATOM 545 O LEU A 32 7.640 3.570 0.420 1.00 0.00 O ATOM 546 CB LEU A 32 4.816 3.010 -0.007 1.00 0.00 C ATOM 547 CG LEU A 32 3.416 2.889 -0.635 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.425 3.405 0.390 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.205 3.677 -1.939 1.00 0.00 C ATOM 0 H LEU A 32 5.559 0.598 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 32 5.981 3.363 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.870 2.372 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.970 4.035 0.331 1.00 0.00 H new ATOM 0 HG LEU A 32 3.282 1.840 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.415 3.338 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.494 2.804 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.653 4.445 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.187 3.523 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.367 4.739 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.911 3.329 -2.693 1.00 0.00 H new ATOM 561 N THR A 33 8.175 1.661 -0.639 1.00 0.00 N ATOM 562 CA THR A 33 9.527 1.552 -0.102 1.00 0.00 C ATOM 563 C THR A 33 10.306 2.860 -0.263 1.00 0.00 C ATOM 564 O THR A 33 10.854 3.378 0.704 1.00 0.00 O ATOM 565 CB THR A 33 10.232 0.360 -0.769 1.00 0.00 C ATOM 566 OG1 THR A 33 9.519 -0.820 -0.475 1.00 0.00 O ATOM 567 CG2 THR A 33 11.670 0.168 -0.286 1.00 0.00 C ATOM 0 H THR A 33 7.936 0.909 -1.286 1.00 0.00 H new ATOM 0 HA THR A 33 9.479 1.370 0.972 1.00 0.00 H new ATOM 0 HB THR A 33 10.259 0.569 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.842 -0.974 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.113 -0.689 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.251 1.063 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.672 -0.007 0.790 1.00 0.00 H new ATOM 575 N LYS A 34 10.344 3.419 -1.477 1.00 0.00 N ATOM 576 CA LYS A 34 11.010 4.692 -1.722 1.00 0.00 C ATOM 577 C LYS A 34 10.052 5.877 -1.585 1.00 0.00 C ATOM 578 O LYS A 34 10.338 6.952 -2.103 1.00 0.00 O ATOM 579 CB LYS A 34 11.650 4.673 -3.111 1.00 0.00 C ATOM 580 CG LYS A 34 12.742 3.604 -3.223 1.00 0.00 C ATOM 581 CD LYS A 34 13.864 4.171 -4.104 1.00 0.00 C ATOM 582 CE LYS A 34 14.890 3.101 -4.488 1.00 0.00 C ATOM 583 NZ LYS A 34 16.005 3.678 -5.267 1.00 0.00 N ATOM 0 H LYS A 34 9.918 3.004 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 34 11.783 4.822 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.882 4.487 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.077 5.652 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.125 3.344 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.339 2.690 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.433 4.600 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.366 4.981 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.280 2.629 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.402 2.320 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.682 2.928 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.634 4.107 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.485 4.406 -4.700 1.00 0.00 H new ATOM 597 N PHE A 35 8.923 5.692 -0.900 1.00 0.00 N ATOM 598 CA PHE A 35 7.930 6.735 -0.709 1.00 0.00 C ATOM 599 C PHE A 35 7.853 7.151 0.755 1.00 0.00 C ATOM 600 O PHE A 35 7.160 8.105 1.074 1.00 0.00 O ATOM 601 CB PHE A 35 6.576 6.230 -1.197 1.00 0.00 C ATOM 602 CG PHE A 35 5.496 7.286 -1.359 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.746 8.482 -2.062 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.232 7.072 -0.783 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.746 9.463 -2.166 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.225 8.036 -0.912 1.00 0.00 C ATOM 607 CZ PHE A 35 3.489 9.245 -1.576 1.00 0.00 C ATOM 0 H PHE A 35 8.676 4.805 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 35 8.218 7.614 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.719 5.733 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.217 5.475 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.709 8.645 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.037 6.160 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.942 10.382 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.244 7.850 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.726 10.007 -1.633 1.00 0.00 H new ATOM 617 N LEU A 36 8.552 6.442 1.643 1.00 0.00 N ATOM 618 CA LEU A 36 8.511 6.686 3.072 1.00 0.00 C ATOM 619 C LEU A 36 8.710 8.180 3.390 1.00 0.00 C ATOM 620 O LEU A 36 7.783 8.828 3.869 1.00 0.00 O ATOM 621 CB LEU A 36 9.530 5.756 3.745 1.00 0.00 C ATOM 622 CG LEU A 36 9.145 4.262 3.747 1.00 0.00 C ATOM 623 CD1 LEU A 36 10.088 3.491 4.682 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.689 3.985 4.146 1.00 0.00 C ATOM 0 H LEU A 36 9.168 5.674 1.379 1.00 0.00 H new ATOM 0 HA LEU A 36 7.528 6.452 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.490 5.868 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.671 6.081 4.776 1.00 0.00 H new ATOM 0 HG LEU A 36 9.246 3.922 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.816 2.435 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.115 3.601 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.003 3.889 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.503 2.911 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.510 4.361 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.019 4.486 3.447 1.00 0.00 H new ATOM 636 N GLU A 37 9.874 8.758 3.078 1.00 0.00 N ATOM 637 CA GLU A 37 10.076 10.192 3.260 1.00 0.00 C ATOM 638 C GLU A 37 9.249 11.009 2.258 1.00 0.00 C ATOM 639 O GLU A 37 8.642 12.011 2.627 1.00 0.00 O ATOM 640 CB GLU A 37 11.568 10.550 3.146 1.00 0.00 C ATOM 641 CG GLU A 37 12.217 10.771 4.519 1.00 0.00 C ATOM 642 CD GLU A 37 12.525 9.457 5.219 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.388 8.729 4.682 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.895 9.207 6.268 1.00 0.00 O ATOM 0 H GLU A 37 10.680 8.259 2.703 1.00 0.00 H new ATOM 0 HA GLU A 37 9.732 10.448 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.093 9.751 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.679 11.452 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.137 11.342 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.552 11.368 5.143 1.00 0.00 H new ATOM 651 N GLU A 38 9.276 10.615 0.980 1.00 0.00 N ATOM 652 CA GLU A 38 8.658 11.360 -0.116 1.00 0.00 C ATOM 653 C GLU A 38 7.175 11.670 0.144 1.00 0.00 C ATOM 654 O GLU A 38 6.694 12.734 -0.239 1.00 0.00 O ATOM 655 CB GLU A 38 8.852 10.583 -1.430 1.00 0.00 C ATOM 656 CG GLU A 38 9.930 11.172 -2.354 1.00 0.00 C ATOM 657 CD GLU A 38 9.323 12.044 -3.448 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.482 11.497 -4.195 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.717 13.226 -3.524 1.00 0.00 O ATOM 0 H GLU A 38 9.735 9.756 0.676 1.00 0.00 H new ATOM 0 HA GLU A 38 9.153 12.328 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.115 9.552 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.904 10.556 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.630 11.763 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.501 10.362 -2.809 1.00 0.00 H new ATOM 666 N HIS A 39 6.445 10.743 0.769 1.00 0.00 N ATOM 667 CA HIS A 39 5.035 10.886 1.102 1.00 0.00 C ATOM 668 C HIS A 39 4.780 12.212 1.824 1.00 0.00 C ATOM 669 O HIS A 39 5.220 12.360 2.967 1.00 0.00 O ATOM 670 CB HIS A 39 4.598 9.690 1.958 1.00 0.00 C ATOM 671 CG HIS A 39 3.182 9.741 2.487 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.836 9.551 3.800 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.017 9.801 1.768 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.499 9.495 3.871 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.946 9.629 2.653 1.00 0.00 N ATOM 0 H HIS A 39 6.835 9.848 1.064 1.00 0.00 H new ATOM 0 HA HIS A 39 4.444 10.899 0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.712 8.782 1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.279 9.605 2.805 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.482 9.467 4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.939 9.955 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.940 9.360 4.785 1.00 0.00 H new ATOM 683 N PRO A 40 4.056 13.163 1.199 1.00 0.00 N ATOM 684 CA PRO A 40 3.750 14.453 1.797 1.00 0.00 C ATOM 685 C PRO A 40 2.744 14.237 2.928 1.00 0.00 C ATOM 686 O PRO A 40 1.544 14.444 2.769 1.00 0.00 O ATOM 687 CB PRO A 40 3.212 15.331 0.664 1.00 0.00 C ATOM 688 CG PRO A 40 2.653 14.335 -0.346 1.00 0.00 C ATOM 689 CD PRO A 40 3.456 13.056 -0.124 1.00 0.00 C ATOM 0 HA PRO A 40 4.615 14.945 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.440 16.013 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.000 15.943 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.588 14.166 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.767 14.701 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.812 12.179 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.224 12.943 -0.889 1.00 0.00 H new ATOM 697 N GLY A 41 3.264 13.768 4.058 1.00 0.00 N ATOM 698 CA GLY A 41 2.492 13.278 5.180 1.00 0.00 C ATOM 699 C GLY A 41 3.404 12.559 6.172 1.00 0.00 C ATOM 700 O GLY A 41 3.200 12.687 7.377 1.00 0.00 O ATOM 0 H GLY A 41 4.270 13.720 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.987 14.108 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.717 12.598 4.828 1.00 0.00 H new ATOM 704 N GLY A 42 4.416 11.821 5.688 1.00 0.00 N ATOM 705 CA GLY A 42 5.387 11.179 6.564 1.00 0.00 C ATOM 706 C GLY A 42 5.680 9.733 6.242 1.00 0.00 C ATOM 707 O GLY A 42 4.912 9.077 5.543 1.00 0.00 O ATOM 0 H GLY A 42 4.576 11.659 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.320 11.741 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.025 11.241 7.590 1.00 0.00 H new ATOM 711 N GLU A 43 6.746 9.217 6.857 1.00 0.00 N ATOM 712 CA GLU A 43 7.076 7.812 6.780 1.00 0.00 C ATOM 713 C GLU A 43 6.239 7.067 7.822 1.00 0.00 C ATOM 714 O GLU A 43 5.540 6.116 7.494 1.00 0.00 O ATOM 715 CB GLU A 43 8.587 7.639 7.061 1.00 0.00 C ATOM 716 CG GLU A 43 9.071 6.183 7.246 1.00 0.00 C ATOM 717 CD GLU A 43 9.040 5.623 8.667 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.956 6.437 9.608 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.128 4.378 8.776 1.00 0.00 O ATOM 0 H GLU A 43 7.396 9.768 7.418 1.00 0.00 H new ATOM 0 HA GLU A 43 6.858 7.409 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.145 8.086 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.838 8.203 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.460 5.539 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.094 6.115 6.876 1.00 0.00 H new ATOM 726 N GLU A 44 6.301 7.502 9.083 1.00 0.00 N ATOM 727 CA GLU A 44 5.816 6.711 10.211 1.00 0.00 C ATOM 728 C GLU A 44 4.353 6.311 10.010 1.00 0.00 C ATOM 729 O GLU A 44 4.023 5.129 10.017 1.00 0.00 O ATOM 730 CB GLU A 44 6.053 7.463 11.528 1.00 0.00 C ATOM 731 CG GLU A 44 6.224 6.489 12.706 1.00 0.00 C ATOM 732 CD GLU A 44 6.471 7.204 14.032 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.476 8.454 14.024 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.656 6.483 15.036 1.00 0.00 O ATOM 0 H GLU A 44 6.687 8.408 9.348 1.00 0.00 H new ATOM 0 HA GLU A 44 6.383 5.782 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.942 8.087 11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.214 8.130 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.331 5.870 12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.058 5.818 12.499 1.00 0.00 H new ATOM 741 N VAL A 45 3.486 7.290 9.731 1.00 0.00 N ATOM 742 CA VAL A 45 2.082 7.054 9.429 1.00 0.00 C ATOM 743 C VAL A 45 1.893 5.996 8.335 1.00 0.00 C ATOM 744 O VAL A 45 0.936 5.234 8.363 1.00 0.00 O ATOM 745 CB VAL A 45 1.396 8.380 9.059 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.490 9.384 10.215 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.943 9.022 7.773 1.00 0.00 C ATOM 0 H VAL A 45 3.748 8.276 9.710 1.00 0.00 H new ATOM 0 HA VAL A 45 1.608 6.653 10.325 1.00 0.00 H new ATOM 0 HB VAL A 45 0.353 8.126 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.998 10.314 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.001 8.970 11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.538 9.582 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.411 9.953 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.006 9.230 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.800 8.339 6.936 1.00 0.00 H new ATOM 757 N LEU A 46 2.808 5.945 7.371 1.00 0.00 N ATOM 758 CA LEU A 46 2.771 5.021 6.253 1.00 0.00 C ATOM 759 C LEU A 46 3.267 3.642 6.701 1.00 0.00 C ATOM 760 O LEU A 46 2.718 2.614 6.303 1.00 0.00 O ATOM 761 CB LEU A 46 3.614 5.672 5.139 1.00 0.00 C ATOM 762 CG LEU A 46 3.439 5.124 3.727 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.086 3.741 3.596 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.958 5.158 3.339 1.00 0.00 C ATOM 0 H LEU A 46 3.617 6.566 7.350 1.00 0.00 H new ATOM 0 HA LEU A 46 1.766 4.842 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.384 6.737 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.665 5.577 5.411 1.00 0.00 H new ATOM 0 HG LEU A 46 3.963 5.758 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.949 3.370 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.151 3.816 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.619 3.053 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.837 4.766 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.385 4.547 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.596 6.186 3.375 1.00 0.00 H new ATOM 776 N ARG A 47 4.288 3.623 7.558 1.00 0.00 N ATOM 777 CA ARG A 47 4.928 2.421 8.074 1.00 0.00 C ATOM 778 C ARG A 47 4.194 1.813 9.273 1.00 0.00 C ATOM 779 O ARG A 47 4.483 0.681 9.651 1.00 0.00 O ATOM 780 CB ARG A 47 6.409 2.737 8.369 1.00 0.00 C ATOM 781 CG ARG A 47 7.359 1.779 7.643 1.00 0.00 C ATOM 782 CD ARG A 47 7.678 0.509 8.442 1.00 0.00 C ATOM 783 NE ARG A 47 9.063 0.565 8.930 1.00 0.00 N ATOM 784 CZ ARG A 47 9.772 -0.488 9.362 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.179 -1.679 9.513 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.069 -0.336 9.649 1.00 0.00 N ATOM 0 H ARG A 47 4.705 4.479 7.923 1.00 0.00 H new ATOM 0 HA ARG A 47 4.877 1.643 7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.628 3.761 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.585 2.677 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.916 1.496 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.289 2.302 7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.990 0.414 9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.539 -0.371 7.815 1.00 0.00 H new ATOM 0 HE ARG A 47 9.521 1.476 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.187 -1.786 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.719 -2.480 9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.512 0.576 9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.615 -1.132 9.978 1.00 0.00 H new ATOM 800 N GLU A 48 3.231 2.544 9.839 1.00 0.00 N ATOM 801 CA GLU A 48 2.451 2.177 11.008 1.00 0.00 C ATOM 802 C GLU A 48 1.879 0.768 10.898 1.00 0.00 C ATOM 803 O GLU A 48 2.000 -0.034 11.821 1.00 0.00 O ATOM 804 CB GLU A 48 1.331 3.217 11.186 1.00 0.00 C ATOM 805 CG GLU A 48 1.601 4.194 12.336 1.00 0.00 C ATOM 806 CD GLU A 48 1.383 3.524 13.686 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.201 3.445 14.085 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.391 3.085 14.280 1.00 0.00 O ATOM 0 H GLU A 48 2.965 3.456 9.469 1.00 0.00 H new ATOM 0 HA GLU A 48 3.101 2.172 11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.213 3.778 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.388 2.701 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.624 4.564 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.943 5.059 12.245 1.00 0.00 H new ATOM 815 N GLN A 49 1.234 0.475 9.767 1.00 0.00 N ATOM 816 CA GLN A 49 0.676 -0.845 9.525 1.00 0.00 C ATOM 817 C GLN A 49 1.692 -1.642 8.722 1.00 0.00 C ATOM 818 O GLN A 49 2.300 -2.585 9.224 1.00 0.00 O ATOM 819 CB GLN A 49 -0.669 -0.710 8.792 1.00 0.00 C ATOM 820 CG GLN A 49 -1.805 -0.343 9.759 1.00 0.00 C ATOM 821 CD GLN A 49 -2.253 -1.514 10.636 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.755 -2.630 10.519 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.217 -1.279 11.522 1.00 0.00 N ATOM 0 H GLN A 49 1.088 1.139 9.007 1.00 0.00 H new ATOM 0 HA GLN A 49 0.478 -1.371 10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.588 0.054 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.906 -1.648 8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.478 0.477 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.658 0.020 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.618 -0.345 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.555 -2.033 12.120 1.00 0.00 H new ATOM 832 N ALA A 50 1.861 -1.229 7.464 1.00 0.00 N ATOM 833 CA ALA A 50 2.597 -1.950 6.437 1.00 0.00 C ATOM 834 C ALA A 50 2.043 -3.366 6.191 1.00 0.00 C ATOM 835 O ALA A 50 1.282 -3.900 6.992 1.00 0.00 O ATOM 836 CB ALA A 50 4.089 -1.944 6.772 1.00 0.00 C ATOM 0 H ALA A 50 1.472 -0.349 7.125 1.00 0.00 H new ATOM 0 HA ALA A 50 2.461 -1.430 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.637 -2.485 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.447 -0.916 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.247 -2.427 7.736 1.00 0.00 H new ATOM 842 N GLY A 51 2.405 -3.954 5.046 1.00 0.00 N ATOM 843 CA GLY A 51 2.026 -5.285 4.580 1.00 0.00 C ATOM 844 C GLY A 51 0.648 -5.740 5.058 1.00 0.00 C ATOM 845 O GLY A 51 0.538 -6.692 5.827 1.00 0.00 O ATOM 0 H GLY A 51 3.011 -3.478 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.043 -5.296 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.772 -6.004 4.918 1.00 0.00 H new ATOM 849 N GLY A 52 -0.411 -5.065 4.607 1.00 0.00 N ATOM 850 CA GLY A 52 -1.761 -5.358 5.030 1.00 0.00 C ATOM 851 C GLY A 52 -2.695 -4.273 4.510 1.00 0.00 C ATOM 852 O GLY A 52 -2.260 -3.322 3.845 1.00 0.00 O ATOM 0 H GLY A 52 -0.345 -4.299 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.070 -6.333 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.811 -5.408 6.118 1.00 0.00 H new ATOM 856 N ASP A 53 -3.980 -4.452 4.811 1.00 0.00 N ATOM 857 CA ASP A 53 -5.093 -3.579 4.487 1.00 0.00 C ATOM 858 C ASP A 53 -4.945 -2.229 5.170 1.00 0.00 C ATOM 859 O ASP A 53 -5.598 -1.946 6.172 1.00 0.00 O ATOM 860 CB ASP A 53 -6.415 -4.263 4.888 1.00 0.00 C ATOM 861 CG ASP A 53 -6.567 -5.667 4.321 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.686 -6.495 4.650 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.539 -5.877 3.564 1.00 0.00 O ATOM 0 H ASP A 53 -4.287 -5.276 5.327 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.101 -3.398 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.476 -4.310 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.250 -3.650 4.548 1.00 0.00 H new ATOM 868 N ALA A 54 -4.132 -1.349 4.584 1.00 0.00 N ATOM 869 CA ALA A 54 -4.039 0.013 5.071 1.00 0.00 C ATOM 870 C ALA A 54 -5.207 0.852 4.541 1.00 0.00 C ATOM 871 O ALA A 54 -5.305 2.023 4.907 1.00 0.00 O ATOM 872 CB ALA A 54 -2.669 0.610 4.742 1.00 0.00 C ATOM 0 H ALA A 54 -3.538 -1.558 3.782 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.123 0.016 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.619 1.633 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.889 0.012 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.522 0.611 3.662 1.00 0.00 H new ATOM 878 N THR A 55 -6.092 0.275 3.706 1.00 0.00 N ATOM 879 CA THR A 55 -7.296 0.945 3.219 1.00 0.00 C ATOM 880 C THR A 55 -7.998 1.688 4.357 1.00 0.00 C ATOM 881 O THR A 55 -8.329 2.857 4.199 1.00 0.00 O ATOM 882 CB THR A 55 -8.299 -0.017 2.547 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.681 -0.945 1.676 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.296 0.792 1.708 1.00 0.00 C ATOM 0 H THR A 55 -5.984 -0.676 3.353 1.00 0.00 H new ATOM 0 HA THR A 55 -6.959 1.650 2.459 1.00 0.00 H new ATOM 0 HB THR A 55 -8.784 -0.566 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.363 -1.528 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.005 0.115 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.834 1.487 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.758 1.350 0.942 1.00 0.00 H new ATOM 892 N GLU A 56 -8.200 1.012 5.496 1.00 0.00 N ATOM 893 CA GLU A 56 -8.839 1.577 6.679 1.00 0.00 C ATOM 894 C GLU A 56 -8.272 2.971 6.968 1.00 0.00 C ATOM 895 O GLU A 56 -9.002 3.956 7.036 1.00 0.00 O ATOM 896 CB GLU A 56 -8.651 0.616 7.873 1.00 0.00 C ATOM 897 CG GLU A 56 -9.970 0.352 8.607 1.00 0.00 C ATOM 898 CD GLU A 56 -9.773 -0.669 9.721 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.386 -0.233 10.826 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.986 -1.865 9.434 1.00 0.00 O ATOM 0 H GLU A 56 -7.917 0.040 5.617 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.909 1.692 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.238 -0.328 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.927 1.039 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.352 1.284 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.718 -0.012 7.902 1.00 0.00 H new ATOM 907 N ASN A 57 -6.944 3.055 7.065 1.00 0.00 N ATOM 908 CA ASN A 57 -6.245 4.302 7.331 1.00 0.00 C ATOM 909 C ASN A 57 -6.387 5.249 6.137 1.00 0.00 C ATOM 910 O ASN A 57 -6.787 6.398 6.283 1.00 0.00 O ATOM 911 CB ASN A 57 -4.769 4.007 7.638 1.00 0.00 C ATOM 912 CG ASN A 57 -4.343 4.606 8.974 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.904 5.747 9.043 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.460 3.833 10.050 1.00 0.00 N ATOM 0 H ASN A 57 -6.324 2.252 6.960 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.686 4.792 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.609 2.929 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.143 4.410 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.180 4.187 10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.829 2.886 9.960 1.00 0.00 H new ATOM 921 N PHE A 58 -6.060 4.756 4.940 1.00 0.00 N ATOM 922 CA PHE A 58 -6.076 5.527 3.700 1.00 0.00 C ATOM 923 C PHE A 58 -7.416 6.243 3.478 1.00 0.00 C ATOM 924 O PHE A 58 -7.427 7.365 2.969 1.00 0.00 O ATOM 925 CB PHE A 58 -5.739 4.596 2.532 1.00 0.00 C ATOM 926 CG PHE A 58 -5.492 5.280 1.201 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.311 6.017 1.006 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.407 5.141 0.140 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.070 6.663 -0.219 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.138 5.741 -1.104 1.00 0.00 C ATOM 931 CZ PHE A 58 -4.980 6.518 -1.279 1.00 0.00 C ATOM 0 H PHE A 58 -5.770 3.787 4.806 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.323 6.312 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.852 4.019 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.556 3.885 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.585 6.087 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.315 4.574 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.186 7.270 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.824 5.604 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.790 7.002 -2.226 1.00 0.00 H new ATOM 941 N GLU A 59 -8.516 5.592 3.871 1.00 0.00 N ATOM 942 CA GLU A 59 -9.873 6.114 3.816 1.00 0.00 C ATOM 943 C GLU A 59 -10.205 6.938 5.062 1.00 0.00 C ATOM 944 O GLU A 59 -10.908 7.936 4.931 1.00 0.00 O ATOM 945 CB GLU A 59 -10.878 4.970 3.621 1.00 0.00 C ATOM 946 CG GLU A 59 -10.936 4.515 2.154 1.00 0.00 C ATOM 947 CD GLU A 59 -11.675 5.511 1.263 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.870 5.741 1.536 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.062 5.996 0.285 1.00 0.00 O ATOM 0 H GLU A 59 -8.476 4.646 4.252 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.945 6.783 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.599 4.127 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.868 5.295 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.922 4.379 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.430 3.545 2.097 1.00 0.00 H new ATOM 956 N ASP A 60 -9.684 6.592 6.246 1.00 0.00 N ATOM 957 CA ASP A 60 -9.805 7.446 7.429 1.00 0.00 C ATOM 958 C ASP A 60 -9.363 8.879 7.104 1.00 0.00 C ATOM 959 O ASP A 60 -10.109 9.833 7.318 1.00 0.00 O ATOM 960 CB ASP A 60 -8.995 6.874 8.598 1.00 0.00 C ATOM 961 CG ASP A 60 -9.205 7.703 9.856 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.188 7.410 10.570 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.378 8.611 10.080 1.00 0.00 O ATOM 0 H ASP A 60 -9.174 5.724 6.408 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.853 7.472 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.293 5.842 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.936 6.858 8.340 1.00 0.00 H new ATOM 968 N VAL A 61 -8.172 9.021 6.507 1.00 0.00 N ATOM 969 CA VAL A 61 -7.704 10.316 6.008 1.00 0.00 C ATOM 970 C VAL A 61 -8.377 10.725 4.692 1.00 0.00 C ATOM 971 O VAL A 61 -8.290 11.885 4.291 1.00 0.00 O ATOM 972 CB VAL A 61 -6.172 10.356 5.885 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.552 10.537 7.272 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.550 9.122 5.247 1.00 0.00 C ATOM 0 H VAL A 61 -7.517 8.253 6.359 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.001 11.054 6.753 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.959 11.195 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.466 10.565 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.905 11.471 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.843 9.704 7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.467 9.242 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.794 8.242 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.943 8.997 4.238 1.00 0.00 H new ATOM 984 N GLY A 62 -9.017 9.790 3.989 1.00 0.00 N ATOM 985 CA GLY A 62 -9.722 10.038 2.741 1.00 0.00 C ATOM 986 C GLY A 62 -8.750 10.137 1.568 1.00 0.00 C ATOM 987 O GLY A 62 -8.858 9.375 0.610 1.00 0.00 O ATOM 0 H GLY A 62 -9.058 8.814 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.436 9.235 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.295 10.962 2.821 1.00 0.00 H new ATOM 991 N HIS A 63 -7.821 11.097 1.657 1.00 0.00 N ATOM 992 CA HIS A 63 -6.940 11.546 0.586 1.00 0.00 C ATOM 993 C HIS A 63 -7.734 12.199 -0.552 1.00 0.00 C ATOM 994 O HIS A 63 -8.913 11.920 -0.760 1.00 0.00 O ATOM 995 CB HIS A 63 -6.047 10.420 0.051 1.00 0.00 C ATOM 996 CG HIS A 63 -4.978 9.949 0.999 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.111 8.972 1.956 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.658 10.306 0.943 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.883 8.764 2.471 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.954 9.543 1.883 1.00 0.00 N ATOM 0 H HIS A 63 -7.660 11.605 2.527 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.281 12.298 1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.678 9.571 -0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.571 10.760 -0.869 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.972 8.496 2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.232 11.050 0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.669 8.058 3.260 1.00 0.00 H new ATOM 1008 N SER A 64 -7.085 13.087 -1.309 1.00 0.00 N ATOM 1009 CA SER A 64 -7.682 13.628 -2.517 1.00 0.00 C ATOM 1010 C SER A 64 -7.633 12.601 -3.650 1.00 0.00 C ATOM 1011 O SER A 64 -6.870 11.635 -3.623 1.00 0.00 O ATOM 1012 CB SER A 64 -6.962 14.917 -2.916 1.00 0.00 C ATOM 1013 OG SER A 64 -7.066 15.863 -1.874 1.00 0.00 O ATOM 0 H SER A 64 -6.151 13.441 -1.102 1.00 0.00 H new ATOM 0 HA SER A 64 -8.730 13.858 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.913 14.708 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.397 15.320 -3.830 1.00 0.00 H new ATOM 0 HG SER A 64 -6.602 16.687 -2.132 1.00 0.00 H new ATOM 1019 N THR A 65 -8.427 12.850 -4.689 1.00 0.00 N ATOM 1020 CA THR A 65 -8.451 12.044 -5.901 1.00 0.00 C ATOM 1021 C THR A 65 -7.051 11.940 -6.507 1.00 0.00 C ATOM 1022 O THR A 65 -6.654 10.877 -6.986 1.00 0.00 O ATOM 1023 CB THR A 65 -9.450 12.671 -6.881 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.688 12.810 -6.212 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.630 11.816 -8.139 1.00 0.00 C ATOM 0 H THR A 65 -9.082 13.632 -4.710 1.00 0.00 H new ATOM 0 HA THR A 65 -8.770 11.027 -5.671 1.00 0.00 H new ATOM 0 HB THR A 65 -9.069 13.640 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.345 13.211 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.346 12.296 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.672 11.712 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.001 10.830 -7.859 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.303 13.048 -6.467 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.959 13.120 -7.011 1.00 0.00 C ATOM 1035 C ASP A 66 -4.110 11.980 -6.453 1.00 0.00 C ATOM 1036 O ASP A 66 -3.639 11.137 -7.204 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.346 14.497 -6.722 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.470 14.924 -7.887 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.402 14.298 -8.047 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.905 15.849 -8.606 1.00 0.00 O ATOM 0 H ASP A 66 -6.624 13.922 -6.051 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.994 13.002 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.136 15.231 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.756 14.458 -5.806 1.00 0.00 H new ATOM 1045 N ALA A 67 -4.010 11.893 -5.122 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.348 10.804 -4.411 1.00 0.00 C ATOM 1047 C ALA A 67 -3.817 9.423 -4.894 1.00 0.00 C ATOM 1048 O ALA A 67 -2.994 8.519 -5.025 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.615 10.942 -2.914 1.00 0.00 C ATOM 0 H ALA A 67 -4.399 12.599 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.280 10.875 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.122 10.130 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.226 11.897 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.688 10.898 -2.730 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.121 9.223 -5.150 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.596 7.947 -5.690 1.00 0.00 C ATOM 1057 C ARG A 68 -4.991 7.666 -7.066 1.00 0.00 C ATOM 1058 O ARG A 68 -4.542 6.552 -7.320 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.126 7.843 -5.785 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.838 7.695 -4.434 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.978 6.670 -4.578 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.810 6.540 -3.364 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.939 5.810 -3.313 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.297 5.078 -4.377 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.715 5.809 -2.230 1.00 0.00 N ATOM 0 H ARG A 68 -5.851 9.918 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.262 7.197 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.508 8.732 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.381 6.989 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.132 7.368 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.235 8.657 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.613 6.960 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.552 5.697 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.513 7.030 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.715 5.078 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.151 4.521 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.457 6.369 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.567 5.248 -2.213 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.988 8.631 -7.984 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.328 8.400 -9.265 1.00 0.00 C ATOM 1081 C GLU A 69 -2.821 8.206 -9.063 1.00 0.00 C ATOM 1082 O GLU A 69 -2.207 7.333 -9.674 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.647 9.529 -10.251 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.893 9.186 -11.078 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.541 8.277 -12.248 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.124 8.809 -13.295 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.694 7.050 -12.068 1.00 0.00 O ATOM 0 H GLU A 69 -5.419 9.549 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.714 7.480 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.810 10.459 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.797 9.692 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.632 8.697 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.350 10.103 -11.450 1.00 0.00 H new ATOM 1094 N LEU A 70 -2.227 8.981 -8.160 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.818 8.892 -7.837 1.00 0.00 C ATOM 1096 C LEU A 70 -0.501 7.471 -7.362 1.00 0.00 C ATOM 1097 O LEU A 70 0.471 6.882 -7.818 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.440 9.988 -6.823 1.00 0.00 C ATOM 1099 CG LEU A 70 0.942 10.627 -7.068 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.062 9.599 -7.072 1.00 0.00 C ATOM 1101 CD2 LEU A 70 0.952 11.471 -8.349 1.00 0.00 C ATOM 0 H LEU A 70 -2.723 9.696 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.203 9.075 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.199 10.770 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.458 9.561 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 70 1.131 11.296 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.014 10.099 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.092 9.090 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.884 8.870 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.941 11.906 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.708 10.839 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.214 12.268 -8.265 1.00 0.00 H new ATOM 1113 N SER A 71 -1.347 6.873 -6.513 1.00 0.00 N ATOM 1114 CA SER A 71 -1.149 5.499 -6.065 1.00 0.00 C ATOM 1115 C SER A 71 -0.912 4.563 -7.247 1.00 0.00 C ATOM 1116 O SER A 71 -0.029 3.719 -7.193 1.00 0.00 O ATOM 1117 CB SER A 71 -2.301 5.005 -5.175 1.00 0.00 C ATOM 1118 OG SER A 71 -3.430 4.558 -5.896 1.00 0.00 O ATOM 0 H SER A 71 -2.175 7.325 -6.125 1.00 0.00 H new ATOM 0 HA SER A 71 -0.251 5.490 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.938 4.192 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.604 5.812 -4.508 1.00 0.00 H new ATOM 0 HG SER A 71 -3.677 5.229 -6.566 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.666 4.728 -8.334 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.536 3.887 -9.515 1.00 0.00 C ATOM 1126 C LYS A 72 -0.094 3.865 -10.035 1.00 0.00 C ATOM 1127 O LYS A 72 0.436 2.803 -10.344 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.551 4.330 -10.576 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.533 3.201 -10.930 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.751 3.778 -11.668 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.958 3.918 -10.723 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.865 4.997 -11.156 1.00 0.00 N ATOM 0 H LYS A 72 -2.383 5.449 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.765 2.855 -9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.106 5.194 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.023 4.648 -11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.037 2.458 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.855 2.690 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.498 4.752 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.014 3.130 -12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.504 2.975 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.607 4.121 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.527 5.223 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.309 5.843 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.399 4.687 -11.993 1.00 0.00 H new ATOM 1146 N THR A 73 0.576 5.015 -10.071 1.00 0.00 N ATOM 1147 CA THR A 73 1.989 5.099 -10.427 1.00 0.00 C ATOM 1148 C THR A 73 2.894 4.235 -9.520 1.00 0.00 C ATOM 1149 O THR A 73 3.989 3.860 -9.931 1.00 0.00 O ATOM 1150 CB THR A 73 2.375 6.589 -10.467 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.823 7.171 -11.631 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.875 6.848 -10.449 1.00 0.00 C ATOM 0 H THR A 73 0.152 5.917 -9.853 1.00 0.00 H new ATOM 0 HA THR A 73 2.151 4.668 -11.415 1.00 0.00 H new ATOM 0 HB THR A 73 1.976 7.036 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.061 8.121 -11.666 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.059 7.922 -10.479 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.305 6.432 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.336 6.376 -11.317 1.00 0.00 H new ATOM 1160 N TYR A 74 2.450 3.902 -8.305 1.00 0.00 N ATOM 1161 CA TYR A 74 3.183 3.127 -7.306 1.00 0.00 C ATOM 1162 C TYR A 74 2.648 1.689 -7.229 1.00 0.00 C ATOM 1163 O TYR A 74 3.070 0.905 -6.374 1.00 0.00 O ATOM 1164 CB TYR A 74 3.047 3.820 -5.941 1.00 0.00 C ATOM 1165 CG TYR A 74 3.783 5.145 -5.801 1.00 0.00 C ATOM 1166 CD1 TYR A 74 3.494 6.218 -6.662 1.00 0.00 C ATOM 1167 CD2 TYR A 74 4.780 5.306 -4.822 1.00 0.00 C ATOM 1168 CE1 TYR A 74 4.269 7.385 -6.630 1.00 0.00 C ATOM 1169 CE2 TYR A 74 5.473 6.526 -4.719 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.213 7.571 -5.616 1.00 0.00 C ATOM 1171 OH TYR A 74 5.880 8.758 -5.543 1.00 0.00 O ATOM 0 H TYR A 74 1.525 4.180 -7.978 1.00 0.00 H new ATOM 0 HA TYR A 74 4.234 3.076 -7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.989 3.990 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.410 3.140 -5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.668 6.142 -7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.013 4.494 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.137 8.141 -7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.212 6.658 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 74 6.019 8.998 -4.603 1.00 0.00 H new ATOM 1181 N ILE A 75 1.688 1.343 -8.092 1.00 0.00 N ATOM 1182 CA ILE A 75 1.052 0.037 -8.096 1.00 0.00 C ATOM 1183 C ILE A 75 2.068 -1.008 -8.536 1.00 0.00 C ATOM 1184 O ILE A 75 2.743 -0.832 -9.549 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.224 0.070 -8.953 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.281 -0.893 -8.396 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.018 -0.205 -10.447 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.648 -0.609 -9.015 1.00 0.00 C ATOM 0 H ILE A 75 1.332 1.973 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 75 0.725 -0.241 -7.094 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.593 1.094 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.988 -1.922 -8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.338 -0.791 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.930 -0.164 -10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.695 0.548 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.461 -1.194 -10.568 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.383 -1.302 -8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.946 0.414 -8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.591 -0.735 -10.096 1.00 0.00 H new ATOM 1200 N ILE A 76 2.189 -2.091 -7.769 1.00 0.00 N ATOM 1201 CA ILE A 76 3.059 -3.198 -8.136 1.00 0.00 C ATOM 1202 C ILE A 76 2.242 -4.350 -8.709 1.00 0.00 C ATOM 1203 O ILE A 76 2.705 -4.999 -9.644 1.00 0.00 O ATOM 1204 CB ILE A 76 3.973 -3.610 -6.972 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.200 -3.810 -5.659 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.066 -2.548 -6.808 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.068 -4.404 -4.548 1.00 0.00 C ATOM 0 H ILE A 76 1.692 -2.222 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 76 3.732 -2.869 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 76 4.420 -4.575 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.799 -2.852 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.349 -4.466 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.724 -2.827 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.646 -2.478 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.606 -1.583 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.471 -4.523 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.448 -5.376 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.905 -3.736 -4.344 1.00 0.00 H new ATOM 1219 N GLY A 77 1.038 -4.592 -8.183 1.00 0.00 N ATOM 1220 CA GLY A 77 0.153 -5.646 -8.652 1.00 0.00 C ATOM 1221 C GLY A 77 -1.249 -5.459 -8.054 1.00 0.00 C ATOM 1222 O GLY A 77 -1.720 -4.328 -7.958 1.00 0.00 O ATOM 0 H GLY A 77 0.651 -4.051 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.098 -5.629 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.552 -6.620 -8.368 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.915 -6.544 -7.647 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.306 -6.550 -7.175 1.00 0.00 C ATOM 1228 C GLU A 78 -3.428 -7.711 -6.176 1.00 0.00 C ATOM 1229 O GLU A 78 -2.463 -8.467 -6.016 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.262 -6.687 -8.387 1.00 0.00 C ATOM 1231 CG GLU A 78 -5.536 -5.809 -8.391 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.821 -6.539 -7.971 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.764 -7.206 -6.918 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -7.848 -6.447 -8.700 1.00 0.00 O ATOM 0 H GLU A 78 -1.490 -7.471 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.583 -5.622 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.695 -6.462 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.571 -7.730 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.380 -4.963 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.677 -5.402 -9.392 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.566 -7.868 -5.494 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.738 -8.991 -4.576 1.00 0.00 C ATOM 1243 C LEU A 79 -5.062 -10.254 -5.373 1.00 0.00 C ATOM 1244 O LEU A 79 -5.859 -10.214 -6.310 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.826 -8.708 -3.526 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.232 -8.131 -2.231 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.883 -6.645 -2.364 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.198 -8.346 -1.061 1.00 0.00 C ATOM 0 H LEU A 79 -5.368 -7.242 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.805 -9.138 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.554 -8.008 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.363 -9.630 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.303 -8.666 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.467 -6.283 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.150 -6.513 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.784 -6.080 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.764 -7.933 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.143 -7.846 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.375 -9.413 -0.927 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.434 -11.381 -5.020 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.621 -12.645 -5.719 1.00 0.00 C ATOM 1262 C HIS A 80 -6.110 -12.962 -5.932 1.00 0.00 C ATOM 1263 O HIS A 80 -6.891 -12.862 -4.984 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.908 -13.759 -4.944 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.511 -14.928 -5.799 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.134 -16.152 -5.850 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.466 -14.952 -6.683 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.490 -16.891 -6.769 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.475 -16.199 -7.312 1.00 0.00 N ATOM 0 H HIS A 80 -3.781 -11.436 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.181 -12.569 -6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.017 -13.347 -4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.561 -14.109 -4.145 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.763 -14.152 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.753 -17.904 -7.035 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.837 -16.521 -8.040 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.519 -13.343 -7.159 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.923 -13.449 -7.535 1.00 0.00 C ATOM 1279 C PRO A 81 -8.709 -14.387 -6.617 1.00 0.00 C ATOM 1280 O PRO A 81 -9.898 -14.163 -6.373 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.960 -13.865 -9.008 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.553 -14.385 -9.300 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.669 -13.652 -8.296 1.00 0.00 C ATOM 0 HA PRO A 81 -8.426 -12.490 -7.412 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.711 -14.635 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.212 -13.022 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.492 -15.466 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.254 -14.170 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.825 -14.273 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.256 -12.742 -8.732 1.00 0.00 H new