USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot -172:sc= 0.419 USER MOD Set 1.2: A 89 SER OG : rot 65:sc= 1.41 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.067 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 26 GLN : amide:sc= -0.0914 K(o=-0.091,f=-2.8!) USER MOD Single : A 27 SER OG : rot -47:sc= 0.0106 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00606 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 23:sc= 0.00323 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.46 K(o=-0.46,f=-5!) USER MOD Single : A 98 HIS : no HD1:sc= -1.82! K(o=-1.8!,f=-0.58) USER MOD Single : A 99 CYS SG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 16.349 -3.296 -0.228 1.00 0.00 N ATOM 44 CA GLU A 4 14.956 -3.330 0.301 1.00 0.00 C ATOM 45 C GLU A 4 14.176 -2.125 -0.231 1.00 0.00 C ATOM 46 O GLU A 4 14.728 -1.237 -0.849 1.00 0.00 O ATOM 47 CB GLU A 4 14.991 -3.275 1.831 1.00 0.00 C ATOM 48 CG GLU A 4 16.054 -2.271 2.280 1.00 0.00 C ATOM 49 CD GLU A 4 15.513 -1.444 3.449 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.261 -2.025 4.492 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.363 -0.245 3.282 1.00 0.00 O ATOM 0 HA GLU A 4 14.469 -4.250 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.014 -2.984 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.213 -4.262 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.961 -2.795 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.324 -1.616 1.452 1.00 0.00 H new ATOM 58 N ILE A 5 12.893 -2.087 0.007 1.00 0.00 N ATOM 59 CA ILE A 5 12.076 -0.940 -0.480 1.00 0.00 C ATOM 60 C ILE A 5 10.900 -0.715 0.473 1.00 0.00 C ATOM 61 O ILE A 5 10.124 -1.611 0.738 1.00 0.00 O ATOM 62 CB ILE A 5 11.543 -1.247 -1.881 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.614 -0.117 -2.330 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.767 -2.564 -1.853 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.277 -0.289 -3.812 1.00 0.00 C ATOM 0 H ILE A 5 12.375 -2.802 0.518 1.00 0.00 H new ATOM 0 HA ILE A 5 12.695 -0.044 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 5 12.377 -1.332 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.700 -0.126 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.093 0.848 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.387 -2.784 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.428 -3.369 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.932 -2.480 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.615 0.516 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.195 -0.259 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.781 -1.248 -3.963 1.00 0.00 H new ATOM 77 N ARG A 6 10.762 0.474 0.990 1.00 0.00 N ATOM 78 CA ARG A 6 9.638 0.752 1.928 1.00 0.00 C ATOM 79 C ARG A 6 8.433 1.276 1.145 1.00 0.00 C ATOM 80 O ARG A 6 8.540 2.199 0.361 1.00 0.00 O ATOM 81 CB ARG A 6 10.077 1.802 2.951 1.00 0.00 C ATOM 82 CG ARG A 6 10.296 1.129 4.307 1.00 0.00 C ATOM 83 CD ARG A 6 11.702 0.529 4.358 1.00 0.00 C ATOM 84 NE ARG A 6 11.898 -0.167 5.660 1.00 0.00 N ATOM 85 CZ ARG A 6 12.821 0.243 6.487 1.00 0.00 C ATOM 86 NH1 ARG A 6 12.888 1.504 6.818 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.677 -0.609 6.983 1.00 0.00 N ATOM 0 H ARG A 6 11.378 1.265 0.804 1.00 0.00 H new ATOM 0 HA ARG A 6 9.361 -0.167 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.996 2.286 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.319 2.581 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.170 1.855 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.550 0.349 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.840 -0.172 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.449 1.314 4.237 1.00 0.00 H new ATOM 0 HE ARG A 6 11.311 -0.964 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.219 2.169 6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.609 1.824 7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.624 -1.594 6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.399 -0.289 7.629 1.00 0.00 H new ATOM 101 N LEU A 7 7.284 0.696 1.353 1.00 0.00 N ATOM 102 CA LEU A 7 6.071 1.159 0.625 1.00 0.00 C ATOM 103 C LEU A 7 4.841 0.964 1.512 1.00 0.00 C ATOM 104 O LEU A 7 4.904 0.330 2.546 1.00 0.00 O ATOM 105 CB LEU A 7 5.907 0.348 -0.662 1.00 0.00 C ATOM 106 CG LEU A 7 6.386 -1.086 -0.424 1.00 0.00 C ATOM 107 CD1 LEU A 7 5.400 -2.066 -1.061 1.00 0.00 C ATOM 108 CD2 LEU A 7 7.768 -1.272 -1.055 1.00 0.00 C ATOM 0 H LEU A 7 7.133 -0.080 1.997 1.00 0.00 H new ATOM 0 HA LEU A 7 6.176 2.215 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.863 0.347 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.480 0.805 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 7 6.446 -1.276 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.741 -3.087 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.415 -1.934 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.340 -1.877 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.111 -2.293 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.707 -1.082 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.472 -0.574 -0.602 1.00 0.00 H new ATOM 120 N TYR A 8 3.721 1.505 1.118 1.00 0.00 N ATOM 121 CA TYR A 8 2.490 1.348 1.942 1.00 0.00 C ATOM 122 C TYR A 8 1.373 0.750 1.084 1.00 0.00 C ATOM 123 O TYR A 8 1.244 1.056 -0.084 1.00 0.00 O ATOM 124 CB TYR A 8 2.050 2.715 2.469 1.00 0.00 C ATOM 125 CG TYR A 8 1.022 2.528 3.559 1.00 0.00 C ATOM 126 CD1 TYR A 8 -0.339 2.460 3.234 1.00 0.00 C ATOM 127 CD2 TYR A 8 1.429 2.423 4.896 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.293 2.287 4.244 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.475 2.250 5.907 1.00 0.00 C ATOM 130 CZ TYR A 8 -0.887 2.183 5.581 1.00 0.00 C ATOM 131 OH TYR A 8 -1.827 2.013 6.577 1.00 0.00 O ATOM 0 H TYR A 8 3.605 2.048 0.262 1.00 0.00 H new ATOM 0 HA TYR A 8 2.699 0.685 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.910 3.261 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.632 3.312 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.653 2.541 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.478 2.475 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.342 2.234 3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.788 2.168 6.937 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.377 1.958 7.446 1.00 0.00 H new ATOM 141 N ILE A 9 0.565 -0.100 1.655 1.00 0.00 N ATOM 142 CA ILE A 9 -0.542 -0.717 0.872 1.00 0.00 C ATOM 143 C ILE A 9 -1.880 -0.404 1.547 1.00 0.00 C ATOM 144 O ILE A 9 -2.077 -0.684 2.713 1.00 0.00 O ATOM 145 CB ILE A 9 -0.343 -2.233 0.815 1.00 0.00 C ATOM 146 CG1 ILE A 9 1.016 -2.546 0.185 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.452 -2.863 -0.030 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.826 -3.435 1.132 1.00 0.00 C ATOM 0 H ILE A 9 0.624 -0.394 2.630 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.541 -0.312 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.379 -2.641 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.878 -3.048 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.558 -1.621 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.310 -3.943 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.421 -2.641 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.417 -2.454 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.794 -3.658 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.976 -2.916 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.286 -4.365 1.309 1.00 0.00 H new ATOM 160 N THR A 10 -2.801 0.171 0.823 1.00 0.00 N ATOM 161 CA THR A 10 -4.124 0.498 1.427 1.00 0.00 C ATOM 162 C THR A 10 -4.638 -0.718 2.200 1.00 0.00 C ATOM 163 O THR A 10 -4.419 -1.848 1.812 1.00 0.00 O ATOM 164 CB THR A 10 -5.118 0.857 0.320 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.581 0.474 -0.938 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.377 2.364 0.331 1.00 0.00 C ATOM 0 H THR A 10 -2.695 0.428 -0.158 1.00 0.00 H new ATOM 0 HA THR A 10 -4.018 1.345 2.104 1.00 0.00 H new ATOM 0 HB THR A 10 -6.057 0.330 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.787 1.162 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.085 2.617 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.790 2.655 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.440 2.895 0.162 1.00 0.00 H new ATOM 174 N GLU A 11 -5.317 -0.498 3.291 1.00 0.00 N ATOM 175 CA GLU A 11 -5.839 -1.646 4.085 1.00 0.00 C ATOM 176 C GLU A 11 -7.359 -1.530 4.225 1.00 0.00 C ATOM 177 O GLU A 11 -7.863 -0.717 4.972 1.00 0.00 O ATOM 178 CB GLU A 11 -5.196 -1.639 5.473 1.00 0.00 C ATOM 179 CG GLU A 11 -4.204 -2.799 5.578 1.00 0.00 C ATOM 180 CD GLU A 11 -3.147 -2.473 6.635 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.778 -1.315 6.739 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.723 -3.387 7.323 1.00 0.00 O ATOM 0 H GLU A 11 -5.533 0.425 3.667 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.595 -2.578 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.685 -0.692 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.963 -1.731 6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.728 -3.717 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.727 -2.972 4.613 1.00 0.00 H new ATOM 189 N GLY A 12 -8.091 -2.341 3.511 1.00 0.00 N ATOM 190 CA GLY A 12 -9.577 -2.283 3.604 1.00 0.00 C ATOM 191 C GLY A 12 -10.112 -3.650 4.031 1.00 0.00 C ATOM 192 O GLY A 12 -9.487 -4.362 4.792 1.00 0.00 O ATOM 0 H GLY A 12 -7.724 -3.042 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.878 -1.521 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.002 -1.998 2.642 1.00 0.00 H new ATOM 196 N GLU A 13 -11.265 -4.024 3.549 1.00 0.00 N ATOM 197 CA GLU A 13 -11.838 -5.347 3.928 1.00 0.00 C ATOM 198 C GLU A 13 -12.359 -6.054 2.676 1.00 0.00 C ATOM 199 O GLU A 13 -13.457 -6.573 2.656 1.00 0.00 O ATOM 200 CB GLU A 13 -12.991 -5.141 4.912 1.00 0.00 C ATOM 201 CG GLU A 13 -13.069 -6.338 5.863 1.00 0.00 C ATOM 202 CD GLU A 13 -12.705 -5.890 7.279 1.00 0.00 C ATOM 203 OE1 GLU A 13 -13.211 -4.864 7.704 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.926 -6.581 7.915 1.00 0.00 O ATOM 0 H GLU A 13 -11.835 -3.471 2.909 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.065 -5.957 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.840 -4.222 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.930 -5.031 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.074 -6.760 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.389 -7.123 5.533 1.00 0.00 H new ATOM 211 N VAL A 14 -11.579 -6.082 1.630 1.00 0.00 N ATOM 212 CA VAL A 14 -12.034 -6.757 0.383 1.00 0.00 C ATOM 213 C VAL A 14 -11.110 -7.936 0.072 1.00 0.00 C ATOM 214 O VAL A 14 -9.940 -7.927 0.402 1.00 0.00 O ATOM 215 CB VAL A 14 -12.001 -5.761 -0.778 1.00 0.00 C ATOM 216 CG1 VAL A 14 -10.559 -5.324 -1.037 1.00 0.00 C ATOM 217 CG2 VAL A 14 -12.565 -6.428 -2.035 1.00 0.00 C ATOM 0 H VAL A 14 -10.648 -5.667 1.586 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.052 -7.122 0.519 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.604 -4.889 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.537 -4.615 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.156 -4.850 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.955 -6.195 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.543 -5.720 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.961 -7.300 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.593 -6.739 -1.851 1.00 0.00 H new ATOM 227 N GLU A 15 -11.627 -8.954 -0.559 1.00 0.00 N ATOM 228 CA GLU A 15 -10.784 -10.137 -0.890 1.00 0.00 C ATOM 229 C GLU A 15 -9.627 -9.705 -1.795 1.00 0.00 C ATOM 230 O GLU A 15 -8.492 -10.087 -1.593 1.00 0.00 O ATOM 231 CB GLU A 15 -11.637 -11.177 -1.620 1.00 0.00 C ATOM 232 CG GLU A 15 -10.882 -12.506 -1.683 1.00 0.00 C ATOM 233 CD GLU A 15 -11.141 -13.303 -0.404 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.695 -12.735 0.523 1.00 0.00 O ATOM 235 OE2 GLU A 15 -10.781 -14.468 -0.372 1.00 0.00 O ATOM 0 H GLU A 15 -12.599 -9.018 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.385 -10.568 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.587 -11.311 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.868 -10.830 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.205 -13.079 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.814 -12.324 -1.800 1.00 0.00 H new ATOM 242 N ASP A 16 -9.909 -8.913 -2.793 1.00 0.00 N ATOM 243 CA ASP A 16 -8.829 -8.459 -3.715 1.00 0.00 C ATOM 244 C ASP A 16 -7.607 -8.015 -2.908 1.00 0.00 C ATOM 245 O ASP A 16 -6.494 -8.029 -3.396 1.00 0.00 O ATOM 246 CB ASP A 16 -9.339 -7.284 -4.553 1.00 0.00 C ATOM 247 CG ASP A 16 -9.768 -7.789 -5.932 1.00 0.00 C ATOM 248 OD1 ASP A 16 -10.566 -8.709 -5.983 1.00 0.00 O ATOM 249 OD2 ASP A 16 -9.290 -7.246 -6.915 1.00 0.00 O ATOM 0 H ASP A 16 -10.841 -8.560 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.546 -9.283 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.180 -6.804 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.558 -6.531 -4.657 1.00 0.00 H new ATOM 254 N TYR A 17 -7.800 -7.617 -1.680 1.00 0.00 N ATOM 255 CA TYR A 17 -6.642 -7.169 -0.853 1.00 0.00 C ATOM 256 C TYR A 17 -5.842 -8.383 -0.380 1.00 0.00 C ATOM 257 O TYR A 17 -4.630 -8.404 -0.449 1.00 0.00 O ATOM 258 CB TYR A 17 -7.148 -6.393 0.364 1.00 0.00 C ATOM 259 CG TYR A 17 -5.987 -6.104 1.287 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.788 -5.600 0.765 1.00 0.00 C ATOM 261 CD2 TYR A 17 -6.107 -6.344 2.662 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.709 -5.335 1.620 1.00 0.00 C ATOM 263 CE2 TYR A 17 -5.028 -6.079 3.517 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.829 -5.574 2.995 1.00 0.00 C ATOM 265 OH TYR A 17 -2.768 -5.313 3.837 1.00 0.00 O ATOM 0 H TYR A 17 -8.707 -7.582 -1.214 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.002 -6.526 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.617 -5.461 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.909 -6.971 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.695 -5.416 -0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.031 -6.733 3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.785 -4.946 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.120 -6.264 4.577 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.019 -5.533 4.758 1.00 0.00 H new ATOM 275 N ARG A 18 -6.507 -9.395 0.105 1.00 0.00 N ATOM 276 CA ARG A 18 -5.777 -10.601 0.584 1.00 0.00 C ATOM 277 C ARG A 18 -5.050 -11.259 -0.587 1.00 0.00 C ATOM 278 O ARG A 18 -3.968 -11.792 -0.440 1.00 0.00 O ATOM 279 CB ARG A 18 -6.773 -11.593 1.187 1.00 0.00 C ATOM 280 CG ARG A 18 -6.636 -11.591 2.709 1.00 0.00 C ATOM 281 CD ARG A 18 -6.603 -13.032 3.221 1.00 0.00 C ATOM 282 NE ARG A 18 -7.366 -13.125 4.498 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.735 -13.094 5.640 1.00 0.00 C ATOM 284 NH1 ARG A 18 -6.314 -14.204 6.184 1.00 0.00 N ATOM 285 NH2 ARG A 18 -6.524 -11.954 6.239 1.00 0.00 N ATOM 0 H ARG A 18 -7.523 -9.439 0.190 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.051 -10.307 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.790 -11.322 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.588 -12.593 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.725 -11.069 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.470 -11.053 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.034 -13.703 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.572 -13.350 3.377 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.382 -13.213 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.478 -15.095 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.821 -14.180 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.852 -11.086 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.031 -11.930 7.132 1.00 0.00 H new ATOM 299 N VAL A 19 -5.636 -11.227 -1.750 1.00 0.00 N ATOM 300 CA VAL A 19 -4.982 -11.853 -2.931 1.00 0.00 C ATOM 301 C VAL A 19 -3.782 -11.008 -3.365 1.00 0.00 C ATOM 302 O VAL A 19 -2.750 -11.526 -3.745 1.00 0.00 O ATOM 303 CB VAL A 19 -5.990 -11.937 -4.077 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.287 -12.423 -5.346 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.100 -12.920 -3.701 1.00 0.00 C ATOM 0 H VAL A 19 -6.541 -10.794 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.639 -12.854 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.418 -10.951 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.008 -12.482 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.494 -11.725 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.858 -13.409 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.821 -12.983 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.668 -13.905 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.602 -12.574 -2.798 1.00 0.00 H new ATOM 315 N PHE A 20 -3.906 -9.710 -3.314 1.00 0.00 N ATOM 316 CA PHE A 20 -2.772 -8.837 -3.727 1.00 0.00 C ATOM 317 C PHE A 20 -1.612 -8.993 -2.741 1.00 0.00 C ATOM 318 O PHE A 20 -0.536 -9.430 -3.099 1.00 0.00 O ATOM 319 CB PHE A 20 -3.229 -7.377 -3.749 1.00 0.00 C ATOM 320 CG PHE A 20 -2.048 -6.489 -4.057 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.681 -6.250 -5.389 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.316 -5.908 -3.014 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.582 -5.429 -5.676 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.217 -5.087 -3.300 1.00 0.00 C ATOM 325 CZ PHE A 20 0.149 -4.848 -4.632 1.00 0.00 C ATOM 0 H PHE A 20 -4.743 -9.217 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.440 -9.129 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.008 -7.239 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.662 -7.105 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.245 -6.698 -6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.599 -6.093 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.299 -5.244 -6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.347 -4.639 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.996 -4.215 -4.853 1.00 0.00 H new ATOM 335 N LEU A 21 -1.819 -8.639 -1.502 1.00 0.00 N ATOM 336 CA LEU A 21 -0.724 -8.768 -0.499 1.00 0.00 C ATOM 337 C LEU A 21 -0.197 -10.203 -0.503 1.00 0.00 C ATOM 338 O LEU A 21 0.993 -10.439 -0.573 1.00 0.00 O ATOM 339 CB LEU A 21 -1.266 -8.427 0.891 1.00 0.00 C ATOM 340 CG LEU A 21 -0.114 -7.991 1.799 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.497 -6.695 1.266 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.644 -7.759 3.216 1.00 0.00 C ATOM 0 H LEU A 21 -2.697 -8.267 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 21 0.085 -8.083 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.006 -7.630 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.771 -9.293 1.318 1.00 0.00 H new ATOM 0 HG LEU A 21 0.648 -8.770 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.317 -6.386 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.874 -6.859 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.264 -5.915 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.175 -7.448 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.407 -6.980 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.079 -8.683 3.598 1.00 0.00 H new ATOM 354 N GLU A 22 -1.075 -11.165 -0.428 1.00 0.00 N ATOM 355 CA GLU A 22 -0.628 -12.585 -0.427 1.00 0.00 C ATOM 356 C GLU A 22 0.266 -12.842 -1.642 1.00 0.00 C ATOM 357 O GLU A 22 1.193 -13.626 -1.586 1.00 0.00 O ATOM 358 CB GLU A 22 -1.851 -13.503 -0.491 1.00 0.00 C ATOM 359 CG GLU A 22 -2.551 -13.520 0.869 1.00 0.00 C ATOM 360 CD GLU A 22 -3.864 -14.298 0.758 1.00 0.00 C ATOM 361 OE1 GLU A 22 -4.119 -14.843 -0.304 1.00 0.00 O ATOM 362 OE2 GLU A 22 -4.591 -14.337 1.737 1.00 0.00 O ATOM 0 H GLU A 22 -2.084 -11.028 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.066 -12.788 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.539 -13.155 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.547 -14.512 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.905 -13.981 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.747 -12.501 1.202 1.00 0.00 H new ATOM 369 N ARG A 23 -0.006 -12.194 -2.741 1.00 0.00 N ATOM 370 CA ARG A 23 0.827 -12.406 -3.959 1.00 0.00 C ATOM 371 C ARG A 23 2.185 -11.720 -3.784 1.00 0.00 C ATOM 372 O ARG A 23 3.199 -12.203 -4.249 1.00 0.00 O ATOM 373 CB ARG A 23 0.111 -11.812 -5.174 1.00 0.00 C ATOM 374 CG ARG A 23 -0.528 -12.937 -5.989 1.00 0.00 C ATOM 375 CD ARG A 23 0.018 -12.907 -7.418 1.00 0.00 C ATOM 376 NE ARG A 23 0.261 -14.301 -7.886 1.00 0.00 N ATOM 377 CZ ARG A 23 0.762 -14.514 -9.072 1.00 0.00 C ATOM 378 NH1 ARG A 23 0.104 -14.144 -10.135 1.00 0.00 N ATOM 379 NH2 ARG A 23 1.923 -15.100 -9.193 1.00 0.00 N ATOM 0 H ARG A 23 -0.770 -11.526 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 23 0.980 -13.475 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.652 -11.105 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.818 -11.258 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.315 -13.901 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.612 -12.822 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.691 -12.408 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.944 -12.334 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 23 0.036 -15.089 -7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.803 -13.688 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.496 -14.311 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.437 -15.391 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.316 -15.267 -10.119 1.00 0.00 H new ATOM 393 N LEU A 24 2.211 -10.595 -3.123 1.00 0.00 N ATOM 394 CA LEU A 24 3.501 -9.876 -2.924 1.00 0.00 C ATOM 395 C LEU A 24 4.569 -10.854 -2.427 1.00 0.00 C ATOM 396 O LEU A 24 5.739 -10.712 -2.724 1.00 0.00 O ATOM 397 CB LEU A 24 3.309 -8.763 -1.892 1.00 0.00 C ATOM 398 CG LEU A 24 3.380 -7.404 -2.588 1.00 0.00 C ATOM 399 CD1 LEU A 24 1.965 -6.926 -2.923 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.052 -6.390 -1.660 1.00 0.00 C ATOM 0 H LEU A 24 1.394 -10.143 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 24 3.823 -9.445 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.347 -8.878 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.078 -8.830 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 24 3.959 -7.498 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.016 -5.957 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.484 -7.647 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.385 -6.833 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.103 -5.421 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.473 -6.298 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.060 -6.728 -1.420 1.00 0.00 H new ATOM 412 N GLU A 25 4.179 -11.843 -1.671 1.00 0.00 N ATOM 413 CA GLU A 25 5.179 -12.822 -1.157 1.00 0.00 C ATOM 414 C GLU A 25 5.759 -13.627 -2.323 1.00 0.00 C ATOM 415 O GLU A 25 6.947 -13.869 -2.391 1.00 0.00 O ATOM 416 CB GLU A 25 4.502 -13.774 -0.167 1.00 0.00 C ATOM 417 CG GLU A 25 5.556 -14.687 0.462 1.00 0.00 C ATOM 418 CD GLU A 25 6.468 -13.863 1.374 1.00 0.00 C ATOM 419 OE1 GLU A 25 7.288 -13.126 0.849 1.00 0.00 O ATOM 420 OE2 GLU A 25 6.332 -13.983 2.580 1.00 0.00 O ATOM 0 H GLU A 25 3.215 -12.016 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 25 5.983 -12.285 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.988 -13.205 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.746 -14.371 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.072 -15.479 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.145 -15.171 -0.317 1.00 0.00 H new ATOM 427 N GLN A 26 4.931 -14.047 -3.241 1.00 0.00 N ATOM 428 CA GLN A 26 5.442 -14.838 -4.397 1.00 0.00 C ATOM 429 C GLN A 26 6.224 -13.919 -5.340 1.00 0.00 C ATOM 430 O GLN A 26 6.799 -14.362 -6.315 1.00 0.00 O ATOM 431 CB GLN A 26 4.267 -15.462 -5.152 1.00 0.00 C ATOM 432 CG GLN A 26 3.606 -16.530 -4.279 1.00 0.00 C ATOM 433 CD GLN A 26 2.152 -16.721 -4.717 1.00 0.00 C ATOM 434 OE1 GLN A 26 1.683 -16.048 -5.613 1.00 0.00 O ATOM 435 NE2 GLN A 26 1.415 -17.617 -4.120 1.00 0.00 N ATOM 0 H GLN A 26 3.925 -13.877 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 26 6.098 -15.628 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.541 -14.693 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.615 -15.905 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.149 -17.471 -4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.645 -16.233 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.809 -18.182 -3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.445 -17.752 -4.406 1.00 0.00 H new ATOM 444 N SER A 27 6.251 -12.645 -5.061 1.00 0.00 N ATOM 445 CA SER A 27 6.998 -11.706 -5.944 1.00 0.00 C ATOM 446 C SER A 27 8.486 -11.758 -5.598 1.00 0.00 C ATOM 447 O SER A 27 9.322 -11.260 -6.327 1.00 0.00 O ATOM 448 CB SER A 27 6.475 -10.284 -5.734 1.00 0.00 C ATOM 449 OG SER A 27 6.926 -9.456 -6.798 1.00 0.00 O ATOM 0 H SER A 27 5.789 -12.214 -4.261 1.00 0.00 H new ATOM 0 HA SER A 27 6.856 -11.995 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.386 -10.287 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.826 -9.892 -4.779 1.00 0.00 H new ATOM 0 HG SER A 27 7.882 -9.609 -6.949 1.00 0.00 H new ATOM 455 N GLY A 28 8.826 -12.357 -4.489 1.00 0.00 N ATOM 456 CA GLY A 28 10.261 -12.442 -4.095 1.00 0.00 C ATOM 457 C GLY A 28 10.764 -11.055 -3.692 1.00 0.00 C ATOM 458 O GLY A 28 10.001 -10.201 -3.289 1.00 0.00 O ATOM 0 H GLY A 28 8.171 -12.791 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.380 -13.139 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.854 -12.829 -4.924 1.00 0.00 H new ATOM 462 N LEU A 29 12.043 -10.824 -3.797 1.00 0.00 N ATOM 463 CA LEU A 29 12.593 -9.492 -3.419 1.00 0.00 C ATOM 464 C LEU A 29 12.323 -9.233 -1.937 1.00 0.00 C ATOM 465 O LEU A 29 11.610 -9.971 -1.286 1.00 0.00 O ATOM 466 CB LEU A 29 11.916 -8.405 -4.257 1.00 0.00 C ATOM 467 CG LEU A 29 12.271 -8.601 -5.731 1.00 0.00 C ATOM 468 CD1 LEU A 29 10.998 -8.531 -6.577 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.237 -7.499 -6.174 1.00 0.00 C ATOM 0 H LEU A 29 12.731 -11.500 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 29 13.667 -9.476 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.835 -8.449 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.239 -7.419 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 29 12.743 -9.575 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.251 -8.671 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.309 -9.315 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.526 -7.558 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.491 -7.638 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.765 -6.526 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.145 -7.547 -5.572 1.00 0.00 H new ATOM 481 N GLU A 30 12.888 -8.188 -1.399 1.00 0.00 N ATOM 482 CA GLU A 30 12.666 -7.878 0.042 1.00 0.00 C ATOM 483 C GLU A 30 11.890 -6.566 0.165 1.00 0.00 C ATOM 484 O GLU A 30 12.415 -5.498 -0.082 1.00 0.00 O ATOM 485 CB GLU A 30 14.018 -7.740 0.747 1.00 0.00 C ATOM 486 CG GLU A 30 14.338 -9.036 1.494 1.00 0.00 C ATOM 487 CD GLU A 30 14.793 -8.707 2.916 1.00 0.00 C ATOM 488 OE1 GLU A 30 15.396 -7.662 3.098 1.00 0.00 O ATOM 489 OE2 GLU A 30 14.530 -9.505 3.801 1.00 0.00 O ATOM 0 H GLU A 30 13.494 -7.535 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 30 12.095 -8.683 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.800 -7.525 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.993 -6.902 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.458 -9.679 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.119 -9.587 0.970 1.00 0.00 H new ATOM 496 N TRP A 31 10.644 -6.634 0.546 1.00 0.00 N ATOM 497 CA TRP A 31 9.841 -5.389 0.682 1.00 0.00 C ATOM 498 C TRP A 31 9.398 -5.223 2.136 1.00 0.00 C ATOM 499 O TRP A 31 9.259 -6.183 2.867 1.00 0.00 O ATOM 500 CB TRP A 31 8.608 -5.469 -0.220 1.00 0.00 C ATOM 501 CG TRP A 31 7.688 -6.538 0.277 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.939 -7.867 0.227 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.377 -6.393 0.897 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.866 -8.546 0.776 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.878 -7.681 1.203 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.580 -5.278 1.219 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.632 -7.857 1.808 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.326 -5.450 1.828 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.854 -6.738 2.122 1.00 0.00 C ATOM 0 H TRP A 31 10.149 -7.498 0.769 1.00 0.00 H new ATOM 0 HA TRP A 31 10.450 -4.534 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.092 -4.509 -0.233 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.909 -5.683 -1.246 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.831 -8.323 -0.176 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.811 -9.561 0.856 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.935 -4.283 0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.272 -8.850 2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.723 -4.588 2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.890 -6.865 2.591 1.00 0.00 H new ATOM 520 N ARG A 32 9.174 -4.010 2.557 1.00 0.00 N ATOM 521 CA ARG A 32 8.737 -3.777 3.962 1.00 0.00 C ATOM 522 C ARG A 32 7.640 -2.708 3.980 1.00 0.00 C ATOM 523 O ARG A 32 7.656 -1.796 3.177 1.00 0.00 O ATOM 524 CB ARG A 32 9.928 -3.299 4.794 1.00 0.00 C ATOM 525 CG ARG A 32 10.633 -4.506 5.418 1.00 0.00 C ATOM 526 CD ARG A 32 10.009 -4.816 6.780 1.00 0.00 C ATOM 527 NE ARG A 32 11.005 -5.520 7.634 1.00 0.00 N ATOM 528 CZ ARG A 32 10.728 -6.697 8.125 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.647 -7.732 7.332 1.00 0.00 N ATOM 530 NH2 ARG A 32 10.531 -6.840 9.408 1.00 0.00 N ATOM 0 H ARG A 32 9.275 -3.169 1.989 1.00 0.00 H new ATOM 0 HA ARG A 32 8.350 -4.705 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.624 -2.743 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.590 -2.618 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.545 -5.371 4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.697 -4.299 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.688 -3.893 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.121 -5.435 6.653 1.00 0.00 H new ATOM 0 HE ARG A 32 11.904 -5.082 7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.800 -7.620 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.431 -8.652 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.594 -6.032 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.315 -7.760 9.791 1.00 0.00 H new ATOM 544 N PRO A 33 6.720 -2.854 4.897 1.00 0.00 N ATOM 545 CA PRO A 33 5.595 -1.916 5.047 1.00 0.00 C ATOM 546 C PRO A 33 6.050 -0.649 5.776 1.00 0.00 C ATOM 547 O PRO A 33 6.904 -0.690 6.639 1.00 0.00 O ATOM 548 CB PRO A 33 4.587 -2.698 5.894 1.00 0.00 C ATOM 549 CG PRO A 33 5.397 -3.780 6.647 1.00 0.00 C ATOM 550 CD PRO A 33 6.712 -3.968 5.868 1.00 0.00 C ATOM 0 HA PRO A 33 5.181 -1.587 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.074 -2.039 6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.821 -3.153 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.596 -3.471 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.840 -4.715 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.577 -3.925 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.743 -4.935 5.365 1.00 0.00 H new ATOM 558 N ALA A 34 5.482 0.475 5.439 1.00 0.00 N ATOM 559 CA ALA A 34 5.879 1.742 6.114 1.00 0.00 C ATOM 560 C ALA A 34 4.622 2.473 6.589 1.00 0.00 C ATOM 561 O ALA A 34 3.609 1.865 6.873 1.00 0.00 O ATOM 562 CB ALA A 34 6.648 2.627 5.132 1.00 0.00 C ATOM 0 H ALA A 34 4.760 0.571 4.725 1.00 0.00 H new ATOM 0 HA ALA A 34 6.517 1.518 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.938 3.554 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.541 2.103 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.014 2.856 4.276 1.00 0.00 H new ATOM 568 N THR A 35 4.677 3.773 6.680 1.00 0.00 N ATOM 569 CA THR A 35 3.483 4.537 7.136 1.00 0.00 C ATOM 570 C THR A 35 3.146 5.618 6.106 1.00 0.00 C ATOM 571 O THR A 35 3.922 5.878 5.208 1.00 0.00 O ATOM 572 CB THR A 35 3.783 5.194 8.486 1.00 0.00 C ATOM 573 OG1 THR A 35 5.184 5.163 8.723 1.00 0.00 O ATOM 574 CG2 THR A 35 3.058 4.435 9.598 1.00 0.00 C ATOM 0 H THR A 35 5.496 4.338 6.458 1.00 0.00 H new ATOM 0 HA THR A 35 2.636 3.859 7.242 1.00 0.00 H new ATOM 0 HB THR A 35 3.438 6.228 8.473 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.379 5.585 9.586 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.273 4.904 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.984 4.459 9.414 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.400 3.400 9.615 1.00 0.00 H new ATOM 582 N PRO A 36 1.993 6.217 6.269 1.00 0.00 N ATOM 583 CA PRO A 36 1.517 7.281 5.368 1.00 0.00 C ATOM 584 C PRO A 36 2.215 8.604 5.694 1.00 0.00 C ATOM 585 O PRO A 36 1.616 9.519 6.224 1.00 0.00 O ATOM 586 CB PRO A 36 0.020 7.367 5.675 1.00 0.00 C ATOM 587 CG PRO A 36 -0.169 6.777 7.092 1.00 0.00 C ATOM 588 CD PRO A 36 1.059 5.887 7.365 1.00 0.00 C ATOM 0 HA PRO A 36 1.721 7.078 4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.326 8.400 5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.560 6.808 4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.245 7.571 7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.089 6.196 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.497 6.100 8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.794 4.830 7.359 1.00 0.00 H new ATOM 596 N GLU A 37 3.478 8.709 5.385 1.00 0.00 N ATOM 597 CA GLU A 37 4.215 9.970 5.679 1.00 0.00 C ATOM 598 C GLU A 37 5.618 9.885 5.079 1.00 0.00 C ATOM 599 O GLU A 37 6.159 10.863 4.599 1.00 0.00 O ATOM 600 CB GLU A 37 4.315 10.160 7.194 1.00 0.00 C ATOM 601 CG GLU A 37 3.246 11.151 7.657 1.00 0.00 C ATOM 602 CD GLU A 37 2.496 10.571 8.858 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.081 9.767 9.566 1.00 0.00 O ATOM 604 OE2 GLU A 37 1.349 10.939 9.049 1.00 0.00 O ATOM 0 H GLU A 37 4.032 7.976 4.942 1.00 0.00 H new ATOM 0 HA GLU A 37 3.683 10.816 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.183 9.204 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.306 10.527 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.708 12.100 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.549 11.356 6.844 1.00 0.00 H new ATOM 611 N ASP A 38 6.212 8.723 5.098 1.00 0.00 N ATOM 612 CA ASP A 38 7.579 8.576 4.525 1.00 0.00 C ATOM 613 C ASP A 38 7.646 7.294 3.692 1.00 0.00 C ATOM 614 O ASP A 38 8.691 6.691 3.545 1.00 0.00 O ATOM 615 CB ASP A 38 8.606 8.506 5.658 1.00 0.00 C ATOM 616 CG ASP A 38 9.704 9.544 5.417 1.00 0.00 C ATOM 617 OD1 ASP A 38 9.894 9.921 4.272 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.335 9.946 6.381 1.00 0.00 O ATOM 0 H ASP A 38 5.809 7.870 5.486 1.00 0.00 H new ATOM 0 HA ASP A 38 7.801 9.434 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.120 8.691 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.040 7.507 5.709 1.00 0.00 H new ATOM 623 N ALA A 39 6.539 6.873 3.145 1.00 0.00 N ATOM 624 CA ALA A 39 6.539 5.632 2.320 1.00 0.00 C ATOM 625 C ALA A 39 7.117 5.944 0.938 1.00 0.00 C ATOM 626 O ALA A 39 6.509 6.631 0.141 1.00 0.00 O ATOM 627 CB ALA A 39 5.106 5.115 2.173 1.00 0.00 C ATOM 0 H ALA A 39 5.634 7.335 3.234 1.00 0.00 H new ATOM 0 HA ALA A 39 7.148 4.870 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.107 4.207 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.696 4.895 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.494 5.874 1.686 1.00 0.00 H new ATOM 633 N ASP A 40 8.288 5.446 0.649 1.00 0.00 N ATOM 634 CA ASP A 40 8.908 5.715 -0.679 1.00 0.00 C ATOM 635 C ASP A 40 7.914 5.372 -1.791 1.00 0.00 C ATOM 636 O ASP A 40 7.713 6.136 -2.713 1.00 0.00 O ATOM 637 CB ASP A 40 10.166 4.860 -0.837 1.00 0.00 C ATOM 638 CG ASP A 40 11.330 5.521 -0.099 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.172 5.814 1.075 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.360 5.724 -0.720 1.00 0.00 O ATOM 0 H ASP A 40 8.843 4.864 1.276 1.00 0.00 H new ATOM 0 HA ASP A 40 9.174 6.770 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.991 3.860 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.410 4.745 -1.893 1.00 0.00 H new ATOM 645 N ALA A 41 7.294 4.226 -1.716 1.00 0.00 N ATOM 646 CA ALA A 41 6.320 3.838 -2.776 1.00 0.00 C ATOM 647 C ALA A 41 4.937 3.627 -2.157 1.00 0.00 C ATOM 648 O ALA A 41 4.810 3.238 -1.012 1.00 0.00 O ATOM 649 CB ALA A 41 6.782 2.539 -3.440 1.00 0.00 C ATOM 0 H ALA A 41 7.419 3.543 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 41 6.264 4.632 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.071 2.254 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.765 2.688 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.839 1.748 -2.692 1.00 0.00 H new ATOM 655 N VAL A 42 3.897 3.878 -2.906 1.00 0.00 N ATOM 656 CA VAL A 42 2.522 3.691 -2.363 1.00 0.00 C ATOM 657 C VAL A 42 1.691 2.870 -3.352 1.00 0.00 C ATOM 658 O VAL A 42 1.341 3.336 -4.418 1.00 0.00 O ATOM 659 CB VAL A 42 1.868 5.059 -2.155 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.459 4.874 -1.588 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.706 5.878 -1.172 1.00 0.00 C ATOM 0 H VAL A 42 3.941 4.205 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 42 2.574 3.165 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 42 1.809 5.581 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.005 5.849 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.140 4.289 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.517 4.352 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.242 6.853 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.764 5.354 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.710 6.012 -1.574 1.00 0.00 H new ATOM 671 N ILE A 43 1.372 1.651 -3.009 1.00 0.00 N ATOM 672 CA ILE A 43 0.565 0.801 -3.931 1.00 0.00 C ATOM 673 C ILE A 43 -0.924 0.982 -3.624 1.00 0.00 C ATOM 674 O ILE A 43 -1.381 0.698 -2.535 1.00 0.00 O ATOM 675 CB ILE A 43 0.950 -0.667 -3.739 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.402 -0.876 -4.177 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.032 -1.551 -4.587 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.875 -2.260 -3.730 1.00 0.00 C ATOM 0 H ILE A 43 1.636 1.207 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 43 0.761 1.097 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 43 0.844 -0.934 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.483 -0.784 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.039 -0.105 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.306 -2.597 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.003 -1.404 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.138 -1.283 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.909 -2.409 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.809 -2.334 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.245 -3.024 -4.185 1.00 0.00 H new ATOM 690 N VAL A 44 -1.684 1.453 -4.575 1.00 0.00 N ATOM 691 CA VAL A 44 -3.141 1.653 -4.335 1.00 0.00 C ATOM 692 C VAL A 44 -3.931 0.524 -5.000 1.00 0.00 C ATOM 693 O VAL A 44 -3.788 0.262 -6.179 1.00 0.00 O ATOM 694 CB VAL A 44 -3.572 2.993 -4.928 1.00 0.00 C ATOM 695 CG1 VAL A 44 -4.960 3.364 -4.401 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.567 4.073 -4.523 1.00 0.00 C ATOM 0 H VAL A 44 -1.359 1.708 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.336 1.647 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.607 2.916 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.266 4.320 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.676 2.594 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.928 3.442 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.872 5.031 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.533 4.150 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.578 3.809 -4.899 1.00 0.00 H new ATOM 706 N LEU A 45 -4.767 -0.143 -4.253 1.00 0.00 N ATOM 707 CA LEU A 45 -5.570 -1.252 -4.838 1.00 0.00 C ATOM 708 C LEU A 45 -6.913 -0.702 -5.328 1.00 0.00 C ATOM 709 O LEU A 45 -7.593 0.018 -4.624 1.00 0.00 O ATOM 710 CB LEU A 45 -5.817 -2.322 -3.771 1.00 0.00 C ATOM 711 CG LEU A 45 -4.558 -3.174 -3.599 1.00 0.00 C ATOM 712 CD1 LEU A 45 -4.360 -4.050 -4.836 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.343 -2.260 -3.424 1.00 0.00 C ATOM 0 H LEU A 45 -4.928 0.033 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.028 -1.692 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.082 -1.852 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.658 -2.952 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.668 -3.808 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.463 -4.657 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.224 -4.702 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.251 -3.417 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.446 -2.867 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.235 -1.626 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.482 -1.635 -2.542 1.00 0.00 H new ATOM 725 N ALA A 46 -7.300 -1.034 -6.530 1.00 0.00 N ATOM 726 CA ALA A 46 -8.597 -0.527 -7.060 1.00 0.00 C ATOM 727 C ALA A 46 -9.709 -1.530 -6.747 1.00 0.00 C ATOM 728 O ALA A 46 -10.840 -1.369 -7.163 1.00 0.00 O ATOM 729 CB ALA A 46 -8.490 -0.338 -8.575 1.00 0.00 C ATOM 0 H ALA A 46 -6.775 -1.633 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.831 0.428 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.439 0.033 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.701 0.381 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.254 -1.293 -9.045 1.00 0.00 H new ATOM 735 N GLY A 47 -9.401 -2.566 -6.013 1.00 0.00 N ATOM 736 CA GLY A 47 -10.443 -3.575 -5.673 1.00 0.00 C ATOM 737 C GLY A 47 -11.322 -3.038 -4.541 1.00 0.00 C ATOM 738 O GLY A 47 -12.434 -3.485 -4.340 1.00 0.00 O ATOM 0 H GLY A 47 -8.473 -2.756 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.053 -3.793 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.973 -4.511 -5.371 1.00 0.00 H new ATOM 742 N LEU A 48 -10.831 -2.083 -3.801 1.00 0.00 N ATOM 743 CA LEU A 48 -11.638 -1.515 -2.683 1.00 0.00 C ATOM 744 C LEU A 48 -12.050 -0.085 -3.036 1.00 0.00 C ATOM 745 O LEU A 48 -12.072 0.792 -2.196 1.00 0.00 O ATOM 746 CB LEU A 48 -10.799 -1.505 -1.403 1.00 0.00 C ATOM 747 CG LEU A 48 -9.417 -0.923 -1.704 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.076 0.146 -0.664 1.00 0.00 C ATOM 749 CD2 LEU A 48 -8.371 -2.039 -1.647 1.00 0.00 C ATOM 0 H LEU A 48 -9.906 -1.671 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.528 -2.124 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.295 -0.912 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.702 -2.518 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.420 -0.476 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.091 0.561 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.821 0.941 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.073 -0.301 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.386 -1.625 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.369 -2.485 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.613 -2.802 -2.387 1.00 0.00 H new ATOM 761 N TRP A 49 -12.372 0.155 -4.276 1.00 0.00 N ATOM 762 CA TRP A 49 -12.778 1.524 -4.696 1.00 0.00 C ATOM 763 C TRP A 49 -14.248 1.761 -4.338 1.00 0.00 C ATOM 764 O TRP A 49 -14.712 2.883 -4.295 1.00 0.00 O ATOM 765 CB TRP A 49 -12.592 1.662 -6.208 1.00 0.00 C ATOM 766 CG TRP A 49 -12.924 3.056 -6.631 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.176 3.538 -6.809 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.016 4.152 -6.934 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.094 4.861 -7.202 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.784 5.286 -7.294 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.613 4.273 -6.932 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.182 6.496 -7.642 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.003 5.489 -7.281 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.786 6.599 -7.634 1.00 0.00 C ATOM 0 H TRP A 49 -12.371 -0.542 -5.020 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.161 2.260 -4.181 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.564 1.424 -6.481 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.233 0.951 -6.729 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.090 2.980 -6.667 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.902 5.451 -7.400 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.002 3.425 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.789 7.347 -7.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.926 5.570 -7.278 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.312 7.532 -7.899 1.00 0.00 H new ATOM 785 N GLY A 50 -14.986 0.715 -4.085 1.00 0.00 N ATOM 786 CA GLY A 50 -16.424 0.888 -3.734 1.00 0.00 C ATOM 787 C GLY A 50 -16.613 0.700 -2.228 1.00 0.00 C ATOM 788 O GLY A 50 -17.721 0.597 -1.740 1.00 0.00 O ATOM 0 H GLY A 50 -14.656 -0.250 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.764 1.880 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.031 0.165 -4.280 1.00 0.00 H new ATOM 792 N THR A 51 -15.541 0.654 -1.486 1.00 0.00 N ATOM 793 CA THR A 51 -15.665 0.473 -0.012 1.00 0.00 C ATOM 794 C THR A 51 -14.974 1.633 0.707 1.00 0.00 C ATOM 795 O THR A 51 -15.586 2.362 1.462 1.00 0.00 O ATOM 796 CB THR A 51 -15.007 -0.846 0.399 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.817 -1.035 -0.355 1.00 0.00 O ATOM 798 CG2 THR A 51 -15.971 -2.004 0.136 1.00 0.00 C ATOM 0 H THR A 51 -14.586 0.734 -1.836 1.00 0.00 H new ATOM 0 HA THR A 51 -16.720 0.454 0.262 1.00 0.00 H new ATOM 0 HB THR A 51 -14.763 -0.815 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.393 -1.879 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.501 -2.943 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.882 -1.858 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.218 -2.038 -0.925 1.00 0.00 H new ATOM 806 N ARG A 52 -13.702 1.810 0.480 1.00 0.00 N ATOM 807 CA ARG A 52 -12.974 2.923 1.154 1.00 0.00 C ATOM 808 C ARG A 52 -12.461 3.911 0.104 1.00 0.00 C ATOM 809 O ARG A 52 -11.291 4.231 0.059 1.00 0.00 O ATOM 810 CB ARG A 52 -11.792 2.356 1.943 1.00 0.00 C ATOM 811 CG ARG A 52 -12.036 2.547 3.441 1.00 0.00 C ATOM 812 CD ARG A 52 -12.789 1.336 3.997 1.00 0.00 C ATOM 813 NE ARG A 52 -13.253 1.630 5.383 1.00 0.00 N ATOM 814 CZ ARG A 52 -12.726 0.999 6.396 1.00 0.00 C ATOM 815 NH1 ARG A 52 -11.438 1.045 6.595 1.00 0.00 N ATOM 816 NH2 ARG A 52 -13.487 0.320 7.212 1.00 0.00 N ATOM 0 H ARG A 52 -13.135 1.233 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.651 3.439 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.665 1.297 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.870 2.858 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.086 2.668 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.612 3.456 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.641 1.101 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.140 0.460 3.998 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.983 2.325 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.842 1.574 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.026 0.552 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.495 0.283 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.074 -0.173 8.004 1.00 0.00 H new ATOM 830 N ARG A 53 -13.329 4.398 -0.741 1.00 0.00 N ATOM 831 CA ARG A 53 -12.887 5.366 -1.784 1.00 0.00 C ATOM 832 C ARG A 53 -12.251 6.582 -1.108 1.00 0.00 C ATOM 833 O ARG A 53 -11.184 7.024 -1.482 1.00 0.00 O ATOM 834 CB ARG A 53 -14.096 5.814 -2.607 1.00 0.00 C ATOM 835 CG ARG A 53 -13.619 6.409 -3.932 1.00 0.00 C ATOM 836 CD ARG A 53 -14.388 7.700 -4.216 1.00 0.00 C ATOM 837 NE ARG A 53 -13.573 8.580 -5.100 1.00 0.00 N ATOM 838 CZ ARG A 53 -14.162 9.387 -5.939 1.00 0.00 C ATOM 839 NH1 ARG A 53 -14.701 8.915 -7.030 1.00 0.00 N ATOM 840 NH2 ARG A 53 -14.211 10.667 -5.688 1.00 0.00 N ATOM 0 H ARG A 53 -14.323 4.168 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.158 4.890 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.756 4.967 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.674 6.553 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.549 6.612 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.774 5.695 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.341 7.471 -4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.614 8.214 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.555 8.551 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.662 7.915 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.161 9.546 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.789 11.036 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.671 11.298 -6.344 1.00 0.00 H new ATOM 854 N ASP A 54 -12.899 7.125 -0.115 1.00 0.00 N ATOM 855 CA ASP A 54 -12.331 8.310 0.586 1.00 0.00 C ATOM 856 C ASP A 54 -10.886 8.016 0.992 1.00 0.00 C ATOM 857 O ASP A 54 -10.015 8.854 0.878 1.00 0.00 O ATOM 858 CB ASP A 54 -13.163 8.609 1.836 1.00 0.00 C ATOM 859 CG ASP A 54 -14.468 9.295 1.429 1.00 0.00 C ATOM 860 OD1 ASP A 54 -14.615 9.598 0.256 1.00 0.00 O ATOM 861 OD2 ASP A 54 -15.298 9.508 2.298 1.00 0.00 O ATOM 0 H ASP A 54 -13.797 6.799 0.241 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.353 9.173 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.378 7.685 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.600 9.249 2.516 1.00 0.00 H new ATOM 866 N GLU A 55 -10.626 6.828 1.466 1.00 0.00 N ATOM 867 CA GLU A 55 -9.238 6.479 1.880 1.00 0.00 C ATOM 868 C GLU A 55 -8.316 6.510 0.660 1.00 0.00 C ATOM 869 O GLU A 55 -7.205 6.998 0.722 1.00 0.00 O ATOM 870 CB GLU A 55 -9.227 5.076 2.490 1.00 0.00 C ATOM 871 CG GLU A 55 -8.607 5.131 3.888 1.00 0.00 C ATOM 872 CD GLU A 55 -8.495 3.715 4.455 1.00 0.00 C ATOM 873 OE1 GLU A 55 -8.601 2.779 3.680 1.00 0.00 O ATOM 874 OE2 GLU A 55 -8.305 3.592 5.653 1.00 0.00 O ATOM 0 H GLU A 55 -11.314 6.085 1.584 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.888 7.201 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.243 4.685 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.658 4.396 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.621 5.594 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.219 5.749 4.544 1.00 0.00 H new ATOM 881 N ILE A 56 -8.765 5.991 -0.449 1.00 0.00 N ATOM 882 CA ILE A 56 -7.913 5.992 -1.672 1.00 0.00 C ATOM 883 C ILE A 56 -7.561 7.433 -2.047 1.00 0.00 C ATOM 884 O ILE A 56 -6.409 7.819 -2.063 1.00 0.00 O ATOM 885 CB ILE A 56 -8.674 5.341 -2.830 1.00 0.00 C ATOM 886 CG1 ILE A 56 -9.275 4.010 -2.369 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.714 5.088 -3.993 1.00 0.00 C ATOM 888 CD1 ILE A 56 -8.178 3.136 -1.759 1.00 0.00 C ATOM 0 H ILE A 56 -9.685 5.566 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.000 5.430 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.474 6.007 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.061 4.189 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.737 3.496 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.256 4.624 -4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.288 6.035 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.913 4.424 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.607 2.189 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.407 2.946 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.737 3.649 -0.905 1.00 0.00 H new ATOM 900 N LEU A 57 -8.549 8.228 -2.355 1.00 0.00 N ATOM 901 CA LEU A 57 -8.283 9.644 -2.735 1.00 0.00 C ATOM 902 C LEU A 57 -7.267 10.258 -1.770 1.00 0.00 C ATOM 903 O LEU A 57 -6.491 11.118 -2.136 1.00 0.00 O ATOM 904 CB LEU A 57 -9.590 10.436 -2.669 1.00 0.00 C ATOM 905 CG LEU A 57 -9.488 11.673 -3.563 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.313 11.455 -4.833 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.030 12.890 -2.810 1.00 0.00 C ATOM 0 H LEU A 57 -9.532 7.957 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.881 9.678 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.422 9.810 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.794 10.734 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.445 11.842 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.240 12.337 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.931 10.587 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.356 11.286 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.958 13.773 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.073 12.718 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.445 13.047 -1.904 1.00 0.00 H new ATOM 919 N GLY A 58 -7.266 9.829 -0.537 1.00 0.00 N ATOM 920 CA GLY A 58 -6.302 10.396 0.449 1.00 0.00 C ATOM 921 C GLY A 58 -4.880 9.953 0.097 1.00 0.00 C ATOM 922 O GLY A 58 -4.019 10.763 -0.185 1.00 0.00 O ATOM 0 H GLY A 58 -7.891 9.111 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.364 11.484 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.558 10.063 1.455 1.00 0.00 H new ATOM 926 N ALA A 59 -4.625 8.673 0.117 1.00 0.00 N ATOM 927 CA ALA A 59 -3.256 8.180 -0.212 1.00 0.00 C ATOM 928 C ALA A 59 -2.746 8.874 -1.478 1.00 0.00 C ATOM 929 O ALA A 59 -1.573 9.167 -1.606 1.00 0.00 O ATOM 930 CB ALA A 59 -3.303 6.668 -0.445 1.00 0.00 C ATOM 0 H ALA A 59 -5.304 7.948 0.347 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.584 8.403 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.304 6.306 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.661 6.172 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.978 6.448 -1.273 1.00 0.00 H new ATOM 936 N VAL A 60 -3.614 9.134 -2.415 1.00 0.00 N ATOM 937 CA VAL A 60 -3.177 9.804 -3.675 1.00 0.00 C ATOM 938 C VAL A 60 -2.756 11.244 -3.376 1.00 0.00 C ATOM 939 O VAL A 60 -1.613 11.616 -3.552 1.00 0.00 O ATOM 940 CB VAL A 60 -4.335 9.809 -4.674 1.00 0.00 C ATOM 941 CG1 VAL A 60 -3.936 10.612 -5.913 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.661 8.371 -5.082 1.00 0.00 C ATOM 0 H VAL A 60 -4.608 8.912 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.331 9.262 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.211 10.264 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.761 10.616 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.702 11.636 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.060 10.157 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.486 8.373 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.785 7.916 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.945 7.798 -4.199 1.00 0.00 H new ATOM 952 N ASP A 61 -3.671 12.061 -2.929 1.00 0.00 N ATOM 953 CA ASP A 61 -3.324 13.478 -2.624 1.00 0.00 C ATOM 954 C ASP A 61 -1.984 13.537 -1.884 1.00 0.00 C ATOM 955 O ASP A 61 -1.239 14.489 -2.007 1.00 0.00 O ATOM 956 CB ASP A 61 -4.418 14.089 -1.745 1.00 0.00 C ATOM 957 CG ASP A 61 -4.208 15.600 -1.642 1.00 0.00 C ATOM 958 OD1 ASP A 61 -4.539 16.290 -2.591 1.00 0.00 O ATOM 959 OD2 ASP A 61 -3.720 16.042 -0.614 1.00 0.00 O ATOM 0 H ASP A 61 -4.645 11.808 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.244 14.038 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.400 13.876 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.394 13.640 -0.752 1.00 0.00 H new ATOM 964 N LEU A 62 -1.672 12.528 -1.117 1.00 0.00 N ATOM 965 CA LEU A 62 -0.381 12.530 -0.369 1.00 0.00 C ATOM 966 C LEU A 62 0.766 12.192 -1.324 1.00 0.00 C ATOM 967 O LEU A 62 1.820 12.797 -1.283 1.00 0.00 O ATOM 968 CB LEU A 62 -0.439 11.487 0.749 1.00 0.00 C ATOM 969 CG LEU A 62 0.879 11.496 1.525 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.956 12.757 2.389 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.947 10.260 2.426 1.00 0.00 C ATOM 0 H LEU A 62 -2.254 11.703 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.213 13.517 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.270 11.704 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.619 10.498 0.329 1.00 0.00 H new ATOM 0 HG LEU A 62 1.713 11.484 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.895 12.763 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.905 13.639 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.122 12.769 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.886 10.265 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.112 10.274 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.892 9.360 1.814 1.00 0.00 H new ATOM 983 N ALA A 63 0.572 11.228 -2.181 1.00 0.00 N ATOM 984 CA ALA A 63 1.653 10.848 -3.135 1.00 0.00 C ATOM 985 C ALA A 63 1.961 12.027 -4.063 1.00 0.00 C ATOM 986 O ALA A 63 3.081 12.489 -4.143 1.00 0.00 O ATOM 987 CB ALA A 63 1.196 9.650 -3.971 1.00 0.00 C ATOM 0 H ALA A 63 -0.289 10.686 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 63 2.551 10.584 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.985 9.371 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.979 8.808 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.297 9.916 -4.527 1.00 0.00 H new ATOM 993 N ARG A 64 0.976 12.518 -4.767 1.00 0.00 N ATOM 994 CA ARG A 64 1.217 13.663 -5.689 1.00 0.00 C ATOM 995 C ARG A 64 1.665 14.888 -4.887 1.00 0.00 C ATOM 996 O ARG A 64 2.150 15.856 -5.436 1.00 0.00 O ATOM 997 CB ARG A 64 -0.075 13.994 -6.441 1.00 0.00 C ATOM 998 CG ARG A 64 0.262 14.745 -7.731 1.00 0.00 C ATOM 999 CD ARG A 64 -0.915 15.637 -8.127 1.00 0.00 C ATOM 1000 NE ARG A 64 -0.468 16.625 -9.150 1.00 0.00 N ATOM 1001 CZ ARG A 64 -0.044 16.212 -10.313 1.00 0.00 C ATOM 1002 NH1 ARG A 64 1.165 15.733 -10.434 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -0.827 16.278 -11.353 1.00 0.00 N ATOM 0 H ARG A 64 0.016 12.175 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 64 1.996 13.392 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.618 13.078 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.728 14.602 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.158 15.349 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.479 14.036 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.728 15.029 -8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.303 16.156 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.494 17.623 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.777 15.682 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.497 15.410 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.771 16.652 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.496 15.955 -12.262 1.00 0.00 H new ATOM 1017 N LYS A 65 1.508 14.854 -3.592 1.00 0.00 N ATOM 1018 CA LYS A 65 1.926 16.019 -2.762 1.00 0.00 C ATOM 1019 C LYS A 65 3.325 16.469 -3.190 1.00 0.00 C ATOM 1020 O LYS A 65 3.684 17.622 -3.061 1.00 0.00 O ATOM 1021 CB LYS A 65 1.948 15.618 -1.286 1.00 0.00 C ATOM 1022 CG LYS A 65 2.052 16.875 -0.419 1.00 0.00 C ATOM 1023 CD LYS A 65 1.965 16.487 1.059 1.00 0.00 C ATOM 1024 CE LYS A 65 3.375 16.343 1.634 1.00 0.00 C ATOM 1025 NZ LYS A 65 3.510 17.208 2.840 1.00 0.00 N ATOM 0 H LYS A 65 1.109 14.071 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 65 1.219 16.837 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.044 15.064 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.792 14.957 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.993 17.388 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.251 17.570 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.411 17.245 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.419 15.550 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.568 15.303 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.115 16.626 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.469 17.111 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.343 18.200 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.813 16.918 3.555 1.00 0.00 H new ATOM 1039 N SER A 66 4.118 15.564 -3.698 1.00 0.00 N ATOM 1040 CA SER A 66 5.492 15.936 -4.134 1.00 0.00 C ATOM 1041 C SER A 66 5.828 15.205 -5.436 1.00 0.00 C ATOM 1042 O SER A 66 5.902 15.800 -6.492 1.00 0.00 O ATOM 1043 CB SER A 66 6.497 15.535 -3.052 1.00 0.00 C ATOM 1044 OG SER A 66 6.620 16.593 -2.110 1.00 0.00 O ATOM 0 H SER A 66 3.872 14.583 -3.829 1.00 0.00 H new ATOM 0 HA SER A 66 5.543 17.013 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.167 14.624 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.466 15.318 -3.502 1.00 0.00 H new ATOM 0 HG SER A 66 5.818 17.155 -2.142 1.00 0.00 H new ATOM 1050 N SER A 67 6.031 13.918 -5.366 1.00 0.00 N ATOM 1051 CA SER A 67 6.362 13.147 -6.597 1.00 0.00 C ATOM 1052 C SER A 67 6.522 11.666 -6.245 1.00 0.00 C ATOM 1053 O SER A 67 7.319 10.962 -6.831 1.00 0.00 O ATOM 1054 CB SER A 67 7.671 13.672 -7.192 1.00 0.00 C ATOM 1055 OG SER A 67 7.603 13.604 -8.610 1.00 0.00 O ATOM 0 H SER A 67 5.982 13.367 -4.509 1.00 0.00 H new ATOM 0 HA SER A 67 5.559 13.264 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.842 14.700 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.512 13.082 -6.828 1.00 0.00 H new ATOM 0 HG SER A 67 8.439 13.941 -8.994 1.00 0.00 H new ATOM 1061 N LYS A 68 5.770 11.190 -5.291 1.00 0.00 N ATOM 1062 CA LYS A 68 5.879 9.755 -4.900 1.00 0.00 C ATOM 1063 C LYS A 68 5.284 8.878 -6.008 1.00 0.00 C ATOM 1064 O LYS A 68 4.348 9.274 -6.673 1.00 0.00 O ATOM 1065 CB LYS A 68 5.113 9.525 -3.596 1.00 0.00 C ATOM 1066 CG LYS A 68 6.041 9.785 -2.406 1.00 0.00 C ATOM 1067 CD LYS A 68 5.230 10.351 -1.237 1.00 0.00 C ATOM 1068 CE LYS A 68 5.181 11.877 -1.340 1.00 0.00 C ATOM 1069 NZ LYS A 68 4.842 12.456 -0.009 1.00 0.00 N ATOM 0 H LYS A 68 5.085 11.732 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 68 6.927 9.494 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.248 10.187 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.735 8.503 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.533 8.860 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.826 10.486 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.220 9.943 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.681 10.054 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.143 12.260 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.439 12.178 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.809 13.493 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.914 12.100 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.566 12.179 0.685 1.00 0.00 H new ATOM 1083 N PRO A 69 5.852 7.710 -6.173 1.00 0.00 N ATOM 1084 CA PRO A 69 5.407 6.747 -7.195 1.00 0.00 C ATOM 1085 C PRO A 69 4.140 6.019 -6.734 1.00 0.00 C ATOM 1086 O PRO A 69 4.104 5.425 -5.674 1.00 0.00 O ATOM 1087 CB PRO A 69 6.584 5.774 -7.309 1.00 0.00 C ATOM 1088 CG PRO A 69 7.371 5.887 -5.983 1.00 0.00 C ATOM 1089 CD PRO A 69 6.991 7.242 -5.357 1.00 0.00 C ATOM 0 HA PRO A 69 5.155 7.219 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.232 4.755 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.217 6.027 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.118 5.066 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.444 5.832 -6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.712 7.133 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.823 7.945 -5.394 1.00 0.00 H new ATOM 1097 N ILE A 70 3.102 6.062 -7.524 1.00 0.00 N ATOM 1098 CA ILE A 70 1.839 5.376 -7.135 1.00 0.00 C ATOM 1099 C ILE A 70 1.618 4.161 -8.037 1.00 0.00 C ATOM 1100 O ILE A 70 1.581 4.273 -9.247 1.00 0.00 O ATOM 1101 CB ILE A 70 0.664 6.341 -7.291 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.874 7.552 -6.379 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.635 5.632 -6.905 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.447 8.823 -7.116 1.00 0.00 C ATOM 0 H ILE A 70 3.075 6.543 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 70 1.910 5.052 -6.097 1.00 0.00 H new ATOM 0 HB ILE A 70 0.602 6.672 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.294 7.437 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.921 7.623 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.472 6.321 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.786 4.770 -7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.574 5.300 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.596 9.687 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.047 8.939 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.606 8.750 -7.387 1.00 0.00 H new ATOM 1116 N ILE A 71 1.464 3.001 -7.461 1.00 0.00 N ATOM 1117 CA ILE A 71 1.239 1.784 -8.290 1.00 0.00 C ATOM 1118 C ILE A 71 -0.264 1.553 -8.452 1.00 0.00 C ATOM 1119 O ILE A 71 -0.947 1.167 -7.524 1.00 0.00 O ATOM 1120 CB ILE A 71 1.869 0.570 -7.604 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.132 1.004 -6.856 1.00 0.00 C ATOM 1122 CG2 ILE A 71 2.238 -0.475 -8.658 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.040 1.796 -7.798 1.00 0.00 C ATOM 0 H ILE A 71 1.484 2.843 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 71 1.697 1.923 -9.269 1.00 0.00 H new ATOM 0 HB ILE A 71 1.157 0.142 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.864 1.615 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.660 0.130 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.687 -1.340 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.340 -0.785 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.950 -0.045 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.939 2.104 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.319 1.170 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.511 2.679 -8.157 1.00 0.00 H new ATOM 1135 N THR A 72 -0.788 1.792 -9.623 1.00 0.00 N ATOM 1136 CA THR A 72 -2.248 1.592 -9.840 1.00 0.00 C ATOM 1137 C THR A 72 -2.533 0.111 -10.099 1.00 0.00 C ATOM 1138 O THR A 72 -2.200 -0.422 -11.139 1.00 0.00 O ATOM 1139 CB THR A 72 -2.702 2.417 -11.047 1.00 0.00 C ATOM 1140 OG1 THR A 72 -2.568 3.799 -10.751 1.00 0.00 O ATOM 1141 CG2 THR A 72 -4.164 2.098 -11.361 1.00 0.00 C ATOM 0 H THR A 72 -0.268 2.117 -10.438 1.00 0.00 H new ATOM 0 HA THR A 72 -2.792 1.914 -8.952 1.00 0.00 H new ATOM 0 HB THR A 72 -2.085 2.170 -11.911 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.971 4.328 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.488 2.685 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.264 1.037 -11.588 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.784 2.345 -10.499 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.152 -0.556 -9.163 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.462 -2.000 -9.360 1.00 0.00 C ATOM 1151 C VAL A 73 -4.920 -2.146 -9.799 1.00 0.00 C ATOM 1152 O VAL A 73 -5.835 -1.976 -9.018 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.246 -2.751 -8.046 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.515 -4.242 -8.257 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.800 -2.557 -7.582 1.00 0.00 C ATOM 0 H VAL A 73 -3.456 -0.164 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.806 -2.415 -10.125 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.929 -2.363 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.361 -4.776 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.543 -4.383 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.833 -4.631 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.644 -3.092 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.120 -2.946 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.606 -1.495 -7.431 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.145 -2.458 -11.047 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.543 -2.612 -11.537 1.00 0.00 C ATOM 1167 C ARG A 74 -7.325 -3.516 -10.577 1.00 0.00 C ATOM 1168 O ARG A 74 -6.740 -4.239 -9.796 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.525 -3.226 -12.944 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.314 -4.741 -12.854 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.335 -5.344 -14.260 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.693 -6.788 -14.178 1.00 0.00 N ATOM 1173 CZ ARG A 74 -7.902 -7.180 -14.478 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -8.931 -6.462 -14.119 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -8.081 -8.292 -15.139 1.00 0.00 N ATOM 0 H ARG A 74 -4.420 -2.613 -11.748 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.028 -1.637 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.464 -3.011 -13.455 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.729 -2.775 -13.536 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.363 -4.958 -12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.095 -5.192 -12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.056 -4.815 -14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.359 -5.227 -14.732 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.993 -7.471 -13.887 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.792 -5.593 -13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.875 -6.770 -14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.277 -8.853 -15.420 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.025 -8.599 -15.374 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.628 -3.447 -10.668 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.526 -4.248 -9.821 1.00 0.00 C ATOM 1191 C PRO A 75 -9.600 -5.687 -10.341 1.00 0.00 C ATOM 1192 O PRO A 75 -8.757 -6.126 -11.098 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.877 -3.543 -9.960 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.819 -2.745 -11.285 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.328 -2.562 -11.624 1.00 0.00 C ATOM 0 HA PRO A 75 -9.195 -4.316 -8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.692 -4.266 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.058 -2.879 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.335 -3.280 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.313 -1.779 -11.178 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.117 -2.843 -12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.017 -1.524 -11.507 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.600 -6.424 -9.941 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.719 -7.830 -10.416 1.00 0.00 C ATOM 1205 C TYR A 76 -11.877 -7.939 -11.410 1.00 0.00 C ATOM 1206 O TYR A 76 -12.341 -9.018 -11.722 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.980 -8.752 -9.222 1.00 0.00 C ATOM 1208 CG TYR A 76 -11.046 -10.186 -9.693 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -10.226 -10.620 -10.744 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.929 -11.084 -9.079 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -10.288 -11.951 -11.179 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.992 -12.414 -9.514 1.00 0.00 C ATOM 1213 CZ TYR A 76 -11.172 -12.848 -10.564 1.00 0.00 C ATOM 1214 OH TYR A 76 -11.233 -14.159 -10.993 1.00 0.00 O ATOM 0 H TYR A 76 -11.337 -6.114 -9.308 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.792 -8.126 -10.907 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.188 -8.638 -8.482 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.915 -8.476 -8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.546 -9.928 -11.219 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.562 -10.750 -8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.655 -12.285 -11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.673 -13.105 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.896 -14.647 -10.461 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.346 -6.829 -11.911 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.473 -6.868 -12.887 1.00 0.00 C ATOM 1226 C GLY A 77 -14.803 -6.754 -12.140 1.00 0.00 C ATOM 1227 O GLY A 77 -15.850 -7.077 -12.666 1.00 0.00 O ATOM 0 H GLY A 77 -11.998 -5.897 -11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.376 -6.052 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.442 -7.797 -13.456 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.774 -6.296 -10.918 1.00 0.00 N ATOM 1232 CA LEU A 78 -16.039 -6.163 -10.145 1.00 0.00 C ATOM 1233 C LEU A 78 -16.597 -4.748 -10.319 1.00 0.00 C ATOM 1234 O LEU A 78 -17.634 -4.552 -10.921 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.761 -6.423 -8.663 1.00 0.00 C ATOM 1236 CG LEU A 78 -16.225 -7.834 -8.296 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -17.732 -7.953 -8.528 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -15.495 -8.855 -9.173 1.00 0.00 C ATOM 0 H LEU A 78 -13.930 -6.009 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.766 -6.888 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.696 -6.314 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.281 -5.687 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.002 -8.027 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -18.062 -8.958 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -18.254 -7.226 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.955 -7.759 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.825 -9.861 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.719 -8.660 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.420 -8.772 -9.010 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.918 -3.762 -9.801 1.00 0.00 N ATOM 1251 CA GLU A 79 -16.414 -2.364 -9.942 1.00 0.00 C ATOM 1252 C GLU A 79 -15.509 -1.597 -10.902 1.00 0.00 C ATOM 1253 O GLU A 79 -15.552 -0.385 -10.986 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.405 -1.678 -8.578 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.835 -1.576 -8.046 1.00 0.00 C ATOM 1256 CD GLU A 79 -18.230 -2.899 -7.388 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -17.525 -3.873 -7.595 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -19.229 -2.916 -6.688 1.00 0.00 O ATOM 0 H GLU A 79 -15.043 -3.863 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.431 -2.379 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.786 -2.242 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.966 -0.684 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.909 -0.762 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.521 -1.343 -8.860 1.00 0.00 H new ATOM 1265 N ASN A 80 -14.692 -2.299 -11.626 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.775 -1.631 -12.592 1.00 0.00 C ATOM 1267 C ASN A 80 -13.097 -0.436 -11.916 1.00 0.00 C ATOM 1268 O ASN A 80 -13.245 -0.214 -10.730 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.576 -1.142 -13.802 1.00 0.00 C ATOM 1270 CG ASN A 80 -14.324 -2.072 -14.990 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -14.808 -3.186 -15.018 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -13.582 -1.658 -15.981 1.00 0.00 N ATOM 0 H ASN A 80 -14.616 -3.316 -11.593 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.016 -2.342 -12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.639 -1.120 -13.563 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.285 -0.123 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.409 -2.270 -16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.176 -0.723 -15.958 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.357 0.336 -12.664 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.674 1.519 -12.069 1.00 0.00 C ATOM 1281 C VAL A 81 -12.043 2.768 -12.876 1.00 0.00 C ATOM 1282 O VAL A 81 -12.091 2.722 -14.090 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.158 1.311 -12.116 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.697 1.232 -13.573 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.460 2.485 -11.425 1.00 0.00 C ATOM 0 H VAL A 81 -12.196 0.198 -13.662 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.989 1.643 -11.033 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.904 0.383 -11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.618 1.084 -13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.193 0.396 -14.067 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.952 2.159 -14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.381 2.337 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.715 3.413 -11.937 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.786 2.542 -10.387 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.298 3.848 -12.183 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.671 5.125 -12.817 1.00 0.00 C ATOM 1297 C PRO A 82 -11.429 5.827 -13.378 1.00 0.00 C ATOM 1298 O PRO A 82 -10.315 5.467 -13.054 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.282 5.930 -11.668 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.721 5.323 -10.361 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.237 3.902 -10.707 1.00 0.00 C ATOM 0 HA PRO A 82 -13.355 5.004 -13.657 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.019 6.985 -11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.370 5.870 -11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.901 5.928 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.488 5.293 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.224 3.727 -10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.874 3.143 -10.254 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.664 6.811 -14.209 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.585 7.592 -14.839 1.00 0.00 C ATOM 1311 C PRO A 83 -10.020 8.615 -13.849 1.00 0.00 C ATOM 1312 O PRO A 83 -9.178 9.422 -14.189 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.286 8.291 -16.007 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.792 8.331 -15.652 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.025 7.237 -14.594 1.00 0.00 C ATOM 0 HA PRO A 83 -9.741 6.981 -15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.894 9.298 -16.149 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.121 7.750 -16.939 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.073 9.310 -15.265 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.403 8.151 -16.536 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.579 7.622 -13.738 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.603 6.407 -15.000 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.477 8.587 -12.627 1.00 0.00 N ATOM 1324 CA GLU A 84 -9.967 9.557 -11.618 1.00 0.00 C ATOM 1325 C GLU A 84 -8.525 9.201 -11.251 1.00 0.00 C ATOM 1326 O GLU A 84 -7.837 9.956 -10.592 1.00 0.00 O ATOM 1327 CB GLU A 84 -10.839 9.494 -10.363 1.00 0.00 C ATOM 1328 CG GLU A 84 -10.912 10.881 -9.721 1.00 0.00 C ATOM 1329 CD GLU A 84 -12.034 10.903 -8.683 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -11.777 10.524 -7.553 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -13.134 11.299 -9.037 1.00 0.00 O ATOM 0 H GLU A 84 -11.182 7.934 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.000 10.564 -12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.840 9.148 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.425 8.776 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.960 11.126 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.093 11.638 -10.484 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.060 8.057 -11.673 1.00 0.00 N ATOM 1339 CA LEU A 85 -6.663 7.656 -11.347 1.00 0.00 C ATOM 1340 C LEU A 85 -5.745 8.010 -12.518 1.00 0.00 C ATOM 1341 O LEU A 85 -4.574 8.281 -12.343 1.00 0.00 O ATOM 1342 CB LEU A 85 -6.613 6.147 -11.096 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.576 5.881 -9.591 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.362 4.606 -9.278 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.125 5.709 -9.141 1.00 0.00 C ATOM 0 H LEU A 85 -8.587 7.383 -12.229 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.331 8.184 -10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.484 5.665 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.733 5.717 -11.574 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.024 6.722 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.336 4.416 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.396 4.728 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.915 3.764 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.097 5.519 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.677 4.868 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.565 6.617 -9.364 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.269 8.010 -13.712 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.428 8.345 -14.895 1.00 0.00 C ATOM 1359 C GLU A 86 -4.982 9.807 -14.809 1.00 0.00 C ATOM 1360 O GLU A 86 -3.908 10.164 -15.247 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.243 8.134 -16.173 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.498 7.175 -17.102 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.506 6.400 -17.954 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -7.683 6.710 -17.869 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.084 5.512 -18.675 1.00 0.00 O ATOM 0 H GLU A 86 -7.244 7.792 -13.920 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.550 7.700 -14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.225 7.730 -15.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.407 9.088 -16.674 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.815 7.731 -17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.892 6.483 -16.517 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.799 10.656 -14.245 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.420 12.093 -14.130 1.00 0.00 C ATOM 1374 C ALA A 87 -4.305 12.241 -13.093 1.00 0.00 C ATOM 1375 O ALA A 87 -3.628 13.248 -13.034 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.637 12.909 -13.690 1.00 0.00 C ATOM 0 H ALA A 87 -6.712 10.416 -13.859 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.071 12.456 -15.097 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.359 13.960 -13.606 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.433 12.802 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.987 12.548 -12.723 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.110 11.244 -12.276 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.039 11.323 -11.241 1.00 0.00 C ATOM 1384 C VAL A 88 -2.419 9.939 -11.046 1.00 0.00 C ATOM 1385 O VAL A 88 -2.324 9.441 -9.942 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.644 11.800 -9.919 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.072 13.263 -10.047 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.864 10.941 -9.580 1.00 0.00 C ATOM 0 H VAL A 88 -4.646 10.376 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.270 12.025 -11.564 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.901 11.709 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.503 13.600 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.204 13.876 -10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.815 13.357 -10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.297 11.279 -8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.605 11.033 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.560 9.898 -9.486 1.00 0.00 H new ATOM 1398 N SER A 89 -1.998 9.310 -12.109 1.00 0.00 N ATOM 1399 CA SER A 89 -1.387 7.958 -11.981 1.00 0.00 C ATOM 1400 C SER A 89 0.016 7.971 -12.590 1.00 0.00 C ATOM 1401 O SER A 89 0.219 8.419 -13.700 1.00 0.00 O ATOM 1402 CB SER A 89 -2.252 6.935 -12.719 1.00 0.00 C ATOM 1403 OG SER A 89 -3.160 6.340 -11.801 1.00 0.00 O ATOM 0 H SER A 89 -2.051 9.674 -13.060 1.00 0.00 H new ATOM 0 HA SER A 89 -1.323 7.688 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.799 7.420 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.623 6.170 -13.174 1.00 0.00 H new ATOM 0 HG SER A 89 -3.786 7.019 -11.473 1.00 0.00 H new ATOM 1409 N SER A 90 0.988 7.479 -11.869 1.00 0.00 N ATOM 1410 CA SER A 90 2.377 7.460 -12.406 1.00 0.00 C ATOM 1411 C SER A 90 2.723 6.044 -12.866 1.00 0.00 C ATOM 1412 O SER A 90 3.374 5.850 -13.875 1.00 0.00 O ATOM 1413 CB SER A 90 3.354 7.893 -11.311 1.00 0.00 C ATOM 1414 OG SER A 90 4.679 7.565 -11.707 1.00 0.00 O ATOM 0 H SER A 90 0.879 7.090 -10.932 1.00 0.00 H new ATOM 0 HA SER A 90 2.451 8.146 -13.250 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.270 8.965 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.109 7.396 -10.372 1.00 0.00 H new ATOM 0 HG SER A 90 5.307 7.843 -11.008 1.00 0.00 H new ATOM 1420 N GLU A 91 2.291 5.051 -12.137 1.00 0.00 N ATOM 1421 CA GLU A 91 2.594 3.647 -12.534 1.00 0.00 C ATOM 1422 C GLU A 91 1.290 2.906 -12.831 1.00 0.00 C ATOM 1423 O GLU A 91 0.298 3.076 -12.150 1.00 0.00 O ATOM 1424 CB GLU A 91 3.329 2.942 -11.391 1.00 0.00 C ATOM 1425 CG GLU A 91 4.677 2.421 -11.896 1.00 0.00 C ATOM 1426 CD GLU A 91 4.444 1.369 -12.981 1.00 0.00 C ATOM 1427 OE1 GLU A 91 3.417 0.711 -12.932 1.00 0.00 O ATOM 1428 OE2 GLU A 91 5.296 1.239 -13.844 1.00 0.00 O ATOM 0 H GLU A 91 1.741 5.152 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 91 3.221 3.650 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.482 3.633 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.727 2.116 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.271 3.244 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.244 1.989 -11.071 1.00 0.00 H new ATOM 1435 N VAL A 92 1.283 2.081 -13.841 1.00 0.00 N ATOM 1436 CA VAL A 92 0.044 1.326 -14.181 1.00 0.00 C ATOM 1437 C VAL A 92 0.347 -0.172 -14.166 1.00 0.00 C ATOM 1438 O VAL A 92 1.304 -0.627 -14.760 1.00 0.00 O ATOM 1439 CB VAL A 92 -0.437 1.736 -15.575 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -1.660 0.902 -15.959 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -0.815 3.219 -15.567 1.00 0.00 C ATOM 0 H VAL A 92 2.083 1.897 -14.447 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.733 1.549 -13.450 1.00 0.00 H new ATOM 0 HB VAL A 92 0.360 1.566 -16.299 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.002 1.194 -16.952 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.393 -0.155 -15.964 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.458 1.071 -15.236 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.158 3.512 -16.559 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.612 3.387 -14.843 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.056 3.815 -15.293 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.457 -0.947 -13.490 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.204 -2.414 -13.441 1.00 0.00 C ATOM 1453 C VAL A 93 -1.519 -3.159 -13.207 1.00 0.00 C ATOM 1454 O VAL A 93 -2.341 -2.754 -12.409 1.00 0.00 O ATOM 1455 CB VAL A 93 0.764 -2.726 -12.299 1.00 0.00 C ATOM 1456 CG1 VAL A 93 2.164 -2.231 -12.667 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.292 -2.021 -11.025 1.00 0.00 C ATOM 0 H VAL A 93 -1.275 -0.628 -12.971 1.00 0.00 H new ATOM 0 HA VAL A 93 0.229 -2.735 -14.388 1.00 0.00 H new ATOM 0 HB VAL A 93 0.793 -3.802 -12.130 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.854 -2.453 -11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.500 -2.732 -13.575 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.137 -1.154 -12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.981 -2.243 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.264 -0.945 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.706 -2.373 -10.763 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.717 -4.252 -13.891 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.973 -5.031 -13.704 1.00 0.00 C ATOM 1469 C GLY A 94 -2.746 -6.102 -12.638 1.00 0.00 C ATOM 1470 O GLY A 94 -2.011 -5.901 -11.691 1.00 0.00 O ATOM 0 H GLY A 94 -1.063 -4.639 -14.571 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.785 -4.368 -13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.271 -5.494 -14.644 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.367 -7.238 -12.782 1.00 0.00 N ATOM 1475 CA TRP A 95 -3.180 -8.319 -11.773 1.00 0.00 C ATOM 1476 C TRP A 95 -1.952 -9.157 -12.140 1.00 0.00 C ATOM 1477 O TRP A 95 -1.555 -10.045 -11.412 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.420 -9.214 -11.747 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.331 -8.768 -10.649 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.490 -8.093 -10.827 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.180 -8.952 -9.211 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -7.061 -7.850 -9.590 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.292 -8.361 -8.563 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.196 -9.568 -8.414 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.422 -8.380 -7.173 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.324 -9.589 -7.014 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.435 -8.997 -6.396 1.00 0.00 C ATOM 0 H TRP A 95 -3.995 -7.466 -13.553 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.033 -7.874 -10.789 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.937 -9.166 -12.705 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.129 -10.253 -11.594 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.902 -7.793 -11.779 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.942 -7.354 -9.454 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.337 -10.027 -8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.278 -7.922 -6.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.563 -10.063 -6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.529 -9.017 -5.320 1.00 0.00 H new ATOM 1498 N ASN A 96 -1.346 -8.882 -13.264 1.00 0.00 N ATOM 1499 CA ASN A 96 -0.145 -9.664 -13.673 1.00 0.00 C ATOM 1500 C ASN A 96 0.927 -9.555 -12.585 1.00 0.00 C ATOM 1501 O ASN A 96 0.991 -8.571 -11.876 1.00 0.00 O ATOM 1502 CB ASN A 96 0.405 -9.107 -14.988 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.634 -9.287 -16.095 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.821 -9.252 -15.842 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -0.233 -9.484 -17.321 1.00 0.00 N ATOM 0 H ASN A 96 -1.631 -8.151 -13.915 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.421 -10.709 -13.810 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.650 -8.051 -14.873 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.328 -9.621 -15.255 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.917 -9.609 -18.067 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.764 -9.513 -17.533 1.00 0.00 H new ATOM 1512 N PRO A 97 1.738 -10.577 -12.486 1.00 0.00 N ATOM 1513 CA PRO A 97 2.824 -10.635 -11.491 1.00 0.00 C ATOM 1514 C PRO A 97 4.015 -9.786 -11.945 1.00 0.00 C ATOM 1515 O PRO A 97 4.459 -8.896 -11.246 1.00 0.00 O ATOM 1516 CB PRO A 97 3.194 -12.120 -11.451 1.00 0.00 C ATOM 1517 CG PRO A 97 2.720 -12.724 -12.795 1.00 0.00 C ATOM 1518 CD PRO A 97 1.649 -11.769 -13.355 1.00 0.00 C ATOM 0 HA PRO A 97 2.532 -10.247 -10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.269 -12.249 -11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.712 -12.618 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.553 -12.822 -13.491 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.309 -13.723 -12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.845 -11.518 -14.397 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.656 -12.217 -13.316 1.00 0.00 H new ATOM 1526 N HIS A 98 4.539 -10.056 -13.111 1.00 0.00 N ATOM 1527 CA HIS A 98 5.702 -9.265 -13.607 1.00 0.00 C ATOM 1528 C HIS A 98 5.344 -7.778 -13.623 1.00 0.00 C ATOM 1529 O HIS A 98 6.206 -6.924 -13.684 1.00 0.00 O ATOM 1530 CB HIS A 98 6.060 -9.719 -15.024 1.00 0.00 C ATOM 1531 CG HIS A 98 6.130 -11.220 -15.070 1.00 0.00 C ATOM 1532 ND1 HIS A 98 6.226 -11.917 -16.263 1.00 0.00 N ATOM 1533 CD2 HIS A 98 6.123 -12.171 -14.079 1.00 0.00 C ATOM 1534 CE1 HIS A 98 6.272 -13.228 -15.964 1.00 0.00 C ATOM 1535 NE2 HIS A 98 6.213 -13.438 -14.646 1.00 0.00 N ATOM 0 H HIS A 98 4.212 -10.789 -13.740 1.00 0.00 H new ATOM 0 HA HIS A 98 6.555 -9.424 -12.947 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.314 -9.358 -15.732 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.017 -9.291 -15.323 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.058 -11.966 -13.021 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.347 -14.015 -16.700 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.230 -14.335 -14.160 1.00 0.00 H new ATOM 1543 N CYS A 99 4.079 -7.459 -13.571 1.00 0.00 N ATOM 1544 CA CYS A 99 3.673 -6.025 -13.585 1.00 0.00 C ATOM 1545 C CYS A 99 4.144 -5.347 -12.296 1.00 0.00 C ATOM 1546 O CYS A 99 4.660 -4.247 -12.318 1.00 0.00 O ATOM 1547 CB CYS A 99 2.149 -5.928 -13.689 1.00 0.00 C ATOM 1548 SG CYS A 99 1.699 -5.222 -15.294 1.00 0.00 S ATOM 0 H CYS A 99 3.311 -8.128 -13.520 1.00 0.00 H new ATOM 0 HA CYS A 99 4.127 -5.527 -14.441 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.702 -6.916 -13.576 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.757 -5.307 -12.883 1.00 0.00 H new ATOM 0 HG CYS A 99 0.464 -5.520 -15.568 1.00 0.00 H new ATOM 1554 N ILE A 100 3.972 -5.992 -11.175 1.00 0.00 N ATOM 1555 CA ILE A 100 4.413 -5.382 -9.888 1.00 0.00 C ATOM 1556 C ILE A 100 5.944 -5.288 -9.872 1.00 0.00 C ATOM 1557 O ILE A 100 6.515 -4.472 -9.177 1.00 0.00 O ATOM 1558 CB ILE A 100 3.921 -6.252 -8.721 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.468 -5.888 -8.401 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.783 -6.013 -7.477 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.757 -7.098 -7.795 1.00 0.00 C ATOM 0 H ILE A 100 3.545 -6.915 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 100 3.994 -4.381 -9.786 1.00 0.00 H new ATOM 0 HB ILE A 100 3.993 -7.301 -9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.437 -5.050 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.955 -5.568 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.422 -6.636 -6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.819 -6.268 -7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.722 -4.964 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.723 -6.837 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.775 -7.924 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.265 -7.397 -6.878 1.00 0.00 H new ATOM 1573 N ARG A 101 6.609 -6.114 -10.630 1.00 0.00 N ATOM 1574 CA ARG A 101 8.099 -6.066 -10.653 1.00 0.00 C ATOM 1575 C ARG A 101 8.553 -4.837 -11.445 1.00 0.00 C ATOM 1576 O ARG A 101 9.356 -4.051 -10.983 1.00 0.00 O ATOM 1577 CB ARG A 101 8.640 -7.332 -11.321 1.00 0.00 C ATOM 1578 CG ARG A 101 10.158 -7.398 -11.138 1.00 0.00 C ATOM 1579 CD ARG A 101 10.846 -7.100 -12.472 1.00 0.00 C ATOM 1580 NE ARG A 101 11.273 -8.380 -13.105 1.00 0.00 N ATOM 1581 CZ ARG A 101 11.934 -8.363 -14.230 1.00 0.00 C ATOM 1582 NH1 ARG A 101 11.553 -7.578 -15.199 1.00 0.00 N ATOM 1583 NH2 ARG A 101 12.978 -9.130 -14.385 1.00 0.00 N ATOM 0 H ARG A 101 6.187 -6.819 -11.234 1.00 0.00 H new ATOM 0 HA ARG A 101 8.479 -6.004 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.172 -8.214 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.391 -7.331 -12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.476 -6.678 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.449 -8.385 -10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.165 -6.564 -13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.710 -6.455 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 101 11.049 -9.269 -12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.738 -6.977 -15.078 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.070 -7.565 -16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.278 -9.743 -13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.495 -9.117 -15.264 1.00 0.00 H new ATOM 1597 N ASP A 102 8.045 -4.667 -12.636 1.00 0.00 N ATOM 1598 CA ASP A 102 8.446 -3.490 -13.455 1.00 0.00 C ATOM 1599 C ASP A 102 8.080 -2.204 -12.713 1.00 0.00 C ATOM 1600 O ASP A 102 8.787 -1.218 -12.772 1.00 0.00 O ATOM 1601 CB ASP A 102 7.715 -3.529 -14.799 1.00 0.00 C ATOM 1602 CG ASP A 102 7.899 -2.193 -15.521 1.00 0.00 C ATOM 1603 OD1 ASP A 102 7.193 -1.257 -15.182 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.742 -2.128 -16.401 1.00 0.00 O ATOM 0 H ASP A 102 7.370 -5.293 -13.076 1.00 0.00 H new ATOM 0 HA ASP A 102 9.522 -3.517 -13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.103 -4.342 -15.412 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.655 -3.726 -14.642 1.00 0.00 H new ATOM 1609 N ALA A 103 6.978 -2.207 -12.014 1.00 0.00 N ATOM 1610 CA ALA A 103 6.566 -0.984 -11.269 1.00 0.00 C ATOM 1611 C ALA A 103 7.547 -0.730 -10.121 1.00 0.00 C ATOM 1612 O ALA A 103 8.215 0.281 -10.077 1.00 0.00 O ATOM 1613 CB ALA A 103 5.159 -1.182 -10.701 1.00 0.00 C ATOM 0 H ALA A 103 6.346 -3.003 -11.927 1.00 0.00 H new ATOM 0 HA ALA A 103 6.569 -0.129 -11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.857 -0.288 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.459 -1.363 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.157 -2.037 -10.025 1.00 0.00 H new ATOM 1619 N LEU A 104 7.638 -1.644 -9.194 1.00 0.00 N ATOM 1620 CA LEU A 104 8.575 -1.455 -8.049 1.00 0.00 C ATOM 1621 C LEU A 104 9.931 -0.971 -8.566 1.00 0.00 C ATOM 1622 O LEU A 104 10.629 -0.230 -7.904 1.00 0.00 O ATOM 1623 CB LEU A 104 8.755 -2.787 -7.317 1.00 0.00 C ATOM 1624 CG LEU A 104 8.758 -2.543 -5.807 1.00 0.00 C ATOM 1625 CD1 LEU A 104 7.459 -3.076 -5.200 1.00 0.00 C ATOM 1626 CD2 LEU A 104 9.948 -3.269 -5.178 1.00 0.00 C ATOM 0 H LEU A 104 7.105 -2.513 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 104 8.165 -0.712 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.950 -3.472 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.689 -3.258 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 104 8.837 -1.474 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.462 -2.902 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.610 -2.561 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.379 -4.146 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.952 -3.096 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.867 -4.338 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.875 -2.891 -5.610 1.00 0.00 H new ATOM 1638 N GLU A 105 10.313 -1.386 -9.743 1.00 0.00 N ATOM 1639 CA GLU A 105 11.628 -0.952 -10.296 1.00 0.00 C ATOM 1640 C GLU A 105 11.566 0.531 -10.676 1.00 0.00 C ATOM 1641 O GLU A 105 12.481 1.285 -10.412 1.00 0.00 O ATOM 1642 CB GLU A 105 11.957 -1.782 -11.538 1.00 0.00 C ATOM 1643 CG GLU A 105 13.467 -1.756 -11.784 1.00 0.00 C ATOM 1644 CD GLU A 105 13.742 -1.419 -13.251 1.00 0.00 C ATOM 1645 OE1 GLU A 105 12.881 -0.818 -13.871 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.809 -1.767 -13.728 1.00 0.00 O ATOM 0 H GLU A 105 9.772 -2.006 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 105 12.402 -1.099 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.618 -2.809 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.430 -1.384 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.939 -1.017 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.903 -2.723 -11.535 1.00 0.00 H new ATOM 1653 N ASP A 106 10.499 0.953 -11.296 1.00 0.00 N ATOM 1654 CA ASP A 106 10.386 2.385 -11.695 1.00 0.00 C ATOM 1655 C ASP A 106 10.389 3.271 -10.447 1.00 0.00 C ATOM 1656 O ASP A 106 11.051 4.288 -10.399 1.00 0.00 O ATOM 1657 CB ASP A 106 9.082 2.598 -12.467 1.00 0.00 C ATOM 1658 CG ASP A 106 9.361 2.536 -13.970 1.00 0.00 C ATOM 1659 OD1 ASP A 106 10.155 3.336 -14.438 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.778 1.690 -14.626 1.00 0.00 O ATOM 0 H ASP A 106 9.700 0.369 -11.544 1.00 0.00 H new ATOM 0 HA ASP A 106 11.233 2.650 -12.328 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.354 1.835 -12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.647 3.563 -12.207 1.00 0.00 H new ATOM 1665 N ALA A 107 9.651 2.895 -9.439 1.00 0.00 N ATOM 1666 CA ALA A 107 9.607 3.718 -8.197 1.00 0.00 C ATOM 1667 C ALA A 107 11.022 3.884 -7.640 1.00 0.00 C ATOM 1668 O ALA A 107 11.420 4.961 -7.241 1.00 0.00 O ATOM 1669 CB ALA A 107 8.729 3.022 -7.156 1.00 0.00 C ATOM 0 H ALA A 107 9.076 2.053 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 107 9.192 4.699 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.696 3.623 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.720 2.905 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.145 2.041 -6.927 1.00 0.00 H new ATOM 1675 N LEU A 108 11.787 2.827 -7.607 1.00 0.00 N ATOM 1676 CA LEU A 108 13.174 2.928 -7.073 1.00 0.00 C ATOM 1677 C LEU A 108 13.854 4.175 -7.642 1.00 0.00 C ATOM 1678 O LEU A 108 14.576 4.868 -6.954 1.00 0.00 O ATOM 1679 CB LEU A 108 13.970 1.686 -7.477 1.00 0.00 C ATOM 1680 CG LEU A 108 15.213 1.567 -6.594 1.00 0.00 C ATOM 1681 CD1 LEU A 108 14.797 1.152 -5.182 1.00 0.00 C ATOM 1682 CD2 LEU A 108 16.154 0.510 -7.179 1.00 0.00 C ATOM 0 H LEU A 108 11.511 1.898 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 108 13.137 2.999 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.351 0.795 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.261 1.752 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 108 15.725 2.529 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.682 1.067 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.126 1.903 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.286 0.190 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.040 0.424 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.642 -0.452 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.450 0.804 -8.186 1.00 0.00 H new