USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 867 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 Single : A 1 VAL N :NH3+ -136:sc= -0.959 (180deg=-1.2) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.148 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.511 K(o=-0.51,f=0.49) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -130:sc= 0 USER MOD Single : A 67 SER OG : rot -150:sc= 1.04 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -130:sc= -0.171 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 89 SER OG : rot -80:sc= -0.202 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0885 X(o=-0.089,f=-0.25) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 21.343 -10.244 -2.248 1.00 0.00 N ATOM 2 CA VAL A 1 21.871 -8.920 -1.816 1.00 0.00 C ATOM 3 C VAL A 1 21.071 -8.422 -0.611 1.00 0.00 C ATOM 4 O VAL A 1 20.614 -9.198 0.205 1.00 0.00 O ATOM 5 CB VAL A 1 21.740 -7.921 -2.967 1.00 0.00 C ATOM 6 CG1 VAL A 1 22.390 -8.500 -4.225 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.258 -7.650 -3.239 1.00 0.00 C ATOM 0 H1 VAL A 1 22.137 -10.886 -2.446 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.753 -10.646 -1.492 1.00 0.00 H new ATOM 0 H3 VAL A 1 20.770 -10.126 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 1 22.921 -9.018 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 1 22.238 -6.990 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 1 22.296 -7.787 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 1 23.445 -8.695 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 1 21.893 -9.431 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 1 20.163 -6.938 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.761 -8.582 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.793 -7.236 -2.344 1.00 0.00 H new ATOM 19 N THR A 2 20.896 -7.134 -0.488 1.00 0.00 N ATOM 20 CA THR A 2 20.126 -6.594 0.667 1.00 0.00 C ATOM 21 C THR A 2 19.537 -5.233 0.294 1.00 0.00 C ATOM 22 O THR A 2 20.235 -4.240 0.231 1.00 0.00 O ATOM 23 CB THR A 2 21.058 -6.438 1.870 1.00 0.00 C ATOM 24 OG1 THR A 2 20.418 -5.647 2.864 1.00 0.00 O ATOM 25 CG2 THR A 2 22.356 -5.760 1.424 1.00 0.00 C ATOM 0 H THR A 2 21.253 -6.433 -1.138 1.00 0.00 H new ATOM 0 HA THR A 2 19.318 -7.280 0.921 1.00 0.00 H new ATOM 0 HB THR A 2 21.289 -7.419 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.013 -5.547 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 2 23.021 -5.648 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 2 22.843 -6.371 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 2 22.130 -4.778 1.010 1.00 0.00 H new ATOM 33 N ALA A 3 18.257 -5.177 0.045 1.00 0.00 N ATOM 34 CA ALA A 3 17.625 -3.879 -0.324 1.00 0.00 C ATOM 35 C ALA A 3 16.127 -3.938 -0.020 1.00 0.00 C ATOM 36 O ALA A 3 15.395 -4.708 -0.607 1.00 0.00 O ATOM 37 CB ALA A 3 17.833 -3.616 -1.817 1.00 0.00 C ATOM 0 H ALA A 3 17.622 -5.974 0.081 1.00 0.00 H new ATOM 0 HA ALA A 3 18.082 -3.075 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.371 -2.667 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.900 -3.575 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.376 -4.419 -2.395 1.00 0.00 H new ATOM 43 N GLU A 4 15.666 -3.128 0.894 1.00 0.00 N ATOM 44 CA GLU A 4 14.216 -3.138 1.235 1.00 0.00 C ATOM 45 C GLU A 4 13.552 -1.876 0.684 1.00 0.00 C ATOM 46 O GLU A 4 14.153 -0.822 0.624 1.00 0.00 O ATOM 47 CB GLU A 4 14.050 -3.175 2.756 1.00 0.00 C ATOM 48 CG GLU A 4 14.635 -1.900 3.366 1.00 0.00 C ATOM 49 CD GLU A 4 15.469 -2.260 4.597 1.00 0.00 C ATOM 50 OE1 GLU A 4 16.175 -3.253 4.540 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.386 -1.536 5.575 1.00 0.00 O ATOM 0 H GLU A 4 16.231 -2.460 1.419 1.00 0.00 H new ATOM 0 HA GLU A 4 13.747 -4.018 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.995 -3.263 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.553 -4.051 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.254 -1.384 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.833 -1.216 3.644 1.00 0.00 H new ATOM 58 N ILE A 5 12.314 -1.974 0.283 1.00 0.00 N ATOM 59 CA ILE A 5 11.611 -0.778 -0.261 1.00 0.00 C ATOM 60 C ILE A 5 10.395 -0.463 0.613 1.00 0.00 C ATOM 61 O ILE A 5 9.684 -1.349 1.045 1.00 0.00 O ATOM 62 CB ILE A 5 11.148 -1.061 -1.693 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.318 -1.618 -2.506 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.656 0.237 -2.335 1.00 0.00 C ATOM 65 CD1 ILE A 5 11.791 -2.233 -3.804 1.00 0.00 C ATOM 0 H ILE A 5 11.760 -2.830 0.309 1.00 0.00 H new ATOM 0 HA ILE A 5 12.292 0.073 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 5 10.337 -1.789 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.030 -0.823 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.853 -2.370 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.326 0.037 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.823 0.636 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.467 0.965 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.625 -2.630 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.096 -3.039 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.276 -1.469 -4.386 1.00 0.00 H new ATOM 77 N ARG A 6 10.151 0.792 0.874 1.00 0.00 N ATOM 78 CA ARG A 6 8.981 1.162 1.720 1.00 0.00 C ATOM 79 C ARG A 6 7.772 1.435 0.821 1.00 0.00 C ATOM 80 O ARG A 6 7.746 2.395 0.077 1.00 0.00 O ATOM 81 CB ARG A 6 9.311 2.419 2.527 1.00 0.00 C ATOM 82 CG ARG A 6 9.797 2.018 3.921 1.00 0.00 C ATOM 83 CD ARG A 6 11.038 2.837 4.286 1.00 0.00 C ATOM 84 NE ARG A 6 11.280 2.743 5.752 1.00 0.00 N ATOM 85 CZ ARG A 6 10.321 3.021 6.592 1.00 0.00 C ATOM 86 NH1 ARG A 6 9.351 3.818 6.234 1.00 0.00 N ATOM 87 NH2 ARG A 6 10.331 2.502 7.789 1.00 0.00 N ATOM 0 H ARG A 6 10.710 1.576 0.539 1.00 0.00 H new ATOM 0 HA ARG A 6 8.751 0.344 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.078 3.001 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.429 3.055 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.009 2.186 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.031 0.954 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.905 2.467 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.898 3.878 3.996 1.00 0.00 H new ATOM 0 HE ARG A 6 12.196 2.461 6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.343 4.223 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.601 4.036 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.089 1.879 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.581 2.720 8.445 1.00 0.00 H new ATOM 101 N LEU A 7 6.772 0.599 0.885 1.00 0.00 N ATOM 102 CA LEU A 7 5.568 0.813 0.034 1.00 0.00 C ATOM 103 C LEU A 7 4.332 0.963 0.923 1.00 0.00 C ATOM 104 O LEU A 7 4.282 0.454 2.025 1.00 0.00 O ATOM 105 CB LEU A 7 5.382 -0.386 -0.899 1.00 0.00 C ATOM 106 CG LEU A 7 6.471 -0.372 -1.972 1.00 0.00 C ATOM 107 CD1 LEU A 7 7.587 -1.342 -1.580 1.00 0.00 C ATOM 108 CD2 LEU A 7 5.871 -0.802 -3.312 1.00 0.00 C ATOM 0 H LEU A 7 6.737 -0.222 1.489 1.00 0.00 H new ATOM 0 HA LEU A 7 5.700 1.718 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.430 -1.314 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.397 -0.348 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 7 6.879 0.635 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.363 -1.332 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.015 -1.037 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.179 -2.349 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.647 -0.792 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.463 -1.809 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.075 -0.112 -3.593 1.00 0.00 H new ATOM 120 N TYR A 8 3.332 1.655 0.451 1.00 0.00 N ATOM 121 CA TYR A 8 2.099 1.837 1.266 1.00 0.00 C ATOM 122 C TYR A 8 0.890 1.339 0.468 1.00 0.00 C ATOM 123 O TYR A 8 0.478 1.952 -0.498 1.00 0.00 O ATOM 124 CB TYR A 8 1.924 3.323 1.600 1.00 0.00 C ATOM 125 CG TYR A 8 0.515 3.580 2.082 1.00 0.00 C ATOM 126 CD1 TYR A 8 -0.501 3.850 1.157 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.223 3.546 3.452 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.809 4.088 1.601 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.084 3.785 3.897 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.100 4.056 2.971 1.00 0.00 C ATOM 131 OH TYR A 8 -3.388 4.289 3.408 1.00 0.00 O ATOM 0 H TYR A 8 3.316 2.103 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 8 2.181 1.268 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.640 3.619 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.132 3.930 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.277 3.875 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.006 3.335 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.592 4.296 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.308 3.760 4.953 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.418 4.229 4.386 1.00 0.00 H new ATOM 141 N ILE A 9 0.320 0.234 0.863 1.00 0.00 N ATOM 142 CA ILE A 9 -0.861 -0.299 0.125 1.00 0.00 C ATOM 143 C ILE A 9 -2.121 -0.097 0.968 1.00 0.00 C ATOM 144 O ILE A 9 -2.102 -0.235 2.175 1.00 0.00 O ATOM 145 CB ILE A 9 -0.665 -1.793 -0.150 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.826 -2.092 -0.327 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.415 -2.177 -1.427 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.014 -3.569 -0.685 1.00 0.00 C ATOM 0 H ILE A 9 0.620 -0.322 1.663 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.966 0.232 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.053 -2.370 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.243 -1.461 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.366 -1.858 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.277 -3.240 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.477 -1.966 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.026 -1.599 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.076 -3.781 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.612 -4.191 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.488 -3.788 -1.614 1.00 0.00 H new ATOM 160 N THR A 10 -3.218 0.230 0.342 1.00 0.00 N ATOM 161 CA THR A 10 -4.478 0.441 1.109 1.00 0.00 C ATOM 162 C THR A 10 -4.685 -0.724 2.079 1.00 0.00 C ATOM 163 O THR A 10 -4.334 -1.852 1.793 1.00 0.00 O ATOM 164 CB THR A 10 -5.660 0.513 0.138 1.00 0.00 C ATOM 165 OG1 THR A 10 -5.274 1.243 -1.017 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.839 1.211 0.816 1.00 0.00 C ATOM 0 H THR A 10 -3.296 0.360 -0.667 1.00 0.00 H new ATOM 0 HA THR A 10 -4.411 1.373 1.670 1.00 0.00 H new ATOM 0 HB THR A 10 -5.957 -0.495 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.074 1.565 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.679 1.261 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.133 0.650 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.547 2.220 1.106 1.00 0.00 H new ATOM 174 N GLU A 11 -5.249 -0.461 3.226 1.00 0.00 N ATOM 175 CA GLU A 11 -5.474 -1.554 4.214 1.00 0.00 C ATOM 176 C GLU A 11 -6.936 -2.001 4.162 1.00 0.00 C ATOM 177 O GLU A 11 -7.846 -1.206 4.293 1.00 0.00 O ATOM 178 CB GLU A 11 -5.145 -1.043 5.619 1.00 0.00 C ATOM 179 CG GLU A 11 -3.890 -1.749 6.134 1.00 0.00 C ATOM 180 CD GLU A 11 -4.126 -3.259 6.160 1.00 0.00 C ATOM 181 OE1 GLU A 11 -5.277 -3.657 6.224 1.00 0.00 O ATOM 182 OE2 GLU A 11 -3.153 -3.993 6.115 1.00 0.00 O ATOM 0 H GLU A 11 -5.564 0.463 3.522 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.830 -2.400 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.987 0.035 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.982 -1.229 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.040 -1.515 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.644 -1.392 7.134 1.00 0.00 H new ATOM 189 N GLY A 12 -7.170 -3.272 3.972 1.00 0.00 N ATOM 190 CA GLY A 12 -8.572 -3.774 3.911 1.00 0.00 C ATOM 191 C GLY A 12 -8.580 -5.288 4.133 1.00 0.00 C ATOM 192 O GLY A 12 -7.548 -5.903 4.314 1.00 0.00 O ATOM 0 H GLY A 12 -6.449 -3.985 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.180 -3.281 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.014 -3.535 2.944 1.00 0.00 H new ATOM 196 N GLU A 13 -9.736 -5.895 4.120 1.00 0.00 N ATOM 197 CA GLU A 13 -9.805 -7.369 4.330 1.00 0.00 C ATOM 198 C GLU A 13 -10.381 -8.042 3.083 1.00 0.00 C ATOM 199 O GLU A 13 -10.467 -9.252 3.004 1.00 0.00 O ATOM 200 CB GLU A 13 -10.705 -7.671 5.531 1.00 0.00 C ATOM 201 CG GLU A 13 -9.855 -7.775 6.797 1.00 0.00 C ATOM 202 CD GLU A 13 -9.700 -6.388 7.424 1.00 0.00 C ATOM 203 OE1 GLU A 13 -10.528 -5.537 7.142 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.757 -6.200 8.176 1.00 0.00 O ATOM 0 H GLU A 13 -10.634 -5.434 3.973 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.802 -7.753 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.451 -6.885 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.246 -8.603 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.323 -8.456 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.876 -8.189 6.557 1.00 0.00 H new ATOM 211 N VAL A 14 -10.778 -7.272 2.107 1.00 0.00 N ATOM 212 CA VAL A 14 -11.350 -7.877 0.870 1.00 0.00 C ATOM 213 C VAL A 14 -10.429 -8.994 0.373 1.00 0.00 C ATOM 214 O VAL A 14 -9.329 -9.167 0.859 1.00 0.00 O ATOM 215 CB VAL A 14 -11.481 -6.804 -0.214 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.820 -6.079 -0.057 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.338 -5.797 -0.075 1.00 0.00 C ATOM 0 H VAL A 14 -10.731 -6.253 2.112 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.334 -8.289 1.092 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.435 -7.274 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.913 -5.315 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.635 -6.796 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.866 -5.609 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.431 -5.033 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.384 -5.328 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.384 -6.312 -0.187 1.00 0.00 H new ATOM 227 N GLU A 15 -10.872 -9.753 -0.592 1.00 0.00 N ATOM 228 CA GLU A 15 -10.025 -10.859 -1.121 1.00 0.00 C ATOM 229 C GLU A 15 -8.957 -10.284 -2.052 1.00 0.00 C ATOM 230 O GLU A 15 -7.956 -10.915 -2.329 1.00 0.00 O ATOM 231 CB GLU A 15 -10.902 -11.844 -1.895 1.00 0.00 C ATOM 232 CG GLU A 15 -11.615 -11.110 -3.032 1.00 0.00 C ATOM 233 CD GLU A 15 -13.022 -11.684 -3.208 1.00 0.00 C ATOM 234 OE1 GLU A 15 -13.140 -12.732 -3.821 1.00 0.00 O ATOM 235 OE2 GLU A 15 -13.958 -11.066 -2.727 1.00 0.00 O ATOM 0 H GLU A 15 -11.785 -9.655 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.541 -11.376 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.291 -12.653 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.633 -12.299 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.671 -10.044 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.050 -11.215 -3.958 1.00 0.00 H new ATOM 242 N ASP A 16 -9.158 -9.090 -2.539 1.00 0.00 N ATOM 243 CA ASP A 16 -8.152 -8.478 -3.451 1.00 0.00 C ATOM 244 C ASP A 16 -6.855 -8.222 -2.680 1.00 0.00 C ATOM 245 O ASP A 16 -5.783 -8.605 -3.105 1.00 0.00 O ATOM 246 CB ASP A 16 -8.692 -7.152 -3.993 1.00 0.00 C ATOM 247 CG ASP A 16 -9.830 -7.431 -4.978 1.00 0.00 C ATOM 248 OD1 ASP A 16 -9.962 -8.570 -5.392 1.00 0.00 O ATOM 249 OD2 ASP A 16 -10.549 -6.499 -5.300 1.00 0.00 O ATOM 0 H ASP A 16 -9.976 -8.512 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.955 -9.156 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.051 -6.530 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.895 -6.597 -4.489 1.00 0.00 H new ATOM 254 N TYR A 17 -6.944 -7.580 -1.547 1.00 0.00 N ATOM 255 CA TYR A 17 -5.718 -7.302 -0.746 1.00 0.00 C ATOM 256 C TYR A 17 -5.098 -8.623 -0.285 1.00 0.00 C ATOM 257 O TYR A 17 -3.905 -8.723 -0.078 1.00 0.00 O ATOM 258 CB TYR A 17 -6.092 -6.462 0.478 1.00 0.00 C ATOM 259 CG TYR A 17 -4.837 -6.010 1.186 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.045 -4.998 0.628 1.00 0.00 C ATOM 261 CD2 TYR A 17 -4.465 -6.602 2.401 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.881 -4.577 1.285 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.302 -6.181 3.058 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.509 -5.168 2.500 1.00 0.00 C ATOM 265 OH TYR A 17 -1.364 -4.752 3.147 1.00 0.00 O ATOM 0 H TYR A 17 -7.814 -7.236 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.999 -6.758 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.680 -5.597 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.714 -7.046 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.331 -4.542 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.075 -7.383 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.270 -3.797 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.016 -6.637 3.994 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.252 -5.263 3.976 1.00 0.00 H new ATOM 275 N ARG A 18 -5.903 -9.638 -0.122 1.00 0.00 N ATOM 276 CA ARG A 18 -5.365 -10.953 0.329 1.00 0.00 C ATOM 277 C ARG A 18 -4.465 -11.545 -0.758 1.00 0.00 C ATOM 278 O ARG A 18 -3.303 -11.820 -0.534 1.00 0.00 O ATOM 279 CB ARG A 18 -6.527 -11.910 0.604 1.00 0.00 C ATOM 280 CG ARG A 18 -6.491 -12.356 2.066 1.00 0.00 C ATOM 281 CD ARG A 18 -6.765 -11.156 2.973 1.00 0.00 C ATOM 282 NE ARG A 18 -5.474 -10.628 3.500 1.00 0.00 N ATOM 283 CZ ARG A 18 -5.028 -11.030 4.659 1.00 0.00 C ATOM 284 NH1 ARG A 18 -5.692 -10.745 5.747 1.00 0.00 N ATOM 285 NH2 ARG A 18 -3.921 -11.717 4.730 1.00 0.00 N ATOM 0 H ARG A 18 -6.910 -9.613 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.783 -10.811 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.475 -11.418 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.460 -12.777 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.236 -13.133 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.519 -12.789 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.289 -10.378 2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.414 -11.450 3.798 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.939 -9.952 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.558 -10.209 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.345 -11.059 6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.404 -11.940 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.573 -12.031 5.636 1.00 0.00 H new ATOM 299 N VAL A 19 -4.995 -11.747 -1.934 1.00 0.00 N ATOM 300 CA VAL A 19 -4.171 -12.327 -3.033 1.00 0.00 C ATOM 301 C VAL A 19 -2.955 -11.435 -3.292 1.00 0.00 C ATOM 302 O VAL A 19 -1.837 -11.903 -3.375 1.00 0.00 O ATOM 303 CB VAL A 19 -5.013 -12.423 -4.307 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.211 -13.135 -5.397 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.289 -13.217 -4.016 1.00 0.00 C ATOM 0 H VAL A 19 -5.962 -11.536 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.834 -13.322 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.275 -11.420 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.811 -13.203 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.301 -12.572 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.949 -14.138 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.889 -13.286 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.025 -14.219 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.862 -12.712 -3.239 1.00 0.00 H new ATOM 315 N PHE A 20 -3.162 -10.154 -3.423 1.00 0.00 N ATOM 316 CA PHE A 20 -2.019 -9.234 -3.682 1.00 0.00 C ATOM 317 C PHE A 20 -0.936 -9.443 -2.620 1.00 0.00 C ATOM 318 O PHE A 20 0.244 -9.387 -2.904 1.00 0.00 O ATOM 319 CB PHE A 20 -2.511 -7.787 -3.632 1.00 0.00 C ATOM 320 CG PHE A 20 -1.714 -6.947 -4.603 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.614 -7.334 -5.946 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.078 -5.779 -4.160 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.876 -6.554 -6.846 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.340 -4.999 -5.061 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.240 -5.386 -6.405 1.00 0.00 C ATOM 0 H PHE A 20 -4.075 -9.704 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.602 -9.444 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.571 -7.744 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.406 -7.391 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.106 -8.233 -6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.157 -5.480 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.797 -6.853 -7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.152 -4.100 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.327 -4.784 -7.100 1.00 0.00 H new ATOM 335 N LEU A 21 -1.326 -9.682 -1.398 1.00 0.00 N ATOM 336 CA LEU A 21 -0.316 -9.891 -0.323 1.00 0.00 C ATOM 337 C LEU A 21 0.438 -11.200 -0.572 1.00 0.00 C ATOM 338 O LEU A 21 1.638 -11.209 -0.757 1.00 0.00 O ATOM 339 CB LEU A 21 -1.021 -9.960 1.033 1.00 0.00 C ATOM 340 CG LEU A 21 -0.363 -8.975 2.000 1.00 0.00 C ATOM 341 CD1 LEU A 21 1.143 -9.238 2.052 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.614 -7.545 1.517 1.00 0.00 C ATOM 0 H LEU A 21 -2.299 -9.741 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 21 0.390 -9.061 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.078 -9.722 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.964 -10.972 1.433 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.788 -9.104 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.611 -8.536 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.323 -10.257 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.569 -9.109 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.146 -6.841 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.188 -7.417 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.687 -7.357 1.480 1.00 0.00 H new ATOM 354 N GLU A 22 -0.257 -12.304 -0.573 1.00 0.00 N ATOM 355 CA GLU A 22 0.422 -13.611 -0.806 1.00 0.00 C ATOM 356 C GLU A 22 1.278 -13.528 -2.071 1.00 0.00 C ATOM 357 O GLU A 22 2.228 -14.268 -2.238 1.00 0.00 O ATOM 358 CB GLU A 22 -0.631 -14.709 -0.975 1.00 0.00 C ATOM 359 CG GLU A 22 -0.939 -15.335 0.386 1.00 0.00 C ATOM 360 CD GLU A 22 -1.947 -16.472 0.208 1.00 0.00 C ATOM 361 OE1 GLU A 22 -2.965 -16.241 -0.422 1.00 0.00 O ATOM 362 OE2 GLU A 22 -1.682 -17.555 0.705 1.00 0.00 O ATOM 0 H GLU A 22 -1.264 -12.358 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 22 1.059 -13.844 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.540 -14.292 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.269 -15.472 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.023 -15.714 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.341 -14.581 1.063 1.00 0.00 H new ATOM 369 N ARG A 23 0.954 -12.634 -2.964 1.00 0.00 N ATOM 370 CA ARG A 23 1.754 -12.509 -4.216 1.00 0.00 C ATOM 371 C ARG A 23 3.100 -11.858 -3.893 1.00 0.00 C ATOM 372 O ARG A 23 4.146 -12.361 -4.255 1.00 0.00 O ATOM 373 CB ARG A 23 0.996 -11.643 -5.225 1.00 0.00 C ATOM 374 CG ARG A 23 0.188 -12.541 -6.163 1.00 0.00 C ATOM 375 CD ARG A 23 0.617 -12.286 -7.609 1.00 0.00 C ATOM 376 NE ARG A 23 -0.567 -12.410 -8.507 1.00 0.00 N ATOM 377 CZ ARG A 23 -0.677 -13.437 -9.302 1.00 0.00 C ATOM 378 NH1 ARG A 23 -0.594 -14.647 -8.821 1.00 0.00 N ATOM 379 NH2 ARG A 23 -0.872 -13.256 -10.580 1.00 0.00 N ATOM 0 H ARG A 23 0.171 -11.985 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 23 1.920 -13.498 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.332 -10.954 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.697 -11.037 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.345 -13.588 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.877 -12.340 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.054 -11.291 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.386 -13.000 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.291 -11.691 -8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.443 -14.790 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.680 -15.450 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.938 -12.311 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.958 -14.060 -11.202 1.00 0.00 H new ATOM 393 N LEU A 24 3.083 -10.745 -3.213 1.00 0.00 N ATOM 394 CA LEU A 24 4.363 -10.067 -2.864 1.00 0.00 C ATOM 395 C LEU A 24 5.071 -10.854 -1.758 1.00 0.00 C ATOM 396 O LEU A 24 6.188 -10.552 -1.385 1.00 0.00 O ATOM 397 CB LEU A 24 4.072 -8.648 -2.372 1.00 0.00 C ATOM 398 CG LEU A 24 3.965 -7.702 -3.571 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.632 -6.955 -3.514 1.00 0.00 C ATOM 400 CD2 LEU A 24 5.116 -6.695 -3.527 1.00 0.00 C ATOM 0 H LEU A 24 2.239 -10.276 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 24 5.002 -10.022 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.144 -8.633 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.865 -8.315 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 24 4.019 -8.277 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.556 -6.281 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.812 -7.672 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.577 -6.378 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.042 -6.020 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.061 -6.119 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.067 -7.227 -3.567 1.00 0.00 H new ATOM 412 N GLU A 25 4.429 -11.861 -1.229 1.00 0.00 N ATOM 413 CA GLU A 25 5.061 -12.665 -0.145 1.00 0.00 C ATOM 414 C GLU A 25 6.097 -13.619 -0.748 1.00 0.00 C ATOM 415 O GLU A 25 7.277 -13.520 -0.476 1.00 0.00 O ATOM 416 CB GLU A 25 3.982 -13.477 0.576 1.00 0.00 C ATOM 417 CG GLU A 25 4.531 -13.986 1.911 1.00 0.00 C ATOM 418 CD GLU A 25 3.894 -15.336 2.243 1.00 0.00 C ATOM 419 OE1 GLU A 25 2.688 -15.454 2.098 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.624 -16.231 2.639 1.00 0.00 O ATOM 0 H GLU A 25 3.493 -12.161 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 25 5.553 -11.997 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.100 -12.860 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.669 -14.317 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.615 -14.087 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.318 -13.267 2.702 1.00 0.00 H new ATOM 427 N GLN A 26 5.664 -14.546 -1.558 1.00 0.00 N ATOM 428 CA GLN A 26 6.620 -15.511 -2.171 1.00 0.00 C ATOM 429 C GLN A 26 7.555 -14.778 -3.137 1.00 0.00 C ATOM 430 O GLN A 26 8.510 -15.340 -3.635 1.00 0.00 O ATOM 431 CB GLN A 26 5.839 -16.583 -2.933 1.00 0.00 C ATOM 432 CG GLN A 26 4.914 -17.324 -1.966 1.00 0.00 C ATOM 433 CD GLN A 26 3.565 -17.575 -2.641 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.644 -16.796 -2.492 1.00 0.00 O ATOM 435 NE2 GLN A 26 3.407 -18.639 -3.379 1.00 0.00 N ATOM 0 H GLN A 26 4.688 -14.677 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 26 7.213 -15.977 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.256 -16.125 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.528 -17.284 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.365 -18.270 -1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.775 -16.737 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.180 -19.292 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.510 -18.817 -3.831 1.00 0.00 H new ATOM 444 N SER A 27 7.291 -13.529 -3.405 1.00 0.00 N ATOM 445 CA SER A 27 8.171 -12.770 -4.339 1.00 0.00 C ATOM 446 C SER A 27 9.630 -12.929 -3.907 1.00 0.00 C ATOM 447 O SER A 27 10.466 -13.381 -4.664 1.00 0.00 O ATOM 448 CB SER A 27 7.790 -11.289 -4.311 1.00 0.00 C ATOM 449 OG SER A 27 7.033 -10.979 -5.474 1.00 0.00 O ATOM 0 H SER A 27 6.507 -13.002 -3.020 1.00 0.00 H new ATOM 0 HA SER A 27 8.046 -13.157 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.210 -11.067 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.687 -10.671 -4.271 1.00 0.00 H new ATOM 0 HG SER A 27 6.785 -10.031 -5.460 1.00 0.00 H new ATOM 455 N GLY A 28 9.942 -12.567 -2.692 1.00 0.00 N ATOM 456 CA GLY A 28 11.347 -12.701 -2.212 1.00 0.00 C ATOM 457 C GLY A 28 11.882 -11.331 -1.793 1.00 0.00 C ATOM 458 O GLY A 28 12.751 -11.227 -0.950 1.00 0.00 O ATOM 0 H GLY A 28 9.285 -12.185 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.389 -13.392 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.972 -13.121 -3.000 1.00 0.00 H new ATOM 462 N LEU A 29 11.374 -10.280 -2.374 1.00 0.00 N ATOM 463 CA LEU A 29 11.859 -8.920 -2.007 1.00 0.00 C ATOM 464 C LEU A 29 11.570 -8.656 -0.527 1.00 0.00 C ATOM 465 O LEU A 29 10.642 -9.194 0.040 1.00 0.00 O ATOM 466 CB LEU A 29 11.140 -7.873 -2.861 1.00 0.00 C ATOM 467 CG LEU A 29 12.053 -7.438 -4.007 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.457 -8.663 -4.830 1.00 0.00 C ATOM 469 CD2 LEU A 29 11.308 -6.447 -4.902 1.00 0.00 C ATOM 0 H LEU A 29 10.645 -10.304 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 29 12.933 -8.859 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.212 -8.286 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.870 -7.012 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 29 12.946 -6.962 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.108 -8.353 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.986 -9.371 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.565 -9.138 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.958 -6.136 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.416 -6.923 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.018 -5.574 -4.316 1.00 0.00 H new ATOM 481 N GLU A 30 12.363 -7.831 0.101 1.00 0.00 N ATOM 482 CA GLU A 30 12.137 -7.533 1.543 1.00 0.00 C ATOM 483 C GLU A 30 11.411 -6.193 1.681 1.00 0.00 C ATOM 484 O GLU A 30 11.827 -5.325 2.422 1.00 0.00 O ATOM 485 CB GLU A 30 13.485 -7.462 2.264 1.00 0.00 C ATOM 486 CG GLU A 30 13.343 -8.049 3.670 1.00 0.00 C ATOM 487 CD GLU A 30 13.326 -9.576 3.586 1.00 0.00 C ATOM 488 OE1 GLU A 30 13.830 -10.100 2.607 1.00 0.00 O ATOM 489 OE2 GLU A 30 12.807 -10.193 4.501 1.00 0.00 O ATOM 0 H GLU A 30 13.157 -7.351 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 30 11.528 -8.321 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.239 -8.013 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.824 -6.428 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.169 -7.718 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.425 -7.689 4.135 1.00 0.00 H new ATOM 496 N TRP A 31 10.328 -6.018 0.974 1.00 0.00 N ATOM 497 CA TRP A 31 9.577 -4.735 1.066 1.00 0.00 C ATOM 498 C TRP A 31 8.706 -4.743 2.323 1.00 0.00 C ATOM 499 O TRP A 31 8.383 -5.784 2.858 1.00 0.00 O ATOM 500 CB TRP A 31 8.689 -4.570 -0.171 1.00 0.00 C ATOM 501 CG TRP A 31 7.624 -5.619 -0.162 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.803 -6.912 -0.513 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.221 -5.486 0.209 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.600 -7.583 -0.380 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.594 -6.746 0.062 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.439 -4.403 0.656 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.239 -6.926 0.348 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.075 -4.579 0.944 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.476 -5.840 0.790 1.00 0.00 C ATOM 0 H TRP A 31 9.931 -6.708 0.337 1.00 0.00 H new ATOM 0 HA TRP A 31 10.282 -3.905 1.118 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.237 -3.578 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.289 -4.654 -1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.733 -7.350 -0.843 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.472 -8.574 -0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.891 -3.430 0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.783 -7.898 0.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.485 -3.741 1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.427 -5.971 1.013 1.00 0.00 H new ATOM 520 N ARG A 32 8.323 -3.590 2.798 1.00 0.00 N ATOM 521 CA ARG A 32 7.473 -3.536 4.022 1.00 0.00 C ATOM 522 C ARG A 32 6.472 -2.383 3.900 1.00 0.00 C ATOM 523 O ARG A 32 6.692 -1.449 3.157 1.00 0.00 O ATOM 524 CB ARG A 32 8.360 -3.311 5.248 1.00 0.00 C ATOM 525 CG ARG A 32 9.089 -4.610 5.596 1.00 0.00 C ATOM 526 CD ARG A 32 8.733 -5.028 7.023 1.00 0.00 C ATOM 527 NE ARG A 32 8.323 -6.461 7.033 1.00 0.00 N ATOM 528 CZ ARG A 32 8.224 -7.102 8.165 1.00 0.00 C ATOM 529 NH1 ARG A 32 9.086 -6.877 9.119 1.00 0.00 N ATOM 530 NH2 ARG A 32 7.265 -7.969 8.345 1.00 0.00 N ATOM 0 H ARG A 32 8.561 -2.685 2.393 1.00 0.00 H new ATOM 0 HA ARG A 32 6.933 -4.476 4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.082 -2.519 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.754 -2.984 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.809 -5.396 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.166 -4.471 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.589 -4.879 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.925 -4.405 7.405 1.00 0.00 H new ATOM 0 HE ARG A 32 8.120 -6.940 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.836 -6.200 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.009 -7.378 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.591 -8.146 7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.189 -8.469 9.231 1.00 0.00 H new ATOM 544 N PRO A 33 5.398 -2.488 4.641 1.00 0.00 N ATOM 545 CA PRO A 33 4.334 -1.469 4.648 1.00 0.00 C ATOM 546 C PRO A 33 4.760 -0.265 5.495 1.00 0.00 C ATOM 547 O PRO A 33 5.229 -0.410 6.605 1.00 0.00 O ATOM 548 CB PRO A 33 3.147 -2.195 5.286 1.00 0.00 C ATOM 549 CG PRO A 33 3.741 -3.362 6.110 1.00 0.00 C ATOM 550 CD PRO A 33 5.146 -3.632 5.541 1.00 0.00 C ATOM 0 HA PRO A 33 4.103 -1.078 3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.576 -1.520 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.463 -2.567 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.795 -3.102 7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.114 -4.250 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.893 -3.688 6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.182 -4.579 5.002 1.00 0.00 H new ATOM 558 N ALA A 34 4.604 0.923 4.976 1.00 0.00 N ATOM 559 CA ALA A 34 5.004 2.132 5.752 1.00 0.00 C ATOM 560 C ALA A 34 3.833 3.114 5.811 1.00 0.00 C ATOM 561 O ALA A 34 2.822 2.928 5.162 1.00 0.00 O ATOM 562 CB ALA A 34 6.197 2.802 5.067 1.00 0.00 C ATOM 0 H ALA A 34 4.218 1.108 4.050 1.00 0.00 H new ATOM 0 HA ALA A 34 5.281 1.839 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.492 3.686 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.032 2.103 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.918 3.095 4.055 1.00 0.00 H new ATOM 568 N THR A 35 3.960 4.158 6.583 1.00 0.00 N ATOM 569 CA THR A 35 2.853 5.150 6.683 1.00 0.00 C ATOM 570 C THR A 35 2.526 5.694 5.288 1.00 0.00 C ATOM 571 O THR A 35 3.318 5.569 4.373 1.00 0.00 O ATOM 572 CB THR A 35 3.281 6.303 7.594 1.00 0.00 C ATOM 573 OG1 THR A 35 4.692 6.456 7.531 1.00 0.00 O ATOM 574 CG2 THR A 35 2.861 6.000 9.033 1.00 0.00 C ATOM 0 H THR A 35 4.783 4.367 7.149 1.00 0.00 H new ATOM 0 HA THR A 35 1.969 4.667 7.100 1.00 0.00 H new ATOM 0 HB THR A 35 2.801 7.225 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.967 7.195 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.166 6.821 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.778 5.884 9.079 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.339 5.079 9.365 1.00 0.00 H new ATOM 582 N PRO A 36 1.362 6.280 5.168 1.00 0.00 N ATOM 583 CA PRO A 36 0.884 6.854 3.896 1.00 0.00 C ATOM 584 C PRO A 36 1.534 8.218 3.640 1.00 0.00 C ATOM 585 O PRO A 36 1.244 8.879 2.663 1.00 0.00 O ATOM 586 CB PRO A 36 -0.624 7.006 4.115 1.00 0.00 C ATOM 587 CG PRO A 36 -0.839 7.054 5.647 1.00 0.00 C ATOM 588 CD PRO A 36 0.410 6.422 6.290 1.00 0.00 C ATOM 0 HA PRO A 36 1.128 6.236 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.996 7.915 3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.167 6.171 3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.971 8.081 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.738 6.506 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.816 7.055 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.180 5.457 6.742 1.00 0.00 H new ATOM 596 N GLU A 37 2.409 8.648 4.508 1.00 0.00 N ATOM 597 CA GLU A 37 3.066 9.971 4.305 1.00 0.00 C ATOM 598 C GLU A 37 4.586 9.796 4.307 1.00 0.00 C ATOM 599 O GLU A 37 5.328 10.748 4.446 1.00 0.00 O ATOM 600 CB GLU A 37 2.661 10.921 5.435 1.00 0.00 C ATOM 601 CG GLU A 37 3.143 10.359 6.775 1.00 0.00 C ATOM 602 CD GLU A 37 2.965 11.416 7.866 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.561 12.474 7.742 1.00 0.00 O ATOM 604 OE2 GLU A 37 2.235 11.150 8.807 1.00 0.00 O ATOM 0 H GLU A 37 2.697 8.143 5.346 1.00 0.00 H new ATOM 0 HA GLU A 37 2.751 10.387 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.092 11.908 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.578 11.045 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.579 9.461 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.191 10.068 6.703 1.00 0.00 H new ATOM 611 N ASP A 38 5.057 8.590 4.154 1.00 0.00 N ATOM 612 CA ASP A 38 6.530 8.363 4.147 1.00 0.00 C ATOM 613 C ASP A 38 6.839 7.033 3.458 1.00 0.00 C ATOM 614 O ASP A 38 7.714 6.298 3.871 1.00 0.00 O ATOM 615 CB ASP A 38 7.046 8.322 5.587 1.00 0.00 C ATOM 616 CG ASP A 38 7.922 9.549 5.852 1.00 0.00 C ATOM 617 OD1 ASP A 38 8.980 9.638 5.249 1.00 0.00 O ATOM 618 OD2 ASP A 38 7.521 10.377 6.651 1.00 0.00 O ATOM 0 H ASP A 38 4.487 7.753 4.034 1.00 0.00 H new ATOM 0 HA ASP A 38 7.019 9.174 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.208 8.303 6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.620 7.410 5.753 1.00 0.00 H new ATOM 623 N ALA A 39 6.127 6.716 2.410 1.00 0.00 N ATOM 624 CA ALA A 39 6.384 5.432 1.699 1.00 0.00 C ATOM 625 C ALA A 39 7.114 5.716 0.385 1.00 0.00 C ATOM 626 O ALA A 39 6.724 6.574 -0.380 1.00 0.00 O ATOM 627 CB ALA A 39 5.053 4.739 1.402 1.00 0.00 C ATOM 0 H ALA A 39 5.381 7.289 2.017 1.00 0.00 H new ATOM 0 HA ALA A 39 6.999 4.786 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.240 3.800 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.531 4.538 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.439 5.385 0.775 1.00 0.00 H new ATOM 633 N ASP A 40 8.171 4.999 0.118 1.00 0.00 N ATOM 634 CA ASP A 40 8.925 5.227 -1.146 1.00 0.00 C ATOM 635 C ASP A 40 7.959 5.159 -2.331 1.00 0.00 C ATOM 636 O ASP A 40 8.082 5.899 -3.288 1.00 0.00 O ATOM 637 CB ASP A 40 9.999 4.147 -1.301 1.00 0.00 C ATOM 638 CG ASP A 40 11.086 4.352 -0.245 1.00 0.00 C ATOM 639 OD1 ASP A 40 10.760 4.838 0.826 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.226 4.020 -0.524 1.00 0.00 O ATOM 0 H ASP A 40 8.545 4.266 0.720 1.00 0.00 H new ATOM 0 HA ASP A 40 9.399 6.208 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.554 3.158 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.434 4.193 -2.299 1.00 0.00 H new ATOM 645 N ALA A 41 6.998 4.279 -2.274 1.00 0.00 N ATOM 646 CA ALA A 41 6.024 4.164 -3.394 1.00 0.00 C ATOM 647 C ALA A 41 4.621 3.925 -2.829 1.00 0.00 C ATOM 648 O ALA A 41 4.409 3.047 -2.016 1.00 0.00 O ATOM 649 CB ALA A 41 6.418 2.990 -4.293 1.00 0.00 C ATOM 0 H ALA A 41 6.845 3.634 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 41 6.029 5.086 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.705 2.905 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.417 3.159 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.413 2.068 -3.711 1.00 0.00 H new ATOM 655 N VAL A 42 3.663 4.702 -3.253 1.00 0.00 N ATOM 656 CA VAL A 42 2.275 4.522 -2.742 1.00 0.00 C ATOM 657 C VAL A 42 1.488 3.634 -3.709 1.00 0.00 C ATOM 658 O VAL A 42 1.173 4.029 -4.813 1.00 0.00 O ATOM 659 CB VAL A 42 1.593 5.888 -2.634 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.182 5.711 -2.071 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.405 6.788 -1.699 1.00 0.00 C ATOM 0 H VAL A 42 3.781 5.454 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 42 2.306 4.051 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 42 1.535 6.345 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.304 6.684 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.396 5.068 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.239 5.255 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.921 7.762 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.461 6.330 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.411 6.914 -2.098 1.00 0.00 H new ATOM 671 N ILE A 43 1.168 2.436 -3.302 1.00 0.00 N ATOM 672 CA ILE A 43 0.401 1.527 -4.198 1.00 0.00 C ATOM 673 C ILE A 43 -1.086 1.597 -3.842 1.00 0.00 C ATOM 674 O ILE A 43 -1.520 1.055 -2.846 1.00 0.00 O ATOM 675 CB ILE A 43 0.904 0.093 -4.024 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.334 -0.011 -4.559 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.002 -0.864 -4.801 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.939 -1.355 -4.150 1.00 0.00 C ATOM 0 H ILE A 43 1.405 2.048 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 43 0.540 1.835 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 43 0.889 -0.173 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.334 0.084 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.940 0.806 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.357 -1.886 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.021 -0.789 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.012 -0.600 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.957 -1.427 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.953 -1.432 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.338 -2.165 -4.563 1.00 0.00 H new ATOM 690 N VAL A 44 -1.866 2.266 -4.646 1.00 0.00 N ATOM 691 CA VAL A 44 -3.323 2.376 -4.352 1.00 0.00 C ATOM 692 C VAL A 44 -4.054 1.151 -4.903 1.00 0.00 C ATOM 693 O VAL A 44 -3.789 0.695 -5.997 1.00 0.00 O ATOM 694 CB VAL A 44 -3.880 3.638 -5.010 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.276 3.926 -4.456 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.958 4.820 -4.707 1.00 0.00 C ATOM 0 H VAL A 44 -1.557 2.741 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.470 2.430 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.939 3.491 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.675 4.826 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.933 3.084 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.216 4.074 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.355 5.720 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.899 4.968 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.962 4.615 -5.100 1.00 0.00 H new ATOM 706 N LEU A 45 -4.979 0.617 -4.153 1.00 0.00 N ATOM 707 CA LEU A 45 -5.733 -0.575 -4.630 1.00 0.00 C ATOM 708 C LEU A 45 -7.121 -0.140 -5.105 1.00 0.00 C ATOM 709 O LEU A 45 -7.917 0.368 -4.340 1.00 0.00 O ATOM 710 CB LEU A 45 -5.878 -1.575 -3.481 1.00 0.00 C ATOM 711 CG LEU A 45 -4.787 -2.643 -3.583 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.110 -3.592 -4.740 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.436 -1.973 -3.840 1.00 0.00 C ATOM 0 H LEU A 45 -5.245 0.956 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.196 -1.043 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.805 -1.057 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.862 -2.043 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.743 -3.205 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.333 -4.353 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.072 -4.071 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.155 -3.028 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.660 -2.735 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.480 -1.410 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.204 -1.295 -3.018 1.00 0.00 H new ATOM 725 N ALA A 46 -7.418 -0.331 -6.362 1.00 0.00 N ATOM 726 CA ALA A 46 -8.756 0.076 -6.881 1.00 0.00 C ATOM 727 C ALA A 46 -9.827 -0.870 -6.335 1.00 0.00 C ATOM 728 O ALA A 46 -11.004 -0.571 -6.358 1.00 0.00 O ATOM 729 CB ALA A 46 -8.751 0.013 -8.410 1.00 0.00 C ATOM 0 H ALA A 46 -6.794 -0.750 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.975 1.094 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.729 0.310 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.990 0.689 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.531 -1.005 -8.731 1.00 0.00 H new ATOM 735 N GLY A 47 -9.429 -2.012 -5.844 1.00 0.00 N ATOM 736 CA GLY A 47 -10.425 -2.976 -5.298 1.00 0.00 C ATOM 737 C GLY A 47 -11.202 -2.322 -4.154 1.00 0.00 C ATOM 738 O GLY A 47 -12.253 -2.787 -3.759 1.00 0.00 O ATOM 0 H GLY A 47 -8.457 -2.319 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.112 -3.289 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.919 -3.873 -4.941 1.00 0.00 H new ATOM 742 N LEU A 48 -10.695 -1.246 -3.615 1.00 0.00 N ATOM 743 CA LEU A 48 -11.407 -0.567 -2.496 1.00 0.00 C ATOM 744 C LEU A 48 -11.777 0.858 -2.912 1.00 0.00 C ATOM 745 O LEU A 48 -11.672 1.787 -2.136 1.00 0.00 O ATOM 746 CB LEU A 48 -10.498 -0.520 -1.265 1.00 0.00 C ATOM 747 CG LEU A 48 -10.161 -1.944 -0.825 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.979 -2.466 -1.645 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.791 -1.944 0.659 1.00 0.00 C ATOM 0 H LEU A 48 -9.819 -0.809 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.315 -1.121 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.584 0.027 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.993 0.015 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.026 -2.588 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.739 -3.482 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.242 -2.466 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.114 -1.823 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.550 -2.959 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.926 -1.300 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.632 -1.573 1.244 1.00 0.00 H new ATOM 761 N TRP A 49 -12.212 1.038 -4.129 1.00 0.00 N ATOM 762 CA TRP A 49 -12.589 2.405 -4.587 1.00 0.00 C ATOM 763 C TRP A 49 -14.003 2.730 -4.106 1.00 0.00 C ATOM 764 O TRP A 49 -14.339 3.872 -3.861 1.00 0.00 O ATOM 765 CB TRP A 49 -12.547 2.464 -6.115 1.00 0.00 C ATOM 766 CG TRP A 49 -12.954 3.827 -6.572 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.231 4.229 -6.779 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.109 4.974 -6.879 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.222 5.548 -7.195 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.939 6.052 -7.272 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.716 5.180 -6.856 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.403 7.292 -7.629 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.175 6.426 -7.214 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.017 7.479 -7.600 1.00 0.00 C ATOM 0 H TRP A 49 -12.322 0.300 -4.824 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.887 3.131 -4.177 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.543 2.234 -6.471 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.215 1.713 -6.537 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.112 3.619 -6.642 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.061 6.083 -7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.059 4.375 -6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.055 8.101 -7.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.105 6.574 -7.192 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.595 8.434 -7.875 1.00 0.00 H new ATOM 785 N GLY A 50 -14.834 1.734 -3.965 1.00 0.00 N ATOM 786 CA GLY A 50 -16.226 1.987 -3.497 1.00 0.00 C ATOM 787 C GLY A 50 -16.339 1.625 -2.015 1.00 0.00 C ATOM 788 O GLY A 50 -17.331 1.078 -1.575 1.00 0.00 O ATOM 0 H GLY A 50 -14.610 0.757 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.487 3.035 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.931 1.396 -4.082 1.00 0.00 H new ATOM 792 N THR A 51 -15.332 1.927 -1.242 1.00 0.00 N ATOM 793 CA THR A 51 -15.384 1.599 0.211 1.00 0.00 C ATOM 794 C THR A 51 -14.796 2.759 1.019 1.00 0.00 C ATOM 795 O THR A 51 -15.395 3.238 1.961 1.00 0.00 O ATOM 796 CB THR A 51 -14.574 0.328 0.482 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.226 0.677 0.761 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.624 -0.590 -0.741 1.00 0.00 C ATOM 0 H THR A 51 -14.476 2.386 -1.553 1.00 0.00 H new ATOM 0 HA THR A 51 -16.421 1.437 0.506 1.00 0.00 H new ATOM 0 HB THR A 51 -15.000 -0.195 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.707 -0.136 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.046 -1.493 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.659 -0.861 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.203 -0.072 -1.602 1.00 0.00 H new ATOM 806 N ARG A 52 -13.626 3.214 0.659 1.00 0.00 N ATOM 807 CA ARG A 52 -13.001 4.341 1.409 1.00 0.00 C ATOM 808 C ARG A 52 -12.531 5.412 0.423 1.00 0.00 C ATOM 809 O ARG A 52 -11.354 5.680 0.299 1.00 0.00 O ATOM 810 CB ARG A 52 -11.802 3.820 2.205 1.00 0.00 C ATOM 811 CG ARG A 52 -12.296 3.037 3.423 1.00 0.00 C ATOM 812 CD ARG A 52 -11.114 2.726 4.344 1.00 0.00 C ATOM 813 NE ARG A 52 -11.540 2.873 5.764 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.104 2.037 6.667 1.00 0.00 C ATOM 815 NH1 ARG A 52 -9.938 2.225 7.223 1.00 0.00 N ATOM 816 NH2 ARG A 52 -11.834 1.011 7.014 1.00 0.00 N ATOM 0 H ARG A 52 -13.077 2.854 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.732 4.772 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.184 3.180 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.175 4.653 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.047 3.616 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.775 2.112 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.755 1.713 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.285 3.400 4.130 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.173 3.627 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.367 3.026 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.598 1.571 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.745 0.863 6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.493 0.358 7.720 1.00 0.00 H new ATOM 830 N ARG A 53 -13.443 6.026 -0.279 1.00 0.00 N ATOM 831 CA ARG A 53 -13.050 7.080 -1.257 1.00 0.00 C ATOM 832 C ARG A 53 -12.087 8.067 -0.592 1.00 0.00 C ATOM 833 O ARG A 53 -11.329 8.749 -1.253 1.00 0.00 O ATOM 834 CB ARG A 53 -14.301 7.824 -1.728 1.00 0.00 C ATOM 835 CG ARG A 53 -13.928 8.796 -2.850 1.00 0.00 C ATOM 836 CD ARG A 53 -15.110 8.943 -3.810 1.00 0.00 C ATOM 837 NE ARG A 53 -15.825 10.218 -3.528 1.00 0.00 N ATOM 838 CZ ARG A 53 -16.557 10.776 -4.455 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.123 10.828 -5.685 1.00 0.00 N ATOM 840 NH2 ARG A 53 -17.722 11.280 -4.153 1.00 0.00 N ATOM 0 H ARG A 53 -14.445 5.843 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.556 6.617 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.048 7.113 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.748 8.368 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.662 9.767 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.053 8.430 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.758 8.932 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.791 8.099 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.743 10.656 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.213 10.433 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.694 11.264 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.062 11.239 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.293 11.715 -4.878 1.00 0.00 H new ATOM 854 N ASP A 54 -12.113 8.154 0.710 1.00 0.00 N ATOM 855 CA ASP A 54 -11.202 9.103 1.413 1.00 0.00 C ATOM 856 C ASP A 54 -9.786 8.522 1.459 1.00 0.00 C ATOM 857 O ASP A 54 -8.812 9.221 1.258 1.00 0.00 O ATOM 858 CB ASP A 54 -11.708 9.334 2.840 1.00 0.00 C ATOM 859 CG ASP A 54 -11.437 8.090 3.689 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.242 7.175 3.638 1.00 0.00 O ATOM 861 OD2 ASP A 54 -10.428 8.074 4.376 1.00 0.00 O ATOM 0 H ASP A 54 -12.725 7.609 1.318 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.184 10.051 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.211 10.200 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.776 9.552 2.827 1.00 0.00 H new ATOM 866 N GLU A 55 -9.662 7.252 1.729 1.00 0.00 N ATOM 867 CA GLU A 55 -8.309 6.632 1.793 1.00 0.00 C ATOM 868 C GLU A 55 -7.698 6.581 0.390 1.00 0.00 C ATOM 869 O GLU A 55 -6.496 6.641 0.225 1.00 0.00 O ATOM 870 CB GLU A 55 -8.426 5.212 2.350 1.00 0.00 C ATOM 871 CG GLU A 55 -7.038 4.697 2.733 1.00 0.00 C ATOM 872 CD GLU A 55 -7.159 3.731 3.913 1.00 0.00 C ATOM 873 OE1 GLU A 55 -8.062 3.913 4.713 1.00 0.00 O ATOM 874 OE2 GLU A 55 -6.347 2.824 3.996 1.00 0.00 O ATOM 0 H GLU A 55 -10.440 6.617 1.908 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.669 7.228 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.081 5.205 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.877 4.555 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.578 4.193 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.389 5.532 2.998 1.00 0.00 H new ATOM 881 N ILE A 56 -8.515 6.467 -0.621 1.00 0.00 N ATOM 882 CA ILE A 56 -7.980 6.407 -2.011 1.00 0.00 C ATOM 883 C ILE A 56 -7.576 7.808 -2.474 1.00 0.00 C ATOM 884 O ILE A 56 -6.421 8.076 -2.744 1.00 0.00 O ATOM 885 CB ILE A 56 -9.057 5.853 -2.947 1.00 0.00 C ATOM 886 CG1 ILE A 56 -9.799 4.704 -2.255 1.00 0.00 C ATOM 887 CG2 ILE A 56 -8.406 5.339 -4.232 1.00 0.00 C ATOM 888 CD1 ILE A 56 -8.792 3.773 -1.573 1.00 0.00 C ATOM 0 H ILE A 56 -9.531 6.413 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.106 5.756 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.764 6.646 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.498 5.101 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.387 4.147 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.175 4.945 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.882 6.157 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.696 4.548 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.324 2.958 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.111 3.364 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.223 4.333 -0.831 1.00 0.00 H new ATOM 900 N LEU A 57 -8.520 8.703 -2.579 1.00 0.00 N ATOM 901 CA LEU A 57 -8.194 10.085 -3.035 1.00 0.00 C ATOM 902 C LEU A 57 -7.110 10.688 -2.140 1.00 0.00 C ATOM 903 O LEU A 57 -6.140 11.246 -2.614 1.00 0.00 O ATOM 904 CB LEU A 57 -9.452 10.952 -2.965 1.00 0.00 C ATOM 905 CG LEU A 57 -9.480 11.911 -4.157 1.00 0.00 C ATOM 906 CD1 LEU A 57 -8.145 12.652 -4.247 1.00 0.00 C ATOM 907 CD2 LEU A 57 -9.707 11.116 -5.444 1.00 0.00 C ATOM 0 H LEU A 57 -9.504 8.537 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.830 10.047 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.341 10.322 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.467 11.515 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.288 12.631 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.165 13.335 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.980 13.218 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.337 11.932 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.727 11.798 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.898 10.397 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.657 10.586 -5.381 1.00 0.00 H new ATOM 919 N GLY A 58 -7.267 10.588 -0.848 1.00 0.00 N ATOM 920 CA GLY A 58 -6.248 11.164 0.075 1.00 0.00 C ATOM 921 C GLY A 58 -4.911 10.444 -0.111 1.00 0.00 C ATOM 922 O GLY A 58 -3.856 11.022 0.056 1.00 0.00 O ATOM 0 H GLY A 58 -8.057 10.132 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.128 12.229 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.583 11.066 1.108 1.00 0.00 H new ATOM 926 N ALA A 59 -4.945 9.184 -0.452 1.00 0.00 N ATOM 927 CA ALA A 59 -3.673 8.431 -0.643 1.00 0.00 C ATOM 928 C ALA A 59 -2.880 9.043 -1.800 1.00 0.00 C ATOM 929 O ALA A 59 -1.779 9.527 -1.627 1.00 0.00 O ATOM 930 CB ALA A 59 -3.991 6.968 -0.961 1.00 0.00 C ATOM 0 H ALA A 59 -5.797 8.645 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.080 8.486 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.062 6.416 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.553 6.530 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.586 6.915 -1.873 1.00 0.00 H new ATOM 936 N VAL A 60 -3.431 9.024 -2.983 1.00 0.00 N ATOM 937 CA VAL A 60 -2.707 9.602 -4.149 1.00 0.00 C ATOM 938 C VAL A 60 -2.272 11.031 -3.820 1.00 0.00 C ATOM 939 O VAL A 60 -1.143 11.418 -4.056 1.00 0.00 O ATOM 940 CB VAL A 60 -3.630 9.615 -5.369 1.00 0.00 C ATOM 941 CG1 VAL A 60 -2.861 10.132 -6.585 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.125 8.194 -5.646 1.00 0.00 C ATOM 0 H VAL A 60 -4.350 8.634 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.828 8.996 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.482 10.267 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.519 10.141 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.506 11.143 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.010 9.480 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.783 8.201 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.273 7.543 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.673 7.824 -4.779 1.00 0.00 H new ATOM 952 N ASP A 61 -3.158 11.819 -3.274 1.00 0.00 N ATOM 953 CA ASP A 61 -2.793 13.220 -2.927 1.00 0.00 C ATOM 954 C ASP A 61 -1.544 13.214 -2.048 1.00 0.00 C ATOM 955 O ASP A 61 -0.671 14.048 -2.185 1.00 0.00 O ATOM 956 CB ASP A 61 -3.949 13.876 -2.169 1.00 0.00 C ATOM 957 CG ASP A 61 -4.134 15.311 -2.666 1.00 0.00 C ATOM 958 OD1 ASP A 61 -3.463 16.188 -2.148 1.00 0.00 O ATOM 959 OD2 ASP A 61 -4.945 15.508 -3.556 1.00 0.00 O ATOM 0 H ASP A 61 -4.118 11.553 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.594 13.782 -3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.866 13.307 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.744 13.874 -1.098 1.00 0.00 H new ATOM 964 N LEU A 62 -1.449 12.278 -1.144 1.00 0.00 N ATOM 965 CA LEU A 62 -0.255 12.218 -0.259 1.00 0.00 C ATOM 966 C LEU A 62 0.996 12.003 -1.113 1.00 0.00 C ATOM 967 O LEU A 62 1.994 12.675 -0.948 1.00 0.00 O ATOM 968 CB LEU A 62 -0.406 11.059 0.728 1.00 0.00 C ATOM 969 CG LEU A 62 -0.955 11.588 2.054 1.00 0.00 C ATOM 970 CD1 LEU A 62 -1.802 10.505 2.727 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.209 11.969 2.973 1.00 0.00 C ATOM 0 H LEU A 62 -2.147 11.553 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.164 13.153 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.078 10.304 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.558 10.575 0.888 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.573 12.466 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.193 10.883 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.632 10.234 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.186 9.626 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.182 12.346 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.827 11.091 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.812 12.742 2.496 1.00 0.00 H new ATOM 983 N ALA A 63 0.950 11.073 -2.027 1.00 0.00 N ATOM 984 CA ALA A 63 2.138 10.820 -2.892 1.00 0.00 C ATOM 985 C ALA A 63 2.593 12.130 -3.540 1.00 0.00 C ATOM 986 O ALA A 63 3.759 12.474 -3.513 1.00 0.00 O ATOM 987 CB ALA A 63 1.770 9.813 -3.984 1.00 0.00 C ATOM 0 H ALA A 63 0.143 10.478 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 63 2.948 10.418 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.639 9.628 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.451 8.878 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.958 10.215 -4.591 1.00 0.00 H new ATOM 993 N ARG A 64 1.686 12.861 -4.125 1.00 0.00 N ATOM 994 CA ARG A 64 2.072 14.146 -4.776 1.00 0.00 C ATOM 995 C ARG A 64 2.606 15.121 -3.723 1.00 0.00 C ATOM 996 O ARG A 64 3.388 16.003 -4.021 1.00 0.00 O ATOM 997 CB ARG A 64 0.850 14.755 -5.464 1.00 0.00 C ATOM 998 CG ARG A 64 0.249 13.738 -6.435 1.00 0.00 C ATOM 999 CD ARG A 64 -1.212 14.097 -6.710 1.00 0.00 C ATOM 1000 NE ARG A 64 -1.310 14.827 -8.006 1.00 0.00 N ATOM 1001 CZ ARG A 64 -0.402 15.708 -8.329 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -0.264 16.793 -7.617 1.00 0.00 N ATOM 1003 NH2 ARG A 64 0.367 15.503 -9.363 1.00 0.00 N ATOM 0 H ARG A 64 0.695 12.626 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 64 2.850 13.956 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.108 15.045 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.135 15.660 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.814 13.731 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.315 12.735 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.820 13.193 -6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.604 14.715 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.086 14.638 -8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.865 16.952 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.445 17.482 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.259 14.655 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.076 16.191 -9.615 1.00 0.00 H new ATOM 1017 N LYS A 65 2.190 14.975 -2.494 1.00 0.00 N ATOM 1018 CA LYS A 65 2.676 15.900 -1.429 1.00 0.00 C ATOM 1019 C LYS A 65 3.583 15.138 -0.461 1.00 0.00 C ATOM 1020 O LYS A 65 3.872 15.599 0.626 1.00 0.00 O ATOM 1021 CB LYS A 65 1.481 16.470 -0.663 1.00 0.00 C ATOM 1022 CG LYS A 65 1.828 17.865 -0.138 1.00 0.00 C ATOM 1023 CD LYS A 65 0.556 18.710 -0.051 1.00 0.00 C ATOM 1024 CE LYS A 65 0.737 19.991 -0.865 1.00 0.00 C ATOM 1025 NZ LYS A 65 -0.118 19.930 -2.084 1.00 0.00 N ATOM 0 H LYS A 65 1.536 14.257 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 65 3.237 16.714 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.609 16.522 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.220 15.812 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.295 17.790 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.551 18.344 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.296 18.144 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.340 18.955 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.468 20.859 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.783 20.111 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.005 20.801 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.159 19.111 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.115 19.835 -1.804 1.00 0.00 H new ATOM 1039 N SER A 66 4.034 13.975 -0.843 1.00 0.00 N ATOM 1040 CA SER A 66 4.920 13.188 0.059 1.00 0.00 C ATOM 1041 C SER A 66 5.972 12.456 -0.776 1.00 0.00 C ATOM 1042 O SER A 66 7.155 12.704 -0.657 1.00 0.00 O ATOM 1043 CB SER A 66 4.086 12.170 0.836 1.00 0.00 C ATOM 1044 OG SER A 66 3.288 12.851 1.796 1.00 0.00 O ATOM 0 H SER A 66 3.827 13.536 -1.740 1.00 0.00 H new ATOM 0 HA SER A 66 5.414 13.860 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.451 11.606 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.738 11.451 1.332 1.00 0.00 H new ATOM 0 HG SER A 66 3.396 12.426 2.672 1.00 0.00 H new ATOM 1050 N SER A 67 5.551 11.557 -1.625 1.00 0.00 N ATOM 1051 CA SER A 67 6.528 10.818 -2.467 1.00 0.00 C ATOM 1052 C SER A 67 6.388 11.283 -3.918 1.00 0.00 C ATOM 1053 O SER A 67 7.008 12.245 -4.324 1.00 0.00 O ATOM 1054 CB SER A 67 6.251 9.316 -2.373 1.00 0.00 C ATOM 1055 OG SER A 67 6.500 8.877 -1.044 1.00 0.00 O ATOM 0 H SER A 67 4.573 11.305 -1.770 1.00 0.00 H new ATOM 0 HA SER A 67 7.542 11.015 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.218 9.107 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.885 8.773 -3.073 1.00 0.00 H new ATOM 0 HG SER A 67 6.800 7.944 -1.058 1.00 0.00 H new ATOM 1061 N LYS A 68 5.566 10.614 -4.690 1.00 0.00 N ATOM 1062 CA LYS A 68 5.363 11.012 -6.119 1.00 0.00 C ATOM 1063 C LYS A 68 4.893 9.801 -6.948 1.00 0.00 C ATOM 1064 O LYS A 68 3.958 9.918 -7.715 1.00 0.00 O ATOM 1065 CB LYS A 68 6.668 11.576 -6.706 1.00 0.00 C ATOM 1066 CG LYS A 68 6.622 11.533 -8.237 1.00 0.00 C ATOM 1067 CD LYS A 68 7.301 12.781 -8.803 1.00 0.00 C ATOM 1068 CE LYS A 68 8.277 12.376 -9.909 1.00 0.00 C ATOM 1069 NZ LYS A 68 7.534 12.208 -11.189 1.00 0.00 N ATOM 0 H LYS A 68 5.024 9.804 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 68 4.596 11.786 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.814 12.602 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.518 10.997 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.123 10.636 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.588 11.482 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.552 13.467 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.832 13.310 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.051 13.135 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.780 11.446 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.197 11.933 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.811 11.469 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.074 13.105 -11.444 1.00 0.00 H new ATOM 1083 N PRO A 69 5.556 8.678 -6.787 1.00 0.00 N ATOM 1084 CA PRO A 69 5.214 7.453 -7.532 1.00 0.00 C ATOM 1085 C PRO A 69 3.988 6.773 -6.917 1.00 0.00 C ATOM 1086 O PRO A 69 3.999 6.371 -5.770 1.00 0.00 O ATOM 1087 CB PRO A 69 6.458 6.578 -7.377 1.00 0.00 C ATOM 1088 CG PRO A 69 7.192 7.083 -6.114 1.00 0.00 C ATOM 1089 CD PRO A 69 6.693 8.517 -5.857 1.00 0.00 C ATOM 0 HA PRO A 69 4.961 7.645 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.184 5.528 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.099 6.655 -8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.980 6.440 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.272 7.070 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.382 8.651 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.474 9.251 -6.052 1.00 0.00 H new ATOM 1097 N ILE A 70 2.933 6.637 -7.673 1.00 0.00 N ATOM 1098 CA ILE A 70 1.710 5.979 -7.135 1.00 0.00 C ATOM 1099 C ILE A 70 1.305 4.827 -8.058 1.00 0.00 C ATOM 1100 O ILE A 70 0.773 5.038 -9.131 1.00 0.00 O ATOM 1101 CB ILE A 70 0.571 6.997 -7.061 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.964 8.133 -6.113 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.693 6.312 -6.537 1.00 0.00 C ATOM 1104 CD1 ILE A 70 1.028 9.449 -6.891 1.00 0.00 C ATOM 0 H ILE A 70 2.866 6.953 -8.640 1.00 0.00 H new ATOM 0 HA ILE A 70 1.915 5.592 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 70 0.380 7.401 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.239 8.212 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.931 7.921 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.505 7.038 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.974 5.502 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.502 5.908 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.308 10.258 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.770 9.366 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.052 9.662 -7.327 1.00 0.00 H new ATOM 1116 N ILE A 71 1.552 3.612 -7.653 1.00 0.00 N ATOM 1117 CA ILE A 71 1.179 2.451 -8.510 1.00 0.00 C ATOM 1118 C ILE A 71 -0.233 1.987 -8.151 1.00 0.00 C ATOM 1119 O ILE A 71 -0.504 1.599 -7.031 1.00 0.00 O ATOM 1120 CB ILE A 71 2.169 1.308 -8.280 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.577 1.774 -8.657 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.782 0.110 -9.151 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.345 2.157 -7.391 1.00 0.00 C ATOM 0 H ILE A 71 1.996 3.373 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 71 1.207 2.748 -9.558 1.00 0.00 H new ATOM 0 HB ILE A 71 2.147 1.015 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.104 0.981 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.520 2.627 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.489 -0.703 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.778 -0.222 -8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.804 0.402 -10.201 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.348 2.489 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.821 2.964 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.414 1.292 -6.732 1.00 0.00 H new ATOM 1135 N THR A 72 -1.139 2.029 -9.088 1.00 0.00 N ATOM 1136 CA THR A 72 -2.532 1.596 -8.795 1.00 0.00 C ATOM 1137 C THR A 72 -2.784 0.216 -9.406 1.00 0.00 C ATOM 1138 O THR A 72 -2.349 -0.080 -10.504 1.00 0.00 O ATOM 1139 CB THR A 72 -3.515 2.604 -9.396 1.00 0.00 C ATOM 1140 OG1 THR A 72 -4.836 2.272 -8.993 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.420 2.562 -10.922 1.00 0.00 C ATOM 0 H THR A 72 -0.974 2.345 -10.044 1.00 0.00 H new ATOM 0 HA THR A 72 -2.673 1.544 -7.715 1.00 0.00 H new ATOM 0 HB THR A 72 -3.269 3.606 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.422 2.250 -9.778 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.120 3.280 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.406 2.816 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.666 1.560 -11.274 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.486 -0.630 -8.703 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.773 -1.987 -9.241 1.00 0.00 C ATOM 1151 C VAL A 73 -5.253 -2.075 -9.615 1.00 0.00 C ATOM 1152 O VAL A 73 -6.125 -1.802 -8.813 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.448 -3.040 -8.179 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.985 -4.401 -8.628 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.931 -3.127 -7.997 1.00 0.00 C ATOM 0 H VAL A 73 -3.873 -0.439 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.160 -2.168 -10.124 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.914 -2.759 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.754 -5.151 -7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.065 -4.340 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.519 -4.682 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.698 -3.877 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.467 -3.408 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.547 -2.158 -7.678 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.543 -2.447 -10.832 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.965 -2.547 -11.263 1.00 0.00 C ATOM 1167 C ARG A 74 -7.672 -3.639 -10.458 1.00 0.00 C ATOM 1168 O ARG A 74 -7.029 -4.452 -9.822 1.00 0.00 O ATOM 1169 CB ARG A 74 -7.020 -2.896 -12.751 1.00 0.00 C ATOM 1170 CG ARG A 74 -7.348 -1.640 -13.560 1.00 0.00 C ATOM 1171 CD ARG A 74 -8.220 -2.017 -14.760 1.00 0.00 C ATOM 1172 NE ARG A 74 -7.871 -3.391 -15.218 1.00 0.00 N ATOM 1173 CZ ARG A 74 -8.687 -4.046 -15.999 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -8.752 -3.750 -17.268 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -9.436 -4.995 -15.510 1.00 0.00 N ATOM 0 H ARG A 74 -4.855 -2.686 -11.547 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.463 -1.593 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.064 -3.310 -13.074 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.775 -3.662 -12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.868 -0.916 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.429 -1.164 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.274 -1.971 -14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.070 -1.303 -15.570 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.994 -3.820 -14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.166 -3.007 -17.649 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.389 -4.261 -17.879 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.384 -5.225 -14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.074 -5.507 -16.120 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.977 -3.625 -10.515 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.813 -4.607 -9.804 1.00 0.00 C ATOM 1191 C PRO A 75 -9.833 -5.934 -10.568 1.00 0.00 C ATOM 1192 O PRO A 75 -9.494 -5.995 -11.733 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.200 -3.958 -9.794 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.215 -2.944 -10.962 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.743 -2.630 -11.292 1.00 0.00 C ATOM 0 HA PRO A 75 -9.452 -4.837 -8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.981 -4.708 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.389 -3.459 -8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.726 -3.360 -11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.751 -2.037 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.546 -2.722 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.479 -1.612 -11.005 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.223 -6.998 -9.922 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.260 -8.317 -10.617 1.00 0.00 C ATOM 1205 C TYR A 76 -11.353 -8.304 -11.686 1.00 0.00 C ATOM 1206 O TYR A 76 -11.097 -8.532 -12.852 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.553 -9.421 -9.601 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.080 -10.746 -10.148 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -10.701 -11.301 -11.276 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -9.019 -11.422 -9.529 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -10.261 -12.531 -11.783 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -8.580 -12.651 -10.037 1.00 0.00 C ATOM 1213 CZ TYR A 76 -9.201 -13.206 -11.164 1.00 0.00 C ATOM 1214 OH TYR A 76 -8.768 -14.416 -11.665 1.00 0.00 O ATOM 0 H TYR A 76 -10.517 -7.012 -8.945 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.295 -8.504 -11.089 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.051 -9.205 -8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.622 -9.463 -9.391 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.518 -10.781 -11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.540 -10.995 -8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.739 -12.959 -12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.763 -13.171 -9.560 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.025 -14.749 -11.120 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.572 -8.039 -11.300 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.679 -8.013 -12.297 1.00 0.00 C ATOM 1226 C GLY A 77 -14.992 -7.664 -11.596 1.00 0.00 C ATOM 1227 O GLY A 77 -15.753 -8.530 -11.213 1.00 0.00 O ATOM 0 H GLY A 77 -12.848 -7.840 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.464 -7.280 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.763 -8.983 -12.787 1.00 0.00 H new ATOM 1231 N LEU A 78 -15.265 -6.400 -11.424 1.00 0.00 N ATOM 1232 CA LEU A 78 -16.528 -5.994 -10.749 1.00 0.00 C ATOM 1233 C LEU A 78 -17.012 -4.664 -11.328 1.00 0.00 C ATOM 1234 O LEU A 78 -18.035 -4.595 -11.979 1.00 0.00 O ATOM 1235 CB LEU A 78 -16.276 -5.836 -9.248 1.00 0.00 C ATOM 1236 CG LEU A 78 -17.276 -6.690 -8.468 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -18.699 -6.322 -8.888 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -17.023 -8.169 -8.768 1.00 0.00 C ATOM 0 H LEU A 78 -14.666 -5.630 -11.723 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.288 -6.758 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.257 -6.139 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.374 -4.789 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.155 -6.508 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -19.412 -6.931 -8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -18.880 -5.268 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -18.822 -6.504 -9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.735 -8.780 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.145 -8.350 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.008 -8.432 -8.469 1.00 0.00 H new ATOM 1250 N GLU A 79 -16.284 -3.606 -11.095 1.00 0.00 N ATOM 1251 CA GLU A 79 -16.698 -2.282 -11.629 1.00 0.00 C ATOM 1252 C GLU A 79 -15.655 -1.802 -12.640 1.00 0.00 C ATOM 1253 O GLU A 79 -15.090 -2.583 -13.381 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.802 -1.284 -10.473 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.951 -0.310 -10.741 1.00 0.00 C ATOM 1256 CD GLU A 79 -18.623 0.067 -9.419 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -18.114 0.949 -8.748 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -19.637 -0.535 -9.100 1.00 0.00 O ATOM 0 H GLU A 79 -15.418 -3.604 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.667 -2.363 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.971 -1.814 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.865 -0.737 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.575 0.584 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.678 -0.766 -11.413 1.00 0.00 H new ATOM 1265 N ASN A 80 -15.397 -0.527 -12.679 1.00 0.00 N ATOM 1266 CA ASN A 80 -14.390 0.000 -13.645 1.00 0.00 C ATOM 1267 C ASN A 80 -13.706 1.231 -13.047 1.00 0.00 C ATOM 1268 O ASN A 80 -14.347 2.201 -12.698 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.090 0.390 -14.949 1.00 0.00 C ATOM 1270 CG ASN A 80 -14.672 -0.574 -16.061 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -13.705 -0.334 -16.757 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -15.364 -1.662 -16.261 1.00 0.00 N ATOM 0 H ASN A 80 -15.838 0.175 -12.085 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.644 -0.768 -13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.171 0.362 -14.816 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.829 1.412 -15.222 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.093 -2.310 -17.001 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.176 -1.865 -15.678 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.407 1.200 -12.925 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.686 2.369 -12.349 1.00 0.00 C ATOM 1281 C VAL A 81 -12.104 3.640 -13.098 1.00 0.00 C ATOM 1282 O VAL A 81 -12.213 3.635 -14.308 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.176 2.159 -12.498 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.442 3.458 -12.161 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.720 1.054 -11.543 1.00 0.00 C ATOM 0 H VAL A 81 -11.815 0.416 -13.199 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.935 2.470 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.949 1.871 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.368 3.307 -12.267 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.767 4.246 -12.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.668 3.748 -11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.646 0.903 -11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.948 1.343 -10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.242 0.127 -11.783 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.331 4.697 -12.355 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.745 5.990 -12.925 1.00 0.00 C ATOM 1297 C PRO A 82 -11.541 6.722 -13.530 1.00 0.00 C ATOM 1298 O PRO A 82 -10.408 6.367 -13.272 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.299 6.753 -11.719 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.666 6.106 -10.464 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.196 4.700 -10.884 1.00 0.00 C ATOM 0 HA PRO A 82 -13.472 5.889 -13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.046 7.812 -11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.386 6.687 -11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.829 6.702 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.390 6.046 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.166 4.517 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.808 3.922 -10.426 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.829 7.727 -14.318 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.795 8.540 -14.981 1.00 0.00 C ATOM 1311 C PRO A 83 -10.184 9.538 -13.993 1.00 0.00 C ATOM 1312 O PRO A 83 -9.380 10.373 -14.356 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.564 9.266 -16.087 1.00 0.00 C ATOM 1314 CG PRO A 83 -13.048 9.279 -15.651 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.214 8.144 -14.622 1.00 0.00 C ATOM 0 HA PRO A 83 -9.964 7.948 -15.365 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.189 10.281 -16.219 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.444 8.755 -17.043 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.315 10.241 -15.213 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.705 9.125 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.732 8.490 -13.727 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.798 7.319 -15.029 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.563 9.459 -12.746 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.007 10.403 -11.737 1.00 0.00 C ATOM 1325 C GLU A 84 -8.665 9.871 -11.226 1.00 0.00 C ATOM 1326 O GLU A 84 -7.756 10.625 -10.940 1.00 0.00 O ATOM 1327 CB GLU A 84 -10.985 10.530 -10.568 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.285 11.170 -11.059 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.156 11.545 -9.858 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -13.365 10.689 -9.014 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -13.597 12.681 -9.803 1.00 0.00 O ATOM 0 H GLU A 84 -11.234 8.781 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.858 11.381 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.189 9.548 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.545 11.136 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.064 12.057 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.821 10.478 -11.708 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.535 8.578 -11.111 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.252 8.000 -10.622 1.00 0.00 C ATOM 1340 C LEU A 85 -6.356 7.661 -11.813 1.00 0.00 C ATOM 1341 O LEU A 85 -5.205 7.306 -11.654 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.536 6.726 -9.824 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.325 6.392 -8.954 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -6.770 6.233 -7.500 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.694 5.086 -9.442 1.00 0.00 C ATOM 0 H LEU A 85 -9.261 7.897 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.750 8.727 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.419 6.864 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.750 5.899 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.593 7.197 -9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.906 5.995 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.220 7.163 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.501 5.428 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.830 4.846 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.425 4.281 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.377 5.200 -10.479 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.872 7.764 -13.007 1.00 0.00 N ATOM 1358 CA GLU A 86 -6.045 7.444 -14.203 1.00 0.00 C ATOM 1359 C GLU A 86 -5.377 8.720 -14.721 1.00 0.00 C ATOM 1360 O GLU A 86 -4.522 8.678 -15.582 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.938 6.853 -15.295 1.00 0.00 C ATOM 1362 CG GLU A 86 -6.950 5.328 -15.174 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.769 4.705 -16.558 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -7.621 4.926 -17.401 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -5.779 4.018 -16.752 1.00 0.00 O ATOM 0 H GLU A 86 -7.829 8.056 -13.205 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.277 6.720 -13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.951 7.244 -15.202 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.572 7.148 -16.278 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.152 4.999 -14.508 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.890 4.995 -14.734 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.760 9.855 -14.201 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.145 11.131 -14.665 1.00 0.00 C ATOM 1374 C ALA A 87 -4.034 11.547 -13.697 1.00 0.00 C ATOM 1375 O ALA A 87 -3.326 12.508 -13.926 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.213 12.226 -14.710 1.00 0.00 C ATOM 0 H ALA A 87 -6.471 9.953 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.726 10.988 -15.661 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.763 13.159 -15.049 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.005 11.933 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.632 12.367 -13.714 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.874 10.831 -12.616 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.810 11.191 -11.638 1.00 0.00 C ATOM 1384 C VAL A 88 -1.870 9.999 -11.444 1.00 0.00 C ATOM 1385 O VAL A 88 -0.667 10.151 -11.373 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.453 11.558 -10.300 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.063 12.958 -10.397 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.552 10.547 -9.967 1.00 0.00 C ATOM 0 H VAL A 88 -4.433 10.014 -12.369 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.242 12.042 -12.014 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.696 11.543 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.522 13.222 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.282 13.680 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.821 12.971 -11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.010 10.809 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.310 10.562 -10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.120 9.549 -9.900 1.00 0.00 H new ATOM 1398 N SER A 89 -2.407 8.813 -11.359 1.00 0.00 N ATOM 1399 CA SER A 89 -1.541 7.616 -11.171 1.00 0.00 C ATOM 1400 C SER A 89 -0.366 7.680 -12.150 1.00 0.00 C ATOM 1401 O SER A 89 -0.435 8.325 -13.176 1.00 0.00 O ATOM 1402 CB SER A 89 -2.357 6.350 -11.434 1.00 0.00 C ATOM 1403 OG SER A 89 -2.950 5.915 -10.217 1.00 0.00 O ATOM 0 H SER A 89 -3.407 8.622 -11.412 1.00 0.00 H new ATOM 0 HA SER A 89 -1.162 7.597 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.129 6.548 -12.178 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.716 5.568 -11.840 1.00 0.00 H new ATOM 0 HG SER A 89 -2.286 5.428 -9.685 1.00 0.00 H new ATOM 1409 N SER A 90 0.712 7.013 -11.840 1.00 0.00 N ATOM 1410 CA SER A 90 1.891 7.035 -12.753 1.00 0.00 C ATOM 1411 C SER A 90 2.256 5.603 -13.154 1.00 0.00 C ATOM 1412 O SER A 90 3.111 5.383 -13.988 1.00 0.00 O ATOM 1413 CB SER A 90 3.077 7.682 -12.037 1.00 0.00 C ATOM 1414 OG SER A 90 2.918 9.095 -12.046 1.00 0.00 O ATOM 0 H SER A 90 0.828 6.454 -10.995 1.00 0.00 H new ATOM 0 HA SER A 90 1.647 7.610 -13.646 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.140 7.318 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.009 7.406 -12.531 1.00 0.00 H new ATOM 0 HG SER A 90 3.676 9.512 -11.586 1.00 0.00 H new ATOM 1420 N GLU A 91 1.614 4.629 -12.567 1.00 0.00 N ATOM 1421 CA GLU A 91 1.926 3.215 -12.918 1.00 0.00 C ATOM 1422 C GLU A 91 0.679 2.352 -12.718 1.00 0.00 C ATOM 1423 O GLU A 91 0.362 1.946 -11.617 1.00 0.00 O ATOM 1424 CB GLU A 91 3.052 2.702 -12.016 1.00 0.00 C ATOM 1425 CG GLU A 91 4.403 3.117 -12.600 1.00 0.00 C ATOM 1426 CD GLU A 91 5.494 2.179 -12.081 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.271 1.553 -11.058 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.533 2.102 -12.716 1.00 0.00 O ATOM 0 H GLU A 91 0.888 4.752 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 91 2.241 3.161 -13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.939 3.106 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.998 1.617 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.366 3.082 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.631 4.146 -12.322 1.00 0.00 H new ATOM 1435 N VAL A 92 -0.033 2.070 -13.775 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.259 1.234 -13.649 1.00 0.00 C ATOM 1437 C VAL A 92 -0.955 -0.189 -14.119 1.00 0.00 C ATOM 1438 O VAL A 92 -0.432 -0.398 -15.196 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.370 1.830 -14.516 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.639 0.987 -14.371 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -2.657 3.263 -14.064 1.00 0.00 C ATOM 0 H VAL A 92 0.182 2.383 -14.721 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.580 1.212 -12.608 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.053 1.834 -15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.430 1.412 -14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.436 -0.034 -14.693 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.956 0.983 -13.328 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.448 3.688 -14.682 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.973 3.259 -13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.754 3.865 -14.167 1.00 0.00 H new ATOM 1451 N VAL A 93 -1.276 -1.170 -13.321 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.999 -2.578 -13.731 1.00 0.00 C ATOM 1453 C VAL A 93 -2.230 -3.444 -13.456 1.00 0.00 C ATOM 1454 O VAL A 93 -3.160 -3.028 -12.793 1.00 0.00 O ATOM 1455 CB VAL A 93 0.191 -3.116 -12.937 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.442 -2.303 -13.278 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.101 -2.997 -11.440 1.00 0.00 C ATOM 0 H VAL A 93 -1.716 -1.060 -12.407 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.768 -2.606 -14.796 1.00 0.00 H new ATOM 0 HB VAL A 93 0.357 -4.162 -13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.291 -2.687 -12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.650 -2.386 -14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.277 -1.257 -13.021 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.747 -3.380 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.266 -1.951 -11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.992 -3.575 -11.196 1.00 0.00 H new ATOM 1467 N GLY A 94 -2.244 -4.646 -13.963 1.00 0.00 N ATOM 1468 CA GLY A 94 -3.414 -5.541 -13.734 1.00 0.00 C ATOM 1469 C GLY A 94 -3.047 -6.612 -12.706 1.00 0.00 C ATOM 1470 O GLY A 94 -2.276 -6.376 -11.798 1.00 0.00 O ATOM 0 H GLY A 94 -1.495 -5.048 -14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.266 -4.960 -13.380 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.715 -6.010 -14.671 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.594 -7.789 -12.842 1.00 0.00 N ATOM 1475 CA TRP A 95 -3.278 -8.873 -11.871 1.00 0.00 C ATOM 1476 C TRP A 95 -2.146 -9.743 -12.423 1.00 0.00 C ATOM 1477 O TRP A 95 -2.107 -10.938 -12.208 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.521 -9.739 -11.653 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.457 -9.044 -10.718 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.511 -8.285 -11.096 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.442 -9.028 -9.261 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -7.146 -7.806 -9.965 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.525 -8.236 -8.808 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.603 -9.619 -8.297 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.766 -8.039 -7.448 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.842 -9.423 -6.926 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.922 -8.633 -6.503 1.00 0.00 C ATOM 0 H TRP A 95 -4.246 -8.046 -13.583 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.968 -8.431 -10.924 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -5.016 -9.929 -12.605 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.235 -10.708 -11.244 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.808 -8.086 -12.115 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.972 -7.208 -9.983 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.769 -10.228 -8.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.599 -7.432 -7.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.192 -9.882 -6.195 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.102 -8.484 -5.449 1.00 0.00 H new ATOM 1498 N ASN A 96 -1.223 -9.153 -13.133 1.00 0.00 N ATOM 1499 CA ASN A 96 -0.095 -9.949 -13.693 1.00 0.00 C ATOM 1500 C ASN A 96 1.182 -9.657 -12.898 1.00 0.00 C ATOM 1501 O ASN A 96 1.382 -8.552 -12.436 1.00 0.00 O ATOM 1502 CB ASN A 96 0.121 -9.567 -15.160 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.690 -10.505 -16.057 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.169 -11.059 -17.006 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -1.952 -10.709 -15.797 1.00 0.00 N ATOM 0 H ASN A 96 -1.202 -8.156 -13.349 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.332 -11.011 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.184 -8.534 -15.326 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.180 -9.631 -15.411 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.500 -11.333 -16.389 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.390 -10.245 -15.001 1.00 0.00 H new ATOM 1512 N PRO A 97 2.008 -10.664 -12.761 1.00 0.00 N ATOM 1513 CA PRO A 97 3.280 -10.555 -12.025 1.00 0.00 C ATOM 1514 C PRO A 97 4.341 -9.859 -12.883 1.00 0.00 C ATOM 1515 O PRO A 97 5.198 -9.159 -12.381 1.00 0.00 O ATOM 1516 CB PRO A 97 3.666 -12.013 -11.760 1.00 0.00 C ATOM 1517 CG PRO A 97 2.926 -12.861 -12.822 1.00 0.00 C ATOM 1518 CD PRO A 97 1.751 -12.004 -13.329 1.00 0.00 C ATOM 0 HA PRO A 97 3.196 -9.966 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.745 -12.149 -11.837 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.378 -12.314 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.595 -13.125 -13.641 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.566 -13.795 -12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.720 -11.976 -14.418 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.794 -12.402 -12.993 1.00 0.00 H new ATOM 1526 N HIS A 98 4.292 -10.049 -14.173 1.00 0.00 N ATOM 1527 CA HIS A 98 5.299 -9.403 -15.063 1.00 0.00 C ATOM 1528 C HIS A 98 5.063 -7.891 -15.092 1.00 0.00 C ATOM 1529 O HIS A 98 5.992 -7.109 -15.064 1.00 0.00 O ATOM 1530 CB HIS A 98 5.164 -9.968 -16.478 1.00 0.00 C ATOM 1531 CG HIS A 98 6.440 -9.725 -17.240 1.00 0.00 C ATOM 1532 ND1 HIS A 98 7.667 -10.190 -16.792 1.00 0.00 N ATOM 1533 CD2 HIS A 98 6.694 -9.068 -18.417 1.00 0.00 C ATOM 1534 CE1 HIS A 98 8.596 -9.808 -17.689 1.00 0.00 C ATOM 1535 NE2 HIS A 98 8.056 -9.122 -18.700 1.00 0.00 N ATOM 0 H HIS A 98 3.598 -10.624 -14.650 1.00 0.00 H new ATOM 0 HA HIS A 98 6.301 -9.605 -14.684 1.00 0.00 H new ATOM 0 HB2 HIS A 98 4.951 -11.036 -16.436 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.326 -9.496 -16.991 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.950 -8.582 -19.031 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.649 -10.029 -17.602 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.538 -8.724 -19.506 1.00 0.00 H new ATOM 1543 N CYS A 99 3.828 -7.475 -15.153 1.00 0.00 N ATOM 1544 CA CYS A 99 3.535 -6.015 -15.190 1.00 0.00 C ATOM 1545 C CYS A 99 3.759 -5.406 -13.804 1.00 0.00 C ATOM 1546 O CYS A 99 4.075 -4.240 -13.671 1.00 0.00 O ATOM 1547 CB CYS A 99 2.080 -5.800 -15.611 1.00 0.00 C ATOM 1548 SG CYS A 99 2.034 -4.838 -17.143 1.00 0.00 S ATOM 0 H CYS A 99 3.009 -8.083 -15.179 1.00 0.00 H new ATOM 0 HA CYS A 99 4.200 -5.532 -15.906 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.586 -6.761 -15.757 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.535 -5.278 -14.824 1.00 0.00 H new ATOM 0 HG CYS A 99 0.799 -4.656 -17.504 1.00 0.00 H new ATOM 1554 N ILE A 100 3.596 -6.182 -12.768 1.00 0.00 N ATOM 1555 CA ILE A 100 3.799 -5.641 -11.393 1.00 0.00 C ATOM 1556 C ILE A 100 5.295 -5.476 -11.121 1.00 0.00 C ATOM 1557 O ILE A 100 5.710 -4.594 -10.394 1.00 0.00 O ATOM 1558 CB ILE A 100 3.197 -6.606 -10.369 1.00 0.00 C ATOM 1559 CG1 ILE A 100 1.669 -6.533 -10.437 1.00 0.00 C ATOM 1560 CG2 ILE A 100 3.660 -6.215 -8.964 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.067 -7.652 -9.583 1.00 0.00 C ATOM 0 H ILE A 100 3.331 -7.166 -12.813 1.00 0.00 H new ATOM 0 HA ILE A 100 3.308 -4.671 -11.311 1.00 0.00 H new ATOM 0 HB ILE A 100 3.525 -7.621 -10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.324 -5.563 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.335 -6.629 -11.470 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.231 -6.903 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.748 -6.264 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.332 -5.200 -8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.021 -7.601 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.402 -8.618 -9.961 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.391 -7.535 -8.549 1.00 0.00 H new ATOM 1573 N ARG A 101 6.110 -6.316 -11.697 1.00 0.00 N ATOM 1574 CA ARG A 101 7.579 -6.205 -11.467 1.00 0.00 C ATOM 1575 C ARG A 101 8.110 -4.947 -12.159 1.00 0.00 C ATOM 1576 O ARG A 101 8.892 -4.203 -11.602 1.00 0.00 O ATOM 1577 CB ARG A 101 8.280 -7.438 -12.042 1.00 0.00 C ATOM 1578 CG ARG A 101 9.790 -7.304 -11.846 1.00 0.00 C ATOM 1579 CD ARG A 101 10.518 -8.190 -12.859 1.00 0.00 C ATOM 1580 NE ARG A 101 11.457 -9.097 -12.140 1.00 0.00 N ATOM 1581 CZ ARG A 101 12.674 -9.257 -12.581 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.893 -9.391 -13.861 1.00 0.00 N ATOM 1583 NH2 ARG A 101 13.674 -9.284 -11.742 1.00 0.00 N ATOM 0 H ARG A 101 5.823 -7.074 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 101 7.776 -6.141 -10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.917 -8.339 -11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.048 -7.540 -13.102 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.093 -6.265 -11.973 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.063 -7.594 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.798 -8.774 -13.431 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.065 -7.573 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 101 11.148 -9.592 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.112 -9.371 -14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.845 -9.516 -14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.503 -9.180 -10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.626 -9.409 -12.087 1.00 0.00 H new ATOM 1597 N ASP A 102 7.692 -4.707 -13.372 1.00 0.00 N ATOM 1598 CA ASP A 102 8.174 -3.500 -14.100 1.00 0.00 C ATOM 1599 C ASP A 102 7.686 -2.240 -13.382 1.00 0.00 C ATOM 1600 O ASP A 102 8.199 -1.158 -13.589 1.00 0.00 O ATOM 1601 CB ASP A 102 7.629 -3.517 -15.529 1.00 0.00 C ATOM 1602 CG ASP A 102 8.139 -4.763 -16.254 1.00 0.00 C ATOM 1603 OD1 ASP A 102 8.562 -5.686 -15.579 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.095 -4.774 -17.473 1.00 0.00 O ATOM 0 H ASP A 102 7.038 -5.294 -13.890 1.00 0.00 H new ATOM 0 HA ASP A 102 9.264 -3.502 -14.126 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.539 -3.512 -15.514 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.944 -2.619 -16.061 1.00 0.00 H new ATOM 1609 N ALA A 103 6.696 -2.369 -12.541 1.00 0.00 N ATOM 1610 CA ALA A 103 6.177 -1.179 -11.812 1.00 0.00 C ATOM 1611 C ALA A 103 7.150 -0.799 -10.693 1.00 0.00 C ATOM 1612 O ALA A 103 7.671 0.297 -10.655 1.00 0.00 O ATOM 1613 CB ALA A 103 4.809 -1.507 -11.210 1.00 0.00 C ATOM 0 H ALA A 103 6.225 -3.248 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 103 6.079 -0.343 -12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.428 -0.636 -10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.116 -1.776 -12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.907 -2.343 -10.517 1.00 0.00 H new ATOM 1619 N LEU A 104 7.398 -1.698 -9.780 1.00 0.00 N ATOM 1620 CA LEU A 104 8.336 -1.390 -8.663 1.00 0.00 C ATOM 1621 C LEU A 104 9.743 -1.164 -9.222 1.00 0.00 C ATOM 1622 O LEU A 104 10.578 -0.544 -8.594 1.00 0.00 O ATOM 1623 CB LEU A 104 8.361 -2.563 -7.681 1.00 0.00 C ATOM 1624 CG LEU A 104 7.871 -2.093 -6.310 1.00 0.00 C ATOM 1625 CD1 LEU A 104 7.847 -3.277 -5.342 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.819 -1.018 -5.773 1.00 0.00 C ATOM 0 H LEU A 104 6.991 -2.633 -9.759 1.00 0.00 H new ATOM 0 HA LEU A 104 8.002 -0.490 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.728 -3.371 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.372 -2.962 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 104 6.866 -1.681 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.498 -2.942 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.175 -4.045 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.852 -3.689 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.472 -0.682 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.823 -1.432 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.839 -0.173 -6.462 1.00 0.00 H new ATOM 1638 N GLU A 105 10.012 -1.662 -10.397 1.00 0.00 N ATOM 1639 CA GLU A 105 11.365 -1.476 -10.993 1.00 0.00 C ATOM 1640 C GLU A 105 11.558 -0.007 -11.382 1.00 0.00 C ATOM 1641 O GLU A 105 12.584 0.586 -11.116 1.00 0.00 O ATOM 1642 CB GLU A 105 11.497 -2.359 -12.239 1.00 0.00 C ATOM 1643 CG GLU A 105 12.726 -1.934 -13.045 1.00 0.00 C ATOM 1644 CD GLU A 105 13.956 -1.925 -12.136 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.945 -2.644 -11.150 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.889 -1.200 -12.440 1.00 0.00 O ATOM 0 H GLU A 105 9.354 -2.190 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 105 12.125 -1.758 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.586 -3.405 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.600 -2.274 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.882 -2.619 -13.878 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.569 -0.943 -13.472 1.00 0.00 H new ATOM 1653 N ASP A 106 10.580 0.584 -12.013 1.00 0.00 N ATOM 1654 CA ASP A 106 10.710 2.011 -12.421 1.00 0.00 C ATOM 1655 C ASP A 106 10.502 2.919 -11.205 1.00 0.00 C ATOM 1656 O ASP A 106 10.591 4.127 -11.299 1.00 0.00 O ATOM 1657 CB ASP A 106 9.658 2.335 -13.484 1.00 0.00 C ATOM 1658 CG ASP A 106 10.308 2.316 -14.869 1.00 0.00 C ATOM 1659 OD1 ASP A 106 10.567 1.231 -15.365 1.00 0.00 O ATOM 1660 OD2 ASP A 106 10.536 3.385 -15.411 1.00 0.00 O ATOM 0 H ASP A 106 9.697 0.140 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 106 11.707 2.179 -12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.847 1.608 -13.441 1.00 0.00 H new ATOM 0 HB3 ASP A 106 9.219 3.314 -13.290 1.00 0.00 H new ATOM 1665 N ALA A 107 10.226 2.349 -10.063 1.00 0.00 N ATOM 1666 CA ALA A 107 10.014 3.184 -8.847 1.00 0.00 C ATOM 1667 C ALA A 107 11.365 3.660 -8.308 1.00 0.00 C ATOM 1668 O ALA A 107 11.480 4.739 -7.761 1.00 0.00 O ATOM 1669 CB ALA A 107 9.304 2.354 -7.776 1.00 0.00 C ATOM 0 H ALA A 107 10.138 1.343 -9.920 1.00 0.00 H new ATOM 0 HA ALA A 107 9.402 4.048 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.149 2.964 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.340 2.016 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.916 1.489 -7.520 1.00 0.00 H new ATOM 1675 N LEU A 108 12.388 2.863 -8.454 1.00 0.00 N ATOM 1676 CA LEU A 108 13.729 3.272 -7.947 1.00 0.00 C ATOM 1677 C LEU A 108 14.420 4.161 -8.981 1.00 0.00 C ATOM 1678 O LEU A 108 14.854 5.256 -8.682 1.00 0.00 O ATOM 1679 CB LEU A 108 14.581 2.026 -7.695 1.00 0.00 C ATOM 1680 CG LEU A 108 14.610 1.719 -6.197 1.00 0.00 C ATOM 1681 CD1 LEU A 108 13.233 1.224 -5.750 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.654 0.636 -5.919 1.00 0.00 C ATOM 0 H LEU A 108 12.354 1.947 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 108 13.610 3.826 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.172 1.177 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.594 2.185 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 108 14.868 2.624 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.254 1.005 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.488 1.994 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.975 0.319 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.675 0.417 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.396 -0.268 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.636 0.987 -6.237 1.00 0.00 H new ATOM 1694 N ASP A 109 14.529 3.700 -10.198 1.00 0.00 N ATOM 1695 CA ASP A 109 15.195 4.520 -11.248 1.00 0.00 C ATOM 1696 C ASP A 109 14.314 4.563 -12.498 1.00 0.00 C ATOM 1697 O ASP A 109 13.356 3.826 -12.620 1.00 0.00 O ATOM 1698 CB ASP A 109 16.548 3.899 -11.598 1.00 0.00 C ATOM 1699 CG ASP A 109 17.655 4.932 -11.387 1.00 0.00 C ATOM 1700 OD1 ASP A 109 17.504 5.762 -10.505 1.00 0.00 O ATOM 1701 OD2 ASP A 109 18.636 4.875 -12.109 1.00 0.00 O ATOM 0 H ASP A 109 14.186 2.791 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 109 15.346 5.533 -10.876 1.00 0.00 H new ATOM 0 HB2 ASP A 109 16.730 3.023 -10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 109 16.547 3.559 -12.633 1.00 0.00 H new ATOM 1706 N VAL A 110 14.631 5.422 -13.428 1.00 0.00 N ATOM 1707 CA VAL A 110 13.813 5.512 -14.669 1.00 0.00 C ATOM 1708 C VAL A 110 14.673 5.135 -15.877 1.00 0.00 C ATOM 1709 O VAL A 110 14.225 4.460 -16.783 1.00 0.00 O ATOM 1710 CB VAL A 110 13.298 6.942 -14.838 1.00 0.00 C ATOM 1711 CG1 VAL A 110 14.477 7.916 -14.829 1.00 0.00 C ATOM 1712 CG2 VAL A 110 12.550 7.060 -16.168 1.00 0.00 C ATOM 0 H VAL A 110 15.421 6.065 -13.381 1.00 0.00 H new ATOM 0 HA VAL A 110 12.968 4.827 -14.596 1.00 0.00 H new ATOM 0 HB VAL A 110 12.623 7.183 -14.017 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.108 8.935 -14.950 1.00 0.00 H new ATOM 0 HG12 VAL A 110 15.010 7.833 -13.882 1.00 0.00 H new ATOM 0 HG13 VAL A 110 15.154 7.676 -15.649 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.182 8.079 -16.290 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.226 6.818 -16.988 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.708 6.367 -16.175 1.00 0.00 H new ATOM 1722 N ILE A 111 15.906 5.565 -15.899 1.00 0.00 N ATOM 1723 CA ILE A 111 16.790 5.229 -17.050 1.00 0.00 C ATOM 1724 C ILE A 111 17.038 3.720 -17.080 1.00 0.00 C ATOM 1725 O ILE A 111 16.068 2.980 -17.114 1.00 0.00 O ATOM 1726 CB ILE A 111 18.123 5.964 -16.900 1.00 0.00 C ATOM 1727 CG1 ILE A 111 18.747 5.619 -15.545 1.00 0.00 C ATOM 1728 CG2 ILE A 111 17.887 7.474 -16.979 1.00 0.00 C ATOM 1729 CD1 ILE A 111 20.101 6.318 -15.414 1.00 0.00 C ATOM 1730 OXT ILE A 111 18.195 3.329 -17.068 1.00 0.00 O ATOM 0 H ILE A 111 16.338 6.133 -15.171 1.00 0.00 H new ATOM 0 HA ILE A 111 16.309 5.535 -17.979 1.00 0.00 H new ATOM 0 HB ILE A 111 18.796 5.658 -17.701 1.00 0.00 H new ATOM 0 HG12 ILE A 111 18.085 5.932 -14.738 1.00 0.00 H new ATOM 0 HG13 ILE A 111 18.873 4.540 -15.455 1.00 0.00 H new ATOM 0 HG21 ILE A 111 18.837 7.997 -16.872 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.442 7.723 -17.943 1.00 0.00 H new ATOM 0 HG23 ILE A 111 17.213 7.779 -16.179 1.00 0.00 H new ATOM 0 HD11 ILE A 111 20.545 6.073 -14.449 1.00 0.00 H new ATOM 0 HD12 ILE A 111 20.762 5.984 -16.214 1.00 0.00 H new ATOM 0 HD13 ILE A 111 19.962 7.397 -15.485 1.00 0.00 H new TER 1742 ILE A 111