USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 622 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 6 TYR OH : rot -30:sc= 1.15 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.226 K(o=-0.23,f=-3.1!) USER MOD Single : A 14 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.059) USER MOD Single : A 15 SER OG : rot -125:sc= -0.436 USER MOD Single : A 19 GLN : amide:sc= -8 K(o=-8,f=-15!) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -6.44! (180deg=-8.75!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00872 X(o=-0.0087,f=0) USER MOD Single : A 35 THR OG1 : rot 55:sc= -0.991! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -2.49 (180deg=-3.52!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.28) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.53) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.713 11.531 4.993 1.00 0.00 N ATOM 19 CA ARG A 2 -4.543 10.704 5.916 1.00 0.00 C ATOM 20 C ARG A 2 -4.062 9.251 5.868 1.00 0.00 C ATOM 21 O ARG A 2 -3.240 8.886 5.047 1.00 0.00 O ATOM 22 CB ARG A 2 -6.018 10.782 5.486 1.00 0.00 C ATOM 23 CG ARG A 2 -6.839 11.555 6.533 1.00 0.00 C ATOM 24 CD ARG A 2 -7.427 12.822 5.906 1.00 0.00 C ATOM 25 NE ARG A 2 -7.377 13.939 6.900 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.129 15.013 6.768 1.00 0.00 C ATOM 27 NH1 ARG A 2 -8.952 15.159 5.755 1.00 0.00 N ATOM 28 NH2 ARG A 2 -8.053 15.959 7.666 1.00 0.00 N ATOM 0 HA ARG A 2 -4.446 11.080 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.096 11.275 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.423 9.777 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.640 10.924 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.207 11.819 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.866 13.092 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.456 12.643 5.595 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.746 13.868 7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.021 14.430 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.522 16.001 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.417 15.861 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.630 16.795 7.576 1.00 0.00 H new ATOM 42 N LEU A 3 -4.571 8.422 6.745 1.00 0.00 N ATOM 43 CA LEU A 3 -4.151 6.991 6.764 1.00 0.00 C ATOM 44 C LEU A 3 -5.218 6.135 6.078 1.00 0.00 C ATOM 45 O LEU A 3 -6.087 5.576 6.724 1.00 0.00 O ATOM 46 CB LEU A 3 -3.982 6.527 8.212 1.00 0.00 C ATOM 47 CG LEU A 3 -3.036 7.478 8.945 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.842 8.612 9.580 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.290 6.710 10.040 1.00 0.00 C ATOM 0 H LEU A 3 -5.262 8.678 7.450 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.204 6.885 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.950 6.503 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.585 5.512 8.236 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.319 7.894 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.167 9.290 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.375 9.159 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.559 8.197 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.615 7.387 10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.008 6.295 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.715 5.901 9.590 1.00 0.00 H new ATOM 61 N PHE A 4 -5.154 6.028 4.775 1.00 0.00 N ATOM 62 CA PHE A 4 -6.155 5.208 4.034 1.00 0.00 C ATOM 63 C PHE A 4 -5.735 3.739 4.083 1.00 0.00 C ATOM 64 O PHE A 4 -4.559 3.425 4.079 1.00 0.00 O ATOM 65 CB PHE A 4 -6.219 5.670 2.577 1.00 0.00 C ATOM 66 CG PHE A 4 -7.044 6.930 2.484 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.438 6.863 2.585 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.415 8.166 2.296 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.203 8.031 2.497 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.182 9.336 2.209 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.575 9.268 2.309 1.00 0.00 C ATOM 0 H PHE A 4 -4.447 6.476 4.192 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.136 5.326 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.213 5.852 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.657 4.889 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.923 5.909 2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.339 8.218 2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.279 7.978 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.697 10.290 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.166 10.169 2.241 1.00 0.00 H new ATOM 81 N GLY A 5 -6.685 2.840 4.130 1.00 0.00 N ATOM 82 CA GLY A 5 -6.341 1.392 4.182 1.00 0.00 C ATOM 83 C GLY A 5 -7.157 0.621 3.145 1.00 0.00 C ATOM 84 O GLY A 5 -8.325 0.888 2.931 1.00 0.00 O ATOM 0 H GLY A 5 -7.683 3.049 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.276 1.256 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.540 0.998 5.179 1.00 0.00 H new ATOM 88 N TYR A 6 -6.545 -0.342 2.509 1.00 0.00 N ATOM 89 CA TYR A 6 -7.259 -1.160 1.487 1.00 0.00 C ATOM 90 C TYR A 6 -7.451 -2.569 2.053 1.00 0.00 C ATOM 91 O TYR A 6 -6.530 -3.147 2.598 1.00 0.00 O ATOM 92 CB TYR A 6 -6.413 -1.216 0.213 1.00 0.00 C ATOM 93 CG TYR A 6 -7.155 -1.966 -0.865 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.116 -1.310 -1.644 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.876 -3.318 -1.090 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.798 -2.009 -2.647 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.557 -4.016 -2.093 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.519 -3.363 -2.872 1.00 0.00 C ATOM 99 OH TYR A 6 -9.191 -4.052 -3.861 1.00 0.00 O ATOM 0 H TYR A 6 -5.569 -0.599 2.656 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.229 -0.723 1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.184 -0.206 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.461 -1.706 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.331 -0.266 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.134 -3.823 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.540 -1.504 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.340 -5.060 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.087 -3.671 -3.974 1.00 0.00 H new ATOM 109 N ALA A 7 -8.637 -3.117 1.951 1.00 0.00 N ATOM 110 CA ALA A 7 -8.872 -4.481 2.514 1.00 0.00 C ATOM 111 C ALA A 7 -9.710 -5.335 1.559 1.00 0.00 C ATOM 112 O ALA A 7 -10.922 -5.274 1.569 1.00 0.00 O ATOM 113 CB ALA A 7 -9.611 -4.350 3.847 1.00 0.00 C ATOM 0 H ALA A 7 -9.446 -2.683 1.506 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.907 -4.968 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.786 -5.341 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.008 -3.765 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.566 -3.850 3.686 1.00 0.00 H new ATOM 119 N ARG A 8 -9.072 -6.159 0.762 1.00 0.00 N ATOM 120 CA ARG A 8 -9.833 -7.050 -0.168 1.00 0.00 C ATOM 121 C ARG A 8 -9.926 -8.441 0.470 1.00 0.00 C ATOM 122 O ARG A 8 -8.939 -9.141 0.592 1.00 0.00 O ATOM 123 CB ARG A 8 -9.104 -7.143 -1.512 1.00 0.00 C ATOM 124 CG ARG A 8 -9.933 -7.989 -2.490 1.00 0.00 C ATOM 125 CD ARG A 8 -9.917 -7.341 -3.876 1.00 0.00 C ATOM 126 NE ARG A 8 -8.504 -7.220 -4.353 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.221 -7.010 -5.623 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.167 -6.898 -6.529 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.974 -6.912 -5.991 1.00 0.00 N ATOM 0 H ARG A 8 -8.057 -6.252 0.716 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.831 -6.648 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.946 -6.145 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.119 -7.590 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.527 -8.999 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.958 -8.077 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.499 -7.941 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.384 -6.357 -3.835 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.742 -7.302 -3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.147 -6.973 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.921 -6.736 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.230 -6.998 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.743 -6.750 -6.971 1.00 0.00 H new ATOM 143 N VAL A 9 -11.098 -8.829 0.907 1.00 0.00 N ATOM 144 CA VAL A 9 -11.257 -10.156 1.574 1.00 0.00 C ATOM 145 C VAL A 9 -10.835 -11.288 0.636 1.00 0.00 C ATOM 146 O VAL A 9 -10.802 -11.134 -0.569 1.00 0.00 O ATOM 147 CB VAL A 9 -12.715 -10.349 1.996 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.099 -9.272 3.009 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.627 -10.245 0.772 1.00 0.00 C ATOM 0 H VAL A 9 -11.955 -8.281 0.830 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.616 -10.181 2.455 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.831 -11.334 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.138 -9.409 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.454 -9.350 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.979 -8.288 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.664 -10.383 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.512 -9.262 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.356 -11.015 0.050 1.00 0.00 H new ATOM 159 N SER A 10 -10.515 -12.428 1.198 1.00 0.00 N ATOM 160 CA SER A 10 -10.094 -13.588 0.364 1.00 0.00 C ATOM 161 C SER A 10 -10.431 -14.902 1.087 1.00 0.00 C ATOM 162 O SER A 10 -9.848 -15.932 0.804 1.00 0.00 O ATOM 163 CB SER A 10 -8.584 -13.508 0.113 1.00 0.00 C ATOM 164 OG SER A 10 -8.339 -13.553 -1.288 1.00 0.00 O ATOM 0 H SER A 10 -10.529 -12.602 2.203 1.00 0.00 H new ATOM 0 HA SER A 10 -10.625 -13.562 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.181 -12.587 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.076 -14.335 0.610 1.00 0.00 H new ATOM 0 HG SER A 10 -7.374 -13.500 -1.453 1.00 0.00 H new ATOM 170 N THR A 11 -11.366 -14.879 2.011 1.00 0.00 N ATOM 171 CA THR A 11 -11.730 -16.134 2.736 1.00 0.00 C ATOM 172 C THR A 11 -13.239 -16.152 3.019 1.00 0.00 C ATOM 173 O THR A 11 -13.865 -15.117 3.154 1.00 0.00 O ATOM 174 CB THR A 11 -10.927 -16.235 4.049 1.00 0.00 C ATOM 175 OG1 THR A 11 -11.101 -17.529 4.609 1.00 0.00 O ATOM 176 CG2 THR A 11 -11.386 -15.176 5.066 1.00 0.00 C ATOM 0 H THR A 11 -11.888 -14.049 2.291 1.00 0.00 H new ATOM 0 HA THR A 11 -11.483 -16.995 2.115 1.00 0.00 H new ATOM 0 HB THR A 11 -9.876 -16.060 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.590 -17.596 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.801 -15.273 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.240 -14.181 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.442 -15.323 5.293 1.00 0.00 H new ATOM 184 N SER A 12 -13.820 -17.321 3.111 1.00 0.00 N ATOM 185 CA SER A 12 -15.285 -17.419 3.387 1.00 0.00 C ATOM 186 C SER A 12 -15.573 -16.889 4.794 1.00 0.00 C ATOM 187 O SER A 12 -16.612 -16.311 5.047 1.00 0.00 O ATOM 188 CB SER A 12 -15.724 -18.879 3.291 1.00 0.00 C ATOM 189 OG SER A 12 -15.926 -19.220 1.926 1.00 0.00 O ATOM 0 H SER A 12 -13.341 -18.215 3.006 1.00 0.00 H new ATOM 0 HA SER A 12 -15.835 -16.827 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.967 -19.528 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.643 -19.032 3.856 1.00 0.00 H new ATOM 0 HG SER A 12 -16.206 -20.157 1.861 1.00 0.00 H new ATOM 195 N GLN A 13 -14.658 -17.088 5.709 1.00 0.00 N ATOM 196 CA GLN A 13 -14.868 -16.602 7.104 1.00 0.00 C ATOM 197 C GLN A 13 -14.956 -15.074 7.108 1.00 0.00 C ATOM 198 O GLN A 13 -14.989 -14.443 6.068 1.00 0.00 O ATOM 199 CB GLN A 13 -13.693 -17.056 7.982 1.00 0.00 C ATOM 200 CG GLN A 13 -14.220 -17.565 9.328 1.00 0.00 C ATOM 201 CD GLN A 13 -14.740 -18.995 9.164 1.00 0.00 C ATOM 202 OE1 GLN A 13 -15.253 -19.351 8.122 1.00 0.00 O ATOM 203 NE2 GLN A 13 -14.627 -19.835 10.157 1.00 0.00 N ATOM 0 H GLN A 13 -13.772 -17.568 5.548 1.00 0.00 H new ATOM 0 HA GLN A 13 -15.797 -17.015 7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.133 -17.844 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.003 -16.227 8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.427 -17.539 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.018 -16.915 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.196 -19.536 11.032 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.970 -20.791 10.058 1.00 0.00 H new ATOM 212 N GLN A 14 -14.996 -14.479 8.273 1.00 0.00 N ATOM 213 CA GLN A 14 -15.087 -12.991 8.360 1.00 0.00 C ATOM 214 C GLN A 14 -13.755 -12.362 7.944 1.00 0.00 C ATOM 215 O GLN A 14 -12.975 -11.929 8.773 1.00 0.00 O ATOM 216 CB GLN A 14 -15.427 -12.583 9.795 1.00 0.00 C ATOM 217 CG GLN A 14 -14.383 -13.152 10.766 1.00 0.00 C ATOM 218 CD GLN A 14 -15.082 -13.720 12.005 1.00 0.00 C ATOM 219 OE1 GLN A 14 -14.727 -13.391 13.121 1.00 0.00 O ATOM 220 NE2 GLN A 14 -16.065 -14.563 11.856 1.00 0.00 N ATOM 0 H GLN A 14 -14.969 -14.962 9.171 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.870 -12.639 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.456 -11.496 9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.419 -12.949 10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.803 -13.933 10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.682 -12.371 11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.363 -14.839 10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.536 -14.947 12.675 1.00 0.00 H new ATOM 229 N SER A 15 -13.492 -12.306 6.665 1.00 0.00 N ATOM 230 CA SER A 15 -12.215 -11.705 6.181 1.00 0.00 C ATOM 231 C SER A 15 -12.274 -10.182 6.341 1.00 0.00 C ATOM 232 O SER A 15 -11.295 -9.552 6.693 1.00 0.00 O ATOM 233 CB SER A 15 -11.995 -12.060 4.704 1.00 0.00 C ATOM 234 OG SER A 15 -13.174 -12.655 4.170 1.00 0.00 O ATOM 0 H SER A 15 -14.110 -12.653 5.931 1.00 0.00 H new ATOM 0 HA SER A 15 -11.387 -12.101 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.741 -11.163 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.154 -12.747 4.607 1.00 0.00 H new ATOM 0 HG SER A 15 -12.953 -13.528 3.783 1.00 0.00 H new ATOM 240 N LEU A 16 -13.415 -9.588 6.083 1.00 0.00 N ATOM 241 CA LEU A 16 -13.539 -8.105 6.219 1.00 0.00 C ATOM 242 C LEU A 16 -13.236 -7.703 7.672 1.00 0.00 C ATOM 243 O LEU A 16 -12.613 -6.688 7.924 1.00 0.00 O ATOM 244 CB LEU A 16 -14.968 -7.675 5.827 1.00 0.00 C ATOM 245 CG LEU A 16 -15.183 -6.170 6.108 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.473 -5.430 4.802 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.370 -5.990 7.061 1.00 0.00 C ATOM 0 H LEU A 16 -14.264 -10.067 5.784 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.828 -7.607 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.138 -7.880 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.696 -8.262 6.387 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.280 -5.763 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.623 -4.371 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.631 -5.550 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.372 -5.841 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.520 -4.929 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.269 -6.405 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.166 -6.508 7.998 1.00 0.00 H new ATOM 259 N ASP A 17 -13.668 -8.495 8.619 1.00 0.00 N ATOM 260 CA ASP A 17 -13.405 -8.168 10.052 1.00 0.00 C ATOM 261 C ASP A 17 -11.904 -8.286 10.330 1.00 0.00 C ATOM 262 O ASP A 17 -11.288 -7.377 10.853 1.00 0.00 O ATOM 263 CB ASP A 17 -14.170 -9.147 10.948 1.00 0.00 C ATOM 264 CG ASP A 17 -14.611 -8.432 12.226 1.00 0.00 C ATOM 265 OD1 ASP A 17 -15.364 -7.480 12.119 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.186 -8.851 13.291 1.00 0.00 O ATOM 0 H ASP A 17 -14.192 -9.356 8.461 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.736 -7.151 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.039 -9.537 10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.538 -10.000 11.196 1.00 0.00 H new ATOM 271 N ILE A 18 -11.315 -9.401 9.976 1.00 0.00 N ATOM 272 CA ILE A 18 -9.852 -9.593 10.209 1.00 0.00 C ATOM 273 C ILE A 18 -9.070 -8.549 9.410 1.00 0.00 C ATOM 274 O ILE A 18 -8.052 -8.050 9.854 1.00 0.00 O ATOM 275 CB ILE A 18 -9.440 -10.995 9.743 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.321 -12.051 10.424 1.00 0.00 C ATOM 277 CG2 ILE A 18 -7.974 -11.245 10.109 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.627 -13.176 9.430 1.00 0.00 C ATOM 0 H ILE A 18 -11.787 -10.189 9.534 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.636 -9.482 11.272 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.565 -11.064 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.814 -12.453 11.301 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.248 -11.597 10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.681 -12.241 9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.345 -10.501 9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.851 -11.171 11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.253 -13.927 9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.152 -12.766 8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.695 -13.636 9.103 1.00 0.00 H new ATOM 290 N GLN A 19 -9.538 -8.223 8.232 1.00 0.00 N ATOM 291 CA GLN A 19 -8.830 -7.215 7.389 1.00 0.00 C ATOM 292 C GLN A 19 -8.806 -5.870 8.107 1.00 0.00 C ATOM 293 O GLN A 19 -7.762 -5.280 8.298 1.00 0.00 O ATOM 294 CB GLN A 19 -9.561 -7.059 6.062 1.00 0.00 C ATOM 295 CG GLN A 19 -9.092 -8.140 5.093 1.00 0.00 C ATOM 296 CD GLN A 19 -9.504 -7.751 3.680 1.00 0.00 C ATOM 297 OE1 GLN A 19 -8.684 -7.720 2.785 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.751 -7.444 3.444 1.00 0.00 N ATOM 0 H GLN A 19 -10.384 -8.614 7.817 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.809 -7.551 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.637 -7.136 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.369 -6.071 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.010 -8.254 5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.529 -9.102 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.435 -7.472 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.041 -7.176 2.504 1.00 0.00 H new ATOM 307 N VAL A 20 -9.954 -5.379 8.514 1.00 0.00 N ATOM 308 CA VAL A 20 -10.015 -4.064 9.229 1.00 0.00 C ATOM 309 C VAL A 20 -9.032 -4.085 10.406 1.00 0.00 C ATOM 310 O VAL A 20 -8.258 -3.169 10.593 1.00 0.00 O ATOM 311 CB VAL A 20 -11.445 -3.841 9.742 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.540 -2.514 10.498 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.412 -3.811 8.557 1.00 0.00 C ATOM 0 H VAL A 20 -10.856 -5.836 8.380 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.744 -3.254 8.552 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.706 -4.656 10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.560 -2.371 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.857 -2.529 11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.271 -1.695 9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.428 -3.653 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.137 -2.999 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.362 -4.759 8.022 1.00 0.00 H new ATOM 323 N ARG A 21 -9.050 -5.136 11.184 1.00 0.00 N ATOM 324 CA ARG A 21 -8.105 -5.239 12.340 1.00 0.00 C ATOM 325 C ARG A 21 -6.671 -5.206 11.801 1.00 0.00 C ATOM 326 O ARG A 21 -5.786 -4.625 12.398 1.00 0.00 O ATOM 327 CB ARG A 21 -8.331 -6.561 13.093 1.00 0.00 C ATOM 328 CG ARG A 21 -9.836 -6.815 13.294 1.00 0.00 C ATOM 329 CD ARG A 21 -10.141 -7.027 14.779 1.00 0.00 C ATOM 330 NE ARG A 21 -10.286 -8.489 15.057 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.851 -8.926 16.164 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.311 -8.100 17.076 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.956 -10.214 16.361 1.00 0.00 N ATOM 0 H ARG A 21 -9.679 -5.930 11.070 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.275 -4.409 13.025 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.888 -7.385 12.534 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.829 -6.526 14.060 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.409 -5.969 12.914 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.144 -7.691 12.723 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.340 -6.608 15.389 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.057 -6.502 15.051 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.940 -9.163 14.374 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.235 -7.092 16.936 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.744 -8.466 17.924 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.603 -10.867 15.662 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.391 -10.566 17.214 1.00 0.00 H new ATOM 347 N ALA A 22 -6.449 -5.816 10.663 1.00 0.00 N ATOM 348 CA ALA A 22 -5.086 -5.818 10.057 1.00 0.00 C ATOM 349 C ALA A 22 -4.757 -4.399 9.587 1.00 0.00 C ATOM 350 O ALA A 22 -3.651 -3.918 9.748 1.00 0.00 O ATOM 351 CB ALA A 22 -5.065 -6.770 8.859 1.00 0.00 C ATOM 0 H ALA A 22 -7.159 -6.315 10.127 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.350 -6.147 10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.070 -6.773 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.318 -7.777 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.792 -6.438 8.118 1.00 0.00 H new ATOM 357 N LEU A 23 -5.722 -3.729 9.014 1.00 0.00 N ATOM 358 CA LEU A 23 -5.505 -2.338 8.529 1.00 0.00 C ATOM 359 C LEU A 23 -5.312 -1.419 9.739 1.00 0.00 C ATOM 360 O LEU A 23 -4.415 -0.597 9.775 1.00 0.00 O ATOM 361 CB LEU A 23 -6.734 -1.891 7.728 1.00 0.00 C ATOM 362 CG LEU A 23 -6.563 -2.254 6.245 1.00 0.00 C ATOM 363 CD1 LEU A 23 -6.381 -3.764 6.082 1.00 0.00 C ATOM 364 CD2 LEU A 23 -7.804 -1.819 5.468 1.00 0.00 C ATOM 0 H LEU A 23 -6.662 -4.093 8.860 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.622 -2.292 7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.629 -2.369 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.873 -0.815 7.833 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.680 -1.743 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.261 -4.004 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.495 -4.085 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.257 -4.281 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.683 -2.076 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.681 -2.329 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.935 -0.741 5.565 1.00 0.00 H new ATOM 376 N LYS A 24 -6.152 -1.563 10.730 1.00 0.00 N ATOM 377 CA LYS A 24 -6.046 -0.717 11.955 1.00 0.00 C ATOM 378 C LYS A 24 -4.705 -0.992 12.638 1.00 0.00 C ATOM 379 O LYS A 24 -4.013 -0.082 13.054 1.00 0.00 O ATOM 380 CB LYS A 24 -7.199 -1.064 12.911 1.00 0.00 C ATOM 381 CG LYS A 24 -8.109 0.159 13.108 1.00 0.00 C ATOM 382 CD LYS A 24 -9.425 -0.021 12.336 1.00 0.00 C ATOM 383 CE LYS A 24 -9.145 -0.204 10.846 1.00 0.00 C ATOM 384 NZ LYS A 24 -8.688 1.085 10.255 1.00 0.00 N ATOM 0 H LYS A 24 -6.916 -2.239 10.743 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.106 0.338 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.777 -1.896 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.800 -1.388 13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.319 0.297 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.599 1.059 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.965 -0.887 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.066 0.848 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.384 -0.971 10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.045 -0.549 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.032 0.894 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.509 1.614 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.203 1.648 10.983 1.00 0.00 H new ATOM 398 N ASP A 25 -4.326 -2.243 12.741 1.00 0.00 N ATOM 399 CA ASP A 25 -3.024 -2.592 13.376 1.00 0.00 C ATOM 400 C ASP A 25 -1.898 -1.899 12.608 1.00 0.00 C ATOM 401 O ASP A 25 -0.895 -1.501 13.166 1.00 0.00 O ATOM 402 CB ASP A 25 -2.826 -4.102 13.300 1.00 0.00 C ATOM 403 CG ASP A 25 -1.914 -4.563 14.437 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.969 -3.851 14.738 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.174 -5.619 14.989 1.00 0.00 O ATOM 0 H ASP A 25 -4.869 -3.040 12.409 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.016 -2.270 14.417 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.789 -4.608 13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.389 -4.373 12.339 1.00 0.00 H new ATOM 410 N ALA A 26 -2.081 -1.758 11.324 1.00 0.00 N ATOM 411 CA ALA A 26 -1.061 -1.094 10.478 1.00 0.00 C ATOM 412 C ALA A 26 -1.064 0.409 10.763 1.00 0.00 C ATOM 413 O ALA A 26 -0.048 1.072 10.659 1.00 0.00 O ATOM 414 CB ALA A 26 -1.420 -1.333 9.014 1.00 0.00 C ATOM 0 H ALA A 26 -2.908 -2.081 10.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.072 -1.498 10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.680 -0.851 8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.432 -2.404 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.405 -0.914 8.808 1.00 0.00 H new ATOM 420 N GLY A 27 -2.204 0.950 11.113 1.00 0.00 N ATOM 421 CA GLY A 27 -2.292 2.412 11.395 1.00 0.00 C ATOM 422 C GLY A 27 -3.281 3.030 10.412 1.00 0.00 C ATOM 423 O GLY A 27 -3.043 4.079 9.845 1.00 0.00 O ATOM 0 H GLY A 27 -3.080 0.438 11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.620 2.582 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.312 2.878 11.292 1.00 0.00 H new ATOM 427 N VAL A 28 -4.385 2.367 10.203 1.00 0.00 N ATOM 428 CA VAL A 28 -5.409 2.870 9.251 1.00 0.00 C ATOM 429 C VAL A 28 -6.633 3.349 10.043 1.00 0.00 C ATOM 430 O VAL A 28 -6.954 2.815 11.087 1.00 0.00 O ATOM 431 CB VAL A 28 -5.790 1.716 8.309 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.926 2.131 7.368 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.568 1.330 7.473 1.00 0.00 C ATOM 0 H VAL A 28 -4.622 1.486 10.659 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.026 3.706 8.666 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.125 0.871 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.177 1.298 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.802 2.408 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.608 2.983 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.830 0.512 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.242 2.189 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.761 1.013 8.133 1.00 0.00 H new ATOM 443 N LYS A 29 -7.314 4.353 9.546 1.00 0.00 N ATOM 444 CA LYS A 29 -8.521 4.869 10.260 1.00 0.00 C ATOM 445 C LYS A 29 -9.742 4.044 9.844 1.00 0.00 C ATOM 446 O LYS A 29 -9.926 3.740 8.681 1.00 0.00 O ATOM 447 CB LYS A 29 -8.734 6.345 9.897 1.00 0.00 C ATOM 448 CG LYS A 29 -8.570 7.215 11.147 1.00 0.00 C ATOM 449 CD LYS A 29 -7.833 8.505 10.784 1.00 0.00 C ATOM 450 CE LYS A 29 -8.234 9.608 11.763 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.236 10.714 11.702 1.00 0.00 N ATOM 0 H LYS A 29 -7.085 4.836 8.677 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.381 4.784 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.017 6.649 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.728 6.485 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.547 7.450 11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.015 6.670 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.756 8.344 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.077 8.802 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.226 9.985 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.288 9.208 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.509 11.465 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.297 10.348 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.206 11.101 10.737 1.00 0.00 H new ATOM 465 N ALA A 30 -10.573 3.675 10.790 1.00 0.00 N ATOM 466 CA ALA A 30 -11.784 2.860 10.457 1.00 0.00 C ATOM 467 C ALA A 30 -12.662 3.625 9.466 1.00 0.00 C ATOM 468 O ALA A 30 -13.244 3.049 8.564 1.00 0.00 O ATOM 469 CB ALA A 30 -12.581 2.581 11.731 1.00 0.00 C ATOM 0 H ALA A 30 -10.465 3.903 11.778 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.470 1.916 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.462 1.988 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.958 2.032 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.892 3.524 12.180 1.00 0.00 H new ATOM 475 N ASN A 31 -12.753 4.921 9.621 1.00 0.00 N ATOM 476 CA ASN A 31 -13.578 5.736 8.689 1.00 0.00 C ATOM 477 C ASN A 31 -12.987 5.644 7.277 1.00 0.00 C ATOM 478 O ASN A 31 -13.682 5.819 6.294 1.00 0.00 O ATOM 479 CB ASN A 31 -13.571 7.195 9.164 1.00 0.00 C ATOM 480 CG ASN A 31 -14.998 7.743 9.173 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.338 8.601 8.384 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.851 7.277 10.042 1.00 0.00 N ATOM 0 H ASN A 31 -12.287 5.450 10.359 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.602 5.364 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.140 7.260 10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.944 7.798 8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.807 7.633 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.563 6.556 10.704 1.00 0.00 H new ATOM 489 N ARG A 32 -11.708 5.372 7.173 1.00 0.00 N ATOM 490 CA ARG A 32 -11.064 5.267 5.828 1.00 0.00 C ATOM 491 C ARG A 32 -10.710 3.801 5.548 1.00 0.00 C ATOM 492 O ARG A 32 -9.563 3.457 5.327 1.00 0.00 O ATOM 493 CB ARG A 32 -9.786 6.127 5.770 1.00 0.00 C ATOM 494 CG ARG A 32 -9.965 7.426 6.572 1.00 0.00 C ATOM 495 CD ARG A 32 -9.108 8.540 5.958 1.00 0.00 C ATOM 496 NE ARG A 32 -9.979 9.710 5.625 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.534 10.444 6.568 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.348 10.186 7.843 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.288 11.454 6.228 1.00 0.00 N ATOM 0 H ARG A 32 -11.082 5.218 7.964 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.762 5.631 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.944 5.562 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.549 6.364 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.014 7.721 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.678 7.265 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.328 8.841 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.609 8.177 5.060 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.147 9.945 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.761 9.400 8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.790 10.771 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.441 11.667 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.724 12.030 6.948 1.00 0.00 H new ATOM 513 N ILE A 33 -11.693 2.937 5.558 1.00 0.00 N ATOM 514 CA ILE A 33 -11.430 1.494 5.293 1.00 0.00 C ATOM 515 C ILE A 33 -12.040 1.116 3.936 1.00 0.00 C ATOM 516 O ILE A 33 -13.156 0.637 3.861 1.00 0.00 O ATOM 517 CB ILE A 33 -12.067 0.649 6.412 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.359 0.949 7.745 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.959 -0.851 6.095 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.904 0.450 7.719 1.00 0.00 C ATOM 0 H ILE A 33 -12.669 3.172 5.739 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.357 1.306 5.271 1.00 0.00 H new ATOM 0 HB ILE A 33 -13.123 0.909 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.376 2.022 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.897 0.470 8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.416 -1.427 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.475 -1.063 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.909 -1.128 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.425 0.674 8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.892 -0.627 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.363 0.949 6.915 1.00 0.00 H new ATOM 532 N PHE A 34 -11.310 1.318 2.870 1.00 0.00 N ATOM 533 CA PHE A 34 -11.836 0.963 1.521 1.00 0.00 C ATOM 534 C PHE A 34 -11.672 -0.541 1.312 1.00 0.00 C ATOM 535 O PHE A 34 -10.758 -0.993 0.647 1.00 0.00 O ATOM 536 CB PHE A 34 -11.063 1.730 0.450 1.00 0.00 C ATOM 537 CG PHE A 34 -11.506 3.171 0.468 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.593 3.580 -0.312 1.00 0.00 C ATOM 539 CD2 PHE A 34 -10.834 4.099 1.275 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.010 4.916 -0.286 1.00 0.00 C ATOM 541 CE2 PHE A 34 -11.250 5.434 1.299 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.338 5.843 0.520 1.00 0.00 C ATOM 0 H PHE A 34 -10.370 1.714 2.877 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.890 1.230 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.991 1.662 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.243 1.292 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.110 2.865 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.995 3.783 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -13.850 5.232 -0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.731 6.150 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.659 6.874 0.540 1.00 0.00 H new ATOM 552 N THR A 35 -12.548 -1.316 1.894 1.00 0.00 N ATOM 553 CA THR A 35 -12.458 -2.796 1.763 1.00 0.00 C ATOM 554 C THR A 35 -13.048 -3.240 0.422 1.00 0.00 C ATOM 555 O THR A 35 -13.487 -2.436 -0.378 1.00 0.00 O ATOM 556 CB THR A 35 -13.242 -3.450 2.906 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.228 -4.861 2.742 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.691 -2.947 2.900 1.00 0.00 C ATOM 0 H THR A 35 -13.329 -0.982 2.459 1.00 0.00 H new ATOM 0 HA THR A 35 -11.412 -3.099 1.809 1.00 0.00 H new ATOM 0 HB THR A 35 -12.777 -3.188 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.302 -5.173 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.242 -3.416 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.701 -1.865 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.161 -3.202 1.950 1.00 0.00 H new ATOM 566 N ASP A 36 -13.057 -4.524 0.184 1.00 0.00 N ATOM 567 CA ASP A 36 -13.612 -5.064 -1.088 1.00 0.00 C ATOM 568 C ASP A 36 -14.182 -6.454 -0.814 1.00 0.00 C ATOM 569 O ASP A 36 -13.446 -7.414 -0.700 1.00 0.00 O ATOM 570 CB ASP A 36 -12.493 -5.168 -2.124 1.00 0.00 C ATOM 571 CG ASP A 36 -12.467 -3.899 -2.977 1.00 0.00 C ATOM 572 OD1 ASP A 36 -13.491 -3.582 -3.561 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.427 -3.265 -3.031 1.00 0.00 O ATOM 0 H ASP A 36 -12.698 -5.230 0.827 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.394 -4.406 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.533 -5.303 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.649 -6.041 -2.757 1.00 0.00 H new ATOM 578 N LYS A 37 -15.483 -6.566 -0.696 1.00 0.00 N ATOM 579 CA LYS A 37 -16.101 -7.896 -0.415 1.00 0.00 C ATOM 580 C LYS A 37 -15.973 -8.794 -1.651 1.00 0.00 C ATOM 581 O LYS A 37 -16.943 -9.091 -2.324 1.00 0.00 O ATOM 582 CB LYS A 37 -17.578 -7.715 -0.050 1.00 0.00 C ATOM 583 CG LYS A 37 -17.703 -6.723 1.112 1.00 0.00 C ATOM 584 CD LYS A 37 -17.205 -7.373 2.412 1.00 0.00 C ATOM 585 CE LYS A 37 -18.356 -8.114 3.096 1.00 0.00 C ATOM 586 NZ LYS A 37 -17.863 -9.422 3.613 1.00 0.00 N ATOM 0 H LYS A 37 -16.142 -5.792 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.584 -8.365 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.134 -7.351 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.014 -8.674 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.123 -5.825 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.741 -6.412 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.393 -8.066 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.803 -6.611 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.755 -7.514 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.171 -8.273 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.643 -9.928 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.502 -9.994 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.099 -9.258 4.299 1.00 0.00 H new ATOM 600 N ALA A 38 -14.774 -9.225 -1.949 1.00 0.00 N ATOM 601 CA ALA A 38 -14.548 -10.103 -3.132 1.00 0.00 C ATOM 602 C ALA A 38 -15.333 -11.408 -2.969 1.00 0.00 C ATOM 603 O ALA A 38 -15.690 -12.049 -3.939 1.00 0.00 O ATOM 604 CB ALA A 38 -13.055 -10.420 -3.239 1.00 0.00 C ATOM 0 H ALA A 38 -13.934 -9.002 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.886 -9.592 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.880 -11.062 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.494 -9.493 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.726 -10.931 -2.334 1.00 0.00 H new ATOM 661 N ASP A 44 -15.109 -7.727 -6.132 1.00 0.00 N ATOM 662 CA ASP A 44 -15.420 -6.299 -5.830 1.00 0.00 C ATOM 663 C ASP A 44 -14.118 -5.499 -5.760 1.00 0.00 C ATOM 664 O ASP A 44 -13.310 -5.693 -4.874 1.00 0.00 O ATOM 665 CB ASP A 44 -16.150 -6.209 -4.484 1.00 0.00 C ATOM 666 CG ASP A 44 -17.658 -6.104 -4.723 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.048 -5.339 -5.589 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.396 -6.790 -4.034 1.00 0.00 O ATOM 0 HA ASP A 44 -16.056 -5.890 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.928 -7.088 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.799 -5.341 -3.926 1.00 0.00 H new ATOM 673 N ARG A 45 -13.913 -4.603 -6.691 1.00 0.00 N ATOM 674 CA ARG A 45 -12.666 -3.784 -6.687 1.00 0.00 C ATOM 675 C ARG A 45 -13.025 -2.306 -6.501 1.00 0.00 C ATOM 676 O ARG A 45 -12.321 -1.427 -6.962 1.00 0.00 O ATOM 677 CB ARG A 45 -11.932 -3.965 -8.018 1.00 0.00 C ATOM 678 CG ARG A 45 -10.960 -5.141 -7.913 1.00 0.00 C ATOM 679 CD ARG A 45 -10.390 -5.455 -9.298 1.00 0.00 C ATOM 680 NE ARG A 45 -9.552 -4.306 -9.763 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.918 -4.341 -10.919 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.991 -5.386 -11.712 1.00 0.00 N ATOM 683 NH2 ARG A 45 -8.201 -3.313 -11.282 1.00 0.00 N ATOM 0 H ARG A 45 -14.558 -4.404 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.023 -4.108 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.649 -4.144 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.390 -3.054 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.153 -4.899 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.472 -6.016 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.790 -6.364 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.200 -5.638 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.469 -3.478 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.548 -6.196 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.491 -5.388 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.136 -2.496 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.705 -3.326 -12.173 1.00 0.00 H new ATOM 697 N LYS A 46 -14.112 -2.030 -5.827 1.00 0.00 N ATOM 698 CA LYS A 46 -14.523 -0.611 -5.603 1.00 0.00 C ATOM 699 C LYS A 46 -13.539 0.079 -4.649 1.00 0.00 C ATOM 700 O LYS A 46 -13.490 1.293 -4.574 1.00 0.00 O ATOM 701 CB LYS A 46 -15.925 -0.576 -4.990 1.00 0.00 C ATOM 702 CG LYS A 46 -16.884 -1.394 -5.856 1.00 0.00 C ATOM 703 CD LYS A 46 -18.328 -1.005 -5.528 1.00 0.00 C ATOM 704 CE LYS A 46 -18.657 -1.417 -4.092 1.00 0.00 C ATOM 705 NZ LYS A 46 -20.073 -1.875 -4.017 1.00 0.00 N ATOM 0 H LYS A 46 -14.735 -2.728 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.523 -0.088 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.900 -0.978 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.275 0.454 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.679 -1.216 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.734 -2.459 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.462 0.070 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.013 -1.491 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.988 -2.215 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.500 -0.576 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.296 -2.155 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.704 -1.101 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.209 -2.689 -4.650 1.00 0.00 H new ATOM 719 N GLY A 47 -12.763 -0.681 -3.912 1.00 0.00 N ATOM 720 CA GLY A 47 -11.792 -0.072 -2.953 1.00 0.00 C ATOM 721 C GLY A 47 -10.819 0.849 -3.693 1.00 0.00 C ATOM 722 O GLY A 47 -10.713 2.019 -3.379 1.00 0.00 O ATOM 0 H GLY A 47 -12.762 -1.701 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.329 0.493 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.239 -0.857 -2.437 1.00 0.00 H new ATOM 726 N LEU A 48 -10.111 0.336 -4.670 1.00 0.00 N ATOM 727 CA LEU A 48 -9.143 1.201 -5.425 1.00 0.00 C ATOM 728 C LEU A 48 -9.921 2.224 -6.250 1.00 0.00 C ATOM 729 O LEU A 48 -9.513 3.364 -6.380 1.00 0.00 O ATOM 730 CB LEU A 48 -8.213 0.388 -6.368 1.00 0.00 C ATOM 731 CG LEU A 48 -8.182 -1.108 -6.031 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.258 -1.835 -6.837 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.808 -1.677 -6.390 1.00 0.00 C ATOM 0 H LEU A 48 -10.159 -0.635 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.507 1.692 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.546 0.516 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.202 0.790 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.371 -1.247 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.236 -2.898 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.237 -1.427 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.069 -1.699 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.781 -2.740 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.624 -1.539 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.039 -1.158 -5.819 1.00 0.00 H new ATOM 745 N ASP A 49 -11.043 1.833 -6.803 1.00 0.00 N ATOM 746 CA ASP A 49 -11.859 2.788 -7.617 1.00 0.00 C ATOM 747 C ASP A 49 -12.224 4.006 -6.763 1.00 0.00 C ATOM 748 O ASP A 49 -12.398 5.099 -7.267 1.00 0.00 O ATOM 749 CB ASP A 49 -13.139 2.093 -8.086 1.00 0.00 C ATOM 750 CG ASP A 49 -12.911 1.478 -9.467 1.00 0.00 C ATOM 751 OD1 ASP A 49 -13.042 2.199 -10.443 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.608 0.298 -9.525 1.00 0.00 O ATOM 0 H ASP A 49 -11.430 0.892 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.282 3.112 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.426 1.319 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.960 2.809 -8.126 1.00 0.00 H new ATOM 757 N LEU A 50 -12.329 3.821 -5.470 1.00 0.00 N ATOM 758 CA LEU A 50 -12.670 4.959 -4.570 1.00 0.00 C ATOM 759 C LEU A 50 -11.383 5.504 -3.942 1.00 0.00 C ATOM 760 O LEU A 50 -11.279 6.679 -3.648 1.00 0.00 O ATOM 761 CB LEU A 50 -13.614 4.475 -3.466 1.00 0.00 C ATOM 762 CG LEU A 50 -14.842 3.808 -4.094 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.420 2.780 -3.119 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.900 4.872 -4.396 1.00 0.00 C ATOM 0 H LEU A 50 -12.192 2.926 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.161 5.746 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.097 3.769 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.923 5.315 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.551 3.309 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.294 2.306 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.667 2.022 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.711 3.279 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.774 4.399 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.190 5.370 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.490 5.606 -5.090 1.00 0.00 H new ATOM 776 N LEU A 51 -10.402 4.658 -3.745 1.00 0.00 N ATOM 777 CA LEU A 51 -9.113 5.117 -3.147 1.00 0.00 C ATOM 778 C LEU A 51 -8.409 6.049 -4.133 1.00 0.00 C ATOM 779 O LEU A 51 -7.805 7.032 -3.749 1.00 0.00 O ATOM 780 CB LEU A 51 -8.218 3.900 -2.871 1.00 0.00 C ATOM 781 CG LEU A 51 -7.413 4.122 -1.589 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.333 3.989 -0.375 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.300 3.076 -1.500 1.00 0.00 C ATOM 0 H LEU A 51 -10.440 3.665 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.307 5.645 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.830 3.003 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.542 3.737 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.976 5.121 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.757 4.148 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.127 4.733 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.772 2.991 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.725 3.233 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.739 2.078 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.642 3.171 -2.364 1.00 0.00 H new ATOM 795 N ARG A 52 -8.487 5.744 -5.403 1.00 0.00 N ATOM 796 CA ARG A 52 -7.826 6.601 -6.430 1.00 0.00 C ATOM 797 C ARG A 52 -8.451 7.998 -6.416 1.00 0.00 C ATOM 798 O ARG A 52 -7.803 8.975 -6.740 1.00 0.00 O ATOM 799 CB ARG A 52 -8.014 5.971 -7.814 1.00 0.00 C ATOM 800 CG ARG A 52 -7.195 4.679 -7.907 1.00 0.00 C ATOM 801 CD ARG A 52 -7.857 3.720 -8.901 1.00 0.00 C ATOM 802 NE ARG A 52 -8.083 4.424 -10.202 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.741 3.850 -11.189 1.00 0.00 C ATOM 804 NH1 ARG A 52 -9.228 2.636 -11.077 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.912 4.504 -12.305 1.00 0.00 N ATOM 0 H ARG A 52 -8.983 4.933 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.762 6.680 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.069 5.758 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.698 6.670 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.177 4.904 -8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.125 4.210 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.225 2.845 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.805 3.362 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.720 5.369 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.101 2.113 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.733 2.215 -11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.538 5.448 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.419 4.072 -13.077 1.00 0.00 H new ATOM 819 N MET A 53 -9.701 8.097 -6.043 1.00 0.00 N ATOM 820 CA MET A 53 -10.371 9.430 -6.007 1.00 0.00 C ATOM 821 C MET A 53 -10.499 9.934 -4.556 1.00 0.00 C ATOM 822 O MET A 53 -10.782 11.096 -4.325 1.00 0.00 O ATOM 823 CB MET A 53 -11.758 9.320 -6.678 1.00 0.00 C ATOM 824 CG MET A 53 -12.751 8.557 -5.785 1.00 0.00 C ATOM 825 SD MET A 53 -14.399 8.618 -6.532 1.00 0.00 S ATOM 826 CE MET A 53 -14.272 7.087 -7.490 1.00 0.00 C ATOM 0 H MET A 53 -10.287 7.311 -5.762 1.00 0.00 H new ATOM 0 HA MET A 53 -9.767 10.153 -6.555 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.144 10.318 -6.885 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.661 8.810 -7.637 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.431 7.522 -5.668 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.775 8.998 -4.789 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.034 7.081 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.285 7.025 -7.948 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.420 6.232 -6.831 1.00 0.00 H new ATOM 836 N LYS A 54 -10.304 9.074 -3.583 1.00 0.00 N ATOM 837 CA LYS A 54 -10.426 9.510 -2.160 1.00 0.00 C ATOM 838 C LYS A 54 -9.051 9.895 -1.608 1.00 0.00 C ATOM 839 O LYS A 54 -8.940 10.747 -0.746 1.00 0.00 O ATOM 840 CB LYS A 54 -11.015 8.370 -1.329 1.00 0.00 C ATOM 841 CG LYS A 54 -12.532 8.330 -1.532 1.00 0.00 C ATOM 842 CD LYS A 54 -13.210 9.241 -0.506 1.00 0.00 C ATOM 843 CE LYS A 54 -14.697 9.367 -0.841 1.00 0.00 C ATOM 844 NZ LYS A 54 -15.367 10.213 0.186 1.00 0.00 N ATOM 0 H LYS A 54 -10.066 8.091 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.083 10.378 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.571 7.420 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.781 8.514 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.783 8.653 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.897 7.309 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.085 8.833 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.740 10.225 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.822 9.809 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.159 8.380 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.378 10.299 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.259 9.773 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.932 11.158 0.195 1.00 0.00 H new ATOM 858 N VAL A 55 -8.004 9.278 -2.097 1.00 0.00 N ATOM 859 CA VAL A 55 -6.632 9.612 -1.599 1.00 0.00 C ATOM 860 C VAL A 55 -6.326 11.083 -1.886 1.00 0.00 C ATOM 861 O VAL A 55 -6.594 11.583 -2.964 1.00 0.00 O ATOM 862 CB VAL A 55 -5.596 8.727 -2.300 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.796 7.273 -1.872 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.753 8.845 -3.820 1.00 0.00 C ATOM 0 H VAL A 55 -8.039 8.558 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.588 9.435 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.594 9.054 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.060 6.642 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.673 7.191 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.799 6.947 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.014 8.213 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.754 8.524 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.603 9.882 -4.122 1.00 0.00 H new ATOM 874 N GLU A 56 -5.767 11.777 -0.929 1.00 0.00 N ATOM 875 CA GLU A 56 -5.437 13.218 -1.130 1.00 0.00 C ATOM 876 C GLU A 56 -3.962 13.357 -1.513 1.00 0.00 C ATOM 877 O GLU A 56 -3.211 12.398 -1.480 1.00 0.00 O ATOM 878 CB GLU A 56 -5.705 13.986 0.168 1.00 0.00 C ATOM 879 CG GLU A 56 -6.285 15.366 -0.159 1.00 0.00 C ATOM 880 CD GLU A 56 -7.811 15.316 -0.068 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.421 14.771 -0.974 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.344 15.823 0.906 1.00 0.00 O ATOM 0 H GLU A 56 -5.524 11.404 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.057 13.626 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.400 13.428 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.781 14.094 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.893 16.110 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.980 15.672 -1.160 1.00 0.00 H new ATOM 889 N GLU A 57 -3.543 14.543 -1.872 1.00 0.00 N ATOM 890 CA GLU A 57 -2.118 14.756 -2.257 1.00 0.00 C ATOM 891 C GLU A 57 -1.224 14.568 -1.030 1.00 0.00 C ATOM 892 O GLU A 57 -1.240 15.365 -0.111 1.00 0.00 O ATOM 893 CB GLU A 57 -1.941 16.173 -2.805 1.00 0.00 C ATOM 894 CG GLU A 57 -2.284 16.192 -4.295 1.00 0.00 C ATOM 895 CD GLU A 57 -2.902 17.545 -4.659 1.00 0.00 C ATOM 896 OE1 GLU A 57 -3.992 17.823 -4.186 1.00 0.00 O ATOM 897 OE2 GLU A 57 -2.274 18.279 -5.404 1.00 0.00 O ATOM 0 H GLU A 57 -4.130 15.376 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.839 14.034 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.585 16.866 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.915 16.507 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.386 16.019 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.981 15.387 -4.529 1.00 0.00 H new ATOM 904 N GLY A 58 -0.446 13.516 -1.011 1.00 0.00 N ATOM 905 CA GLY A 58 0.455 13.263 0.149 1.00 0.00 C ATOM 906 C GLY A 58 -0.207 12.283 1.125 1.00 0.00 C ATOM 907 O GLY A 58 0.146 12.229 2.288 1.00 0.00 O ATOM 0 H GLY A 58 -0.397 12.819 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.404 12.856 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.678 14.201 0.658 1.00 0.00 H new ATOM 911 N ASP A 59 -1.158 11.505 0.663 1.00 0.00 N ATOM 912 CA ASP A 59 -1.833 10.528 1.569 1.00 0.00 C ATOM 913 C ASP A 59 -1.031 9.225 1.587 1.00 0.00 C ATOM 914 O ASP A 59 -0.082 9.063 0.842 1.00 0.00 O ATOM 915 CB ASP A 59 -3.256 10.257 1.059 1.00 0.00 C ATOM 916 CG ASP A 59 -4.273 10.888 2.013 1.00 0.00 C ATOM 917 OD1 ASP A 59 -4.654 10.225 2.965 1.00 0.00 O ATOM 918 OD2 ASP A 59 -4.652 12.024 1.776 1.00 0.00 O ATOM 0 H ASP A 59 -1.493 11.506 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.887 10.935 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.378 10.668 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.429 9.183 0.986 1.00 0.00 H new ATOM 923 N VAL A 60 -1.397 8.300 2.439 1.00 0.00 N ATOM 924 CA VAL A 60 -0.648 7.006 2.511 1.00 0.00 C ATOM 925 C VAL A 60 -1.622 5.834 2.380 1.00 0.00 C ATOM 926 O VAL A 60 -2.589 5.732 3.112 1.00 0.00 O ATOM 927 CB VAL A 60 0.103 6.888 3.849 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.440 7.625 3.751 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.728 7.483 4.995 1.00 0.00 C ATOM 0 H VAL A 60 -2.180 8.384 3.087 1.00 0.00 H new ATOM 0 HA VAL A 60 0.073 6.982 1.694 1.00 0.00 H new ATOM 0 HB VAL A 60 0.276 5.832 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.972 7.541 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.042 7.183 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.260 8.677 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.177 7.388 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.924 8.536 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.674 6.947 5.075 1.00 0.00 H new ATOM 939 N ILE A 61 -1.362 4.942 1.458 1.00 0.00 N ATOM 940 CA ILE A 61 -2.253 3.759 1.273 1.00 0.00 C ATOM 941 C ILE A 61 -1.644 2.572 2.036 1.00 0.00 C ATOM 942 O ILE A 61 -0.686 1.965 1.597 1.00 0.00 O ATOM 943 CB ILE A 61 -2.373 3.449 -0.236 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.265 4.509 -0.899 1.00 0.00 C ATOM 945 CG2 ILE A 61 -2.995 2.059 -0.465 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.397 5.573 -1.573 1.00 0.00 C ATOM 0 H ILE A 61 -0.566 4.984 0.822 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.252 3.956 1.662 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.374 3.462 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.917 4.039 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.910 4.973 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.068 1.865 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.367 1.298 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.990 2.028 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.037 6.321 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.764 6.052 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.771 5.104 -2.333 1.00 0.00 H new ATOM 958 N LEU A 62 -2.198 2.246 3.177 1.00 0.00 N ATOM 959 CA LEU A 62 -1.662 1.108 3.980 1.00 0.00 C ATOM 960 C LEU A 62 -2.212 -0.211 3.429 1.00 0.00 C ATOM 961 O LEU A 62 -3.409 -0.385 3.293 1.00 0.00 O ATOM 962 CB LEU A 62 -2.093 1.278 5.446 1.00 0.00 C ATOM 963 CG LEU A 62 -0.869 1.569 6.319 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.328 1.988 7.716 1.00 0.00 C ATOM 965 CD2 LEU A 62 -0.007 0.310 6.421 1.00 0.00 C ATOM 0 H LEU A 62 -3.002 2.722 3.587 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.574 1.095 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.813 2.092 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.592 0.374 5.794 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.286 2.374 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.457 2.195 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.944 2.885 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.911 1.183 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.865 0.515 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.590 -0.495 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.319 0.011 5.425 1.00 0.00 H new ATOM 977 N VAL A 63 -1.343 -1.141 3.119 1.00 0.00 N ATOM 978 CA VAL A 63 -1.802 -2.456 2.582 1.00 0.00 C ATOM 979 C VAL A 63 -1.631 -3.523 3.668 1.00 0.00 C ATOM 980 O VAL A 63 -0.791 -3.401 4.542 1.00 0.00 O ATOM 981 CB VAL A 63 -0.970 -2.821 1.350 1.00 0.00 C ATOM 982 CG1 VAL A 63 -1.479 -4.131 0.746 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.089 -1.703 0.310 1.00 0.00 C ATOM 0 H VAL A 63 -0.332 -1.044 3.216 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.852 -2.397 2.294 1.00 0.00 H new ATOM 0 HB VAL A 63 0.072 -2.943 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.882 -4.384 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.396 -4.929 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.522 -4.015 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.498 -1.959 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.134 -1.583 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.721 -0.770 0.735 1.00 0.00 H new ATOM 1207 N ILE A 77 0.776 -3.185 -8.952 1.00 0.00 N ATOM 1208 CA ILE A 77 1.668 -2.074 -9.395 1.00 0.00 C ATOM 1209 C ILE A 77 0.842 -0.995 -10.107 1.00 0.00 C ATOM 1210 O ILE A 77 1.239 0.152 -10.166 1.00 0.00 O ATOM 1211 CB ILE A 77 2.734 -2.634 -10.340 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.515 -3.733 -9.615 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.698 -1.518 -10.757 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.897 -5.095 -9.934 1.00 0.00 C ATOM 0 HA ILE A 77 2.154 -1.625 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 77 2.253 -3.042 -11.229 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.560 -3.715 -9.924 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.497 -3.557 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.454 -1.923 -11.429 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.144 -0.730 -11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.183 -1.106 -9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.454 -5.877 -9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.859 -5.110 -9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.938 -5.270 -11.009 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.304 -1.348 -10.641 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.153 -0.338 -11.345 1.00 0.00 C ATOM 1228 C GLN A 78 -1.524 0.786 -10.375 1.00 0.00 C ATOM 1229 O GLN A 78 -1.068 1.906 -10.512 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.426 -1.015 -11.861 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.738 -0.522 -13.277 1.00 0.00 C ATOM 1232 CD GLN A 78 -2.035 -1.419 -14.297 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -2.185 -2.624 -14.268 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -1.269 -0.877 -15.204 1.00 0.00 N ATOM 0 H GLN A 78 -0.687 -2.293 -10.619 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.599 0.081 -12.185 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.298 -2.097 -11.863 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.261 -0.794 -11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.814 -0.533 -13.448 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.407 0.510 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.144 0.135 -15.227 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.796 -1.465 -15.890 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.348 0.496 -9.395 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.747 1.558 -8.417 1.00 0.00 C ATOM 1245 C LEU A 79 -1.507 2.135 -7.711 1.00 0.00 C ATOM 1246 O LEU A 79 -1.569 3.204 -7.132 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.797 1.025 -7.401 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.228 0.037 -6.351 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.390 -1.059 -7.006 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.391 0.778 -5.299 1.00 0.00 C ATOM 0 H LEU A 79 -2.759 -0.423 -9.231 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.223 2.370 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.243 1.872 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.598 0.531 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.079 -0.434 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.008 -1.732 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.008 -1.620 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.555 -0.607 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.003 0.063 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.560 1.287 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.015 1.511 -4.788 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.377 1.462 -7.773 1.00 0.00 N ATOM 1263 CA ILE A 80 0.853 2.004 -7.128 1.00 0.00 C ATOM 1264 C ILE A 80 1.406 3.100 -8.045 1.00 0.00 C ATOM 1265 O ILE A 80 1.765 4.172 -7.595 1.00 0.00 O ATOM 1266 CB ILE A 80 1.869 0.856 -6.928 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.432 0.024 -5.719 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.286 1.398 -6.673 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.328 -1.209 -5.586 1.00 0.00 C ATOM 0 H ILE A 80 -0.260 0.564 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 80 0.643 2.429 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 80 1.893 0.251 -7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.489 0.626 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.392 -0.282 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.975 0.565 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.605 1.997 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.283 2.017 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.012 -1.797 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.248 -1.816 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.363 -0.894 -5.451 1.00 0.00 H new ATOM 1281 N LYS A 81 1.456 2.840 -9.325 1.00 0.00 N ATOM 1282 CA LYS A 81 1.963 3.867 -10.282 1.00 0.00 C ATOM 1283 C LYS A 81 0.999 5.053 -10.275 1.00 0.00 C ATOM 1284 O LYS A 81 1.396 6.191 -10.440 1.00 0.00 O ATOM 1285 CB LYS A 81 2.031 3.272 -11.693 1.00 0.00 C ATOM 1286 CG LYS A 81 2.735 1.905 -11.657 1.00 0.00 C ATOM 1287 CD LYS A 81 3.970 1.925 -12.564 1.00 0.00 C ATOM 1288 CE LYS A 81 3.656 1.197 -13.874 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.823 1.306 -14.795 1.00 0.00 N ATOM 0 H LYS A 81 1.167 1.959 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 81 2.961 4.191 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.025 3.161 -12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.569 3.949 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.029 1.665 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.047 1.124 -11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.266 2.954 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.810 1.446 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.432 0.149 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.770 1.629 -14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.610 0.812 -15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.016 2.308 -14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.658 0.874 -14.350 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.267 4.786 -10.071 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.275 5.881 -10.035 1.00 0.00 C ATOM 1305 C GLU A 82 -1.011 6.757 -8.807 1.00 0.00 C ATOM 1306 O GLU A 82 -0.952 7.969 -8.901 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.679 5.272 -9.949 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.625 6.013 -10.897 1.00 0.00 C ATOM 1309 CD GLU A 82 -5.047 5.476 -10.725 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -5.193 4.271 -10.603 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -5.965 6.279 -10.717 1.00 0.00 O ATOM 0 H GLU A 82 -0.644 3.849 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.203 6.488 -10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.643 4.214 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.051 5.336 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.601 7.083 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.298 5.882 -11.929 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.843 6.147 -7.660 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.575 6.933 -6.422 1.00 0.00 C ATOM 1320 C PHE A 83 0.860 7.466 -6.459 1.00 0.00 C ATOM 1321 O PHE A 83 1.162 8.493 -5.880 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.764 6.032 -5.188 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.144 5.372 -5.170 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.187 5.810 -6.013 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.377 4.304 -4.291 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.438 5.185 -5.968 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.631 3.682 -4.249 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.660 4.122 -5.087 1.00 0.00 C ATOM 0 H PHE A 83 -0.880 5.136 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.270 7.770 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.007 5.262 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.633 6.624 -4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.019 6.630 -6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.585 3.959 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.234 5.524 -6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.803 2.861 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.626 3.641 -5.054 1.00 0.00 H new ATOM 1338 N ASP A 84 1.745 6.778 -7.140 1.00 0.00 N ATOM 1339 CA ASP A 84 3.162 7.244 -7.224 1.00 0.00 C ATOM 1340 C ASP A 84 3.209 8.594 -7.939 1.00 0.00 C ATOM 1341 O ASP A 84 3.885 9.512 -7.510 1.00 0.00 O ATOM 1342 CB ASP A 84 3.991 6.226 -8.013 1.00 0.00 C ATOM 1343 CG ASP A 84 5.479 6.465 -7.750 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.965 5.989 -6.737 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.107 7.119 -8.565 1.00 0.00 O ATOM 0 H ASP A 84 1.545 5.913 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 84 3.570 7.345 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.717 5.213 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.780 6.317 -9.079 1.00 0.00 H new ATOM 1350 N ALA A 85 2.495 8.718 -9.027 1.00 0.00 N ATOM 1351 CA ALA A 85 2.488 10.003 -9.788 1.00 0.00 C ATOM 1352 C ALA A 85 1.496 10.991 -9.160 1.00 0.00 C ATOM 1353 O ALA A 85 1.543 12.175 -9.437 1.00 0.00 O ATOM 1354 CB ALA A 85 2.079 9.727 -11.237 1.00 0.00 C ATOM 0 H ALA A 85 1.913 7.980 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 85 3.487 10.439 -9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.072 10.662 -11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.790 9.037 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.083 9.285 -11.256 1.00 0.00 H new ATOM 1360 N GLN A 86 0.597 10.524 -8.325 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.393 11.443 -7.694 1.00 0.00 C ATOM 1362 C GLN A 86 0.208 12.108 -6.442 1.00 0.00 C ATOM 1363 O GLN A 86 -0.486 12.802 -5.719 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.640 10.637 -7.301 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.795 10.972 -8.246 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.743 9.778 -8.341 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.916 9.205 -9.400 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.372 9.372 -7.270 1.00 0.00 N ATOM 0 H GLN A 86 0.509 9.544 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.660 12.224 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.422 9.570 -7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.922 10.865 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.333 11.848 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.409 11.222 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.228 9.852 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.007 8.576 -7.323 1.00 0.00 H new ATOM 1377 N GLY A 87 1.479 11.908 -6.173 1.00 0.00 N ATOM 1378 CA GLY A 87 2.099 12.533 -4.967 1.00 0.00 C ATOM 1379 C GLY A 87 1.580 11.828 -3.712 1.00 0.00 C ATOM 1380 O GLY A 87 1.460 12.426 -2.659 1.00 0.00 O ATOM 0 H GLY A 87 2.110 11.339 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.185 12.455 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.857 13.595 -4.928 1.00 0.00 H new ATOM 1384 N VAL A 88 1.272 10.563 -3.823 1.00 0.00 N ATOM 1385 CA VAL A 88 0.756 9.805 -2.646 1.00 0.00 C ATOM 1386 C VAL A 88 1.706 8.647 -2.336 1.00 0.00 C ATOM 1387 O VAL A 88 2.344 8.103 -3.217 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.638 9.260 -2.966 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.216 8.562 -1.733 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.553 10.418 -3.367 1.00 0.00 C ATOM 0 H VAL A 88 1.356 10.020 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 88 0.695 10.464 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.567 8.545 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.208 8.176 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.565 7.738 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.287 9.275 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.547 10.034 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.620 11.131 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.145 10.916 -4.247 1.00 0.00 H new ATOM 1400 N SER A 89 1.804 8.271 -1.085 1.00 0.00 N ATOM 1401 CA SER A 89 2.714 7.152 -0.706 1.00 0.00 C ATOM 1402 C SER A 89 1.891 5.899 -0.401 1.00 0.00 C ATOM 1403 O SER A 89 0.692 5.966 -0.203 1.00 0.00 O ATOM 1404 CB SER A 89 3.516 7.547 0.534 1.00 0.00 C ATOM 1405 OG SER A 89 4.630 8.336 0.140 1.00 0.00 O ATOM 0 H SER A 89 1.291 8.693 -0.310 1.00 0.00 H new ATOM 0 HA SER A 89 3.395 6.945 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.886 8.106 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.855 6.655 1.061 1.00 0.00 H new ATOM 0 HG SER A 89 5.146 8.593 0.933 1.00 0.00 H new ATOM 1411 N ILE A 90 2.531 4.758 -0.360 1.00 0.00 N ATOM 1412 CA ILE A 90 1.800 3.492 -0.063 1.00 0.00 C ATOM 1413 C ILE A 90 2.592 2.682 0.962 1.00 0.00 C ATOM 1414 O ILE A 90 3.726 2.304 0.725 1.00 0.00 O ATOM 1415 CB ILE A 90 1.638 2.680 -1.348 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.967 3.553 -2.413 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.766 1.452 -1.064 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.851 2.777 -3.726 1.00 0.00 C ATOM 0 H ILE A 90 3.533 4.650 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 90 0.814 3.724 0.340 1.00 0.00 H new ATOM 0 HB ILE A 90 2.615 2.355 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.022 3.860 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.547 4.463 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.648 0.870 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.242 0.836 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.213 1.775 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.373 3.404 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.846 2.492 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.252 1.880 -3.567 1.00 0.00 H new ATOM 1430 N ARG A 91 2.006 2.419 2.099 1.00 0.00 N ATOM 1431 CA ARG A 91 2.716 1.640 3.153 1.00 0.00 C ATOM 1432 C ARG A 91 2.378 0.155 3.015 1.00 0.00 C ATOM 1433 O ARG A 91 1.232 -0.218 2.848 1.00 0.00 O ATOM 1434 CB ARG A 91 2.274 2.137 4.531 1.00 0.00 C ATOM 1435 CG ARG A 91 2.491 3.648 4.622 1.00 0.00 C ATOM 1436 CD ARG A 91 1.811 4.187 5.882 1.00 0.00 C ATOM 1437 NE ARG A 91 2.516 5.426 6.336 1.00 0.00 N ATOM 1438 CZ ARG A 91 2.036 6.172 7.312 1.00 0.00 C ATOM 1439 NH1 ARG A 91 0.919 5.862 7.929 1.00 0.00 N ATOM 1440 NH2 ARG A 91 2.687 7.244 7.673 1.00 0.00 N ATOM 0 H ARG A 91 1.060 2.712 2.344 1.00 0.00 H new ATOM 0 HA ARG A 91 3.792 1.775 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.223 1.899 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.841 1.630 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.557 3.872 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.083 4.138 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.763 4.406 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.832 3.434 6.670 1.00 0.00 H new ATOM 0 HE ARG A 91 3.387 5.700 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.401 5.027 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.570 6.456 8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.556 7.496 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.327 7.830 8.426 1.00 0.00 H new ATOM 1454 N PHE A 92 3.371 -0.694 3.086 1.00 0.00 N ATOM 1455 CA PHE A 92 3.125 -2.161 2.966 1.00 0.00 C ATOM 1456 C PHE A 92 3.382 -2.825 4.321 1.00 0.00 C ATOM 1457 O PHE A 92 4.465 -2.734 4.865 1.00 0.00 O ATOM 1458 CB PHE A 92 4.074 -2.754 1.921 1.00 0.00 C ATOM 1459 CG PHE A 92 3.467 -2.605 0.546 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.315 -1.333 -0.019 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.056 -3.740 -0.165 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.752 -1.194 -1.294 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.493 -3.602 -1.440 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.341 -2.329 -2.004 1.00 0.00 C ATOM 0 H PHE A 92 4.347 -0.432 3.223 1.00 0.00 H new ATOM 0 HA PHE A 92 2.094 -2.336 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.038 -2.247 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.258 -3.807 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.632 -0.458 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.173 -4.721 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.635 -0.212 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.176 -4.477 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.907 -2.223 -2.987 1.00 0.00 H new ATOM 1474 N ILE A 93 2.395 -3.488 4.871 1.00 0.00 N ATOM 1475 CA ILE A 93 2.580 -4.156 6.197 1.00 0.00 C ATOM 1476 C ILE A 93 3.733 -5.169 6.119 1.00 0.00 C ATOM 1477 O ILE A 93 4.383 -5.456 7.107 1.00 0.00 O ATOM 1478 CB ILE A 93 1.274 -4.863 6.596 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.435 -5.497 7.981 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.928 -5.948 5.573 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.543 -4.397 9.038 1.00 0.00 C ATOM 0 H ILE A 93 1.468 -3.596 4.459 1.00 0.00 H new ATOM 0 HA ILE A 93 2.828 -3.408 6.950 1.00 0.00 H new ATOM 0 HB ILE A 93 0.468 -4.130 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.584 -6.142 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.325 -6.126 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.001 -6.442 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.802 -5.494 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.733 -6.681 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.658 -4.849 10.023 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.409 -3.770 8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.640 -3.787 9.022 1.00 0.00 H new