USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= 0 X(o=-0.19,f=-0.43) USER MOD Set 1.2: A 56 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.109) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= -0.227 USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= -0.0147 USER MOD Set 3.2: A 45 GLN : amide:sc= -1.05 K(o=-1.1,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.608 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0342 (180deg=-0.36) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 22 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.0024) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -120:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.362) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0173 (180deg=-0.176) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 91:sc= -0.299 USER MOD Single : A 68 ASN : amide:sc= -0.0955 K(o=-0.096,f=-0.63) USER MOD Single : A 69 GLN : amide:sc=-0.00725 K(o=-0.0072,f=-0.64) USER MOD Single : A 70 LYS NZ :NH3+ 123:sc= -0.0628 (180deg=-0.48) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.693 4.435 -12.290 1.00 0.00 N ATOM 2 CA GLY A 1 -29.623 4.770 -11.369 1.00 0.00 C ATOM 3 C GLY A 1 -29.390 6.264 -11.270 1.00 0.00 C ATOM 4 O GLY A 1 -28.739 6.856 -12.130 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.813 3.402 -12.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.578 4.877 -11.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.456 4.786 -13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.862 4.376 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.703 4.283 -11.693 1.00 0.00 H new ATOM 8 N SER A 2 -29.924 6.877 -10.218 1.00 0.00 N ATOM 9 CA SER A 2 -29.775 8.313 -10.013 1.00 0.00 C ATOM 10 C SER A 2 -28.557 8.614 -9.145 1.00 0.00 C ATOM 11 O SER A 2 -28.611 9.460 -8.252 1.00 0.00 O ATOM 12 CB SER A 2 -31.034 8.890 -9.362 1.00 0.00 C ATOM 13 OG SER A 2 -31.075 8.592 -7.978 1.00 0.00 O ATOM 0 H SER A 2 -30.464 6.401 -9.495 1.00 0.00 H new ATOM 0 HA SER A 2 -29.631 8.781 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.059 9.970 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.919 8.483 -9.851 1.00 0.00 H new ATOM 0 HG SER A 2 -30.291 8.981 -7.536 1.00 0.00 H new ATOM 19 N SER A 3 -27.459 7.915 -9.414 1.00 0.00 N ATOM 20 CA SER A 3 -26.228 8.104 -8.656 1.00 0.00 C ATOM 21 C SER A 3 -25.053 8.383 -9.589 1.00 0.00 C ATOM 22 O SER A 3 -24.384 9.409 -9.473 1.00 0.00 O ATOM 23 CB SER A 3 -25.934 6.868 -7.803 1.00 0.00 C ATOM 24 OG SER A 3 -26.829 6.780 -6.708 1.00 0.00 O ATOM 0 H SER A 3 -27.397 7.213 -10.151 1.00 0.00 H new ATOM 0 HA SER A 3 -26.362 8.965 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.016 5.971 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.908 6.911 -7.436 1.00 0.00 H new ATOM 0 HG SER A 3 -26.622 5.981 -6.179 1.00 0.00 H new ATOM 30 N GLY A 4 -24.808 7.460 -10.514 1.00 0.00 N ATOM 31 CA GLY A 4 -23.714 7.624 -11.454 1.00 0.00 C ATOM 32 C GLY A 4 -22.363 7.343 -10.825 1.00 0.00 C ATOM 33 O GLY A 4 -21.739 8.238 -10.256 1.00 0.00 O ATOM 0 H GLY A 4 -25.347 6.602 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.863 6.955 -12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.725 8.641 -11.846 1.00 0.00 H new ATOM 37 N SER A 5 -21.912 6.097 -10.928 1.00 0.00 N ATOM 38 CA SER A 5 -20.629 5.700 -10.360 1.00 0.00 C ATOM 39 C SER A 5 -19.621 5.388 -11.461 1.00 0.00 C ATOM 40 O SER A 5 -19.800 4.447 -12.234 1.00 0.00 O ATOM 41 CB SER A 5 -20.804 4.481 -9.453 1.00 0.00 C ATOM 42 OG SER A 5 -19.700 4.333 -8.578 1.00 0.00 O ATOM 0 H SER A 5 -22.416 5.345 -11.399 1.00 0.00 H new ATOM 0 HA SER A 5 -20.249 6.533 -9.768 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.721 4.585 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.912 3.583 -10.062 1.00 0.00 H new ATOM 0 HG SER A 5 -19.837 3.548 -8.008 1.00 0.00 H new ATOM 48 N SER A 6 -18.559 6.186 -11.527 1.00 0.00 N ATOM 49 CA SER A 6 -17.523 5.998 -12.536 1.00 0.00 C ATOM 50 C SER A 6 -16.986 4.570 -12.504 1.00 0.00 C ATOM 51 O SER A 6 -16.739 3.965 -13.546 1.00 0.00 O ATOM 52 CB SER A 6 -16.380 6.990 -12.313 1.00 0.00 C ATOM 53 OG SER A 6 -15.933 6.960 -10.969 1.00 0.00 O ATOM 0 H SER A 6 -18.394 6.968 -10.894 1.00 0.00 H new ATOM 0 HA SER A 6 -17.966 6.179 -13.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.552 6.751 -12.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.713 7.996 -12.566 1.00 0.00 H new ATOM 0 HG SER A 6 -15.201 7.602 -10.853 1.00 0.00 H new ATOM 59 N GLY A 7 -16.808 4.038 -11.298 1.00 0.00 N ATOM 60 CA GLY A 7 -16.301 2.686 -11.152 1.00 0.00 C ATOM 61 C GLY A 7 -15.376 2.540 -9.960 1.00 0.00 C ATOM 62 O GLY A 7 -14.948 3.533 -9.372 1.00 0.00 O ATOM 0 H GLY A 7 -17.006 4.519 -10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.139 1.997 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.768 2.401 -12.059 1.00 0.00 H new ATOM 66 N TYR A 8 -15.069 1.298 -9.602 1.00 0.00 N ATOM 67 CA TYR A 8 -14.192 1.025 -8.469 1.00 0.00 C ATOM 68 C TYR A 8 -12.742 1.355 -8.811 1.00 0.00 C ATOM 69 O TYR A 8 -12.377 1.463 -9.982 1.00 0.00 O ATOM 70 CB TYR A 8 -14.307 -0.442 -8.050 1.00 0.00 C ATOM 71 CG TYR A 8 -14.087 -1.415 -9.186 1.00 0.00 C ATOM 72 CD1 TYR A 8 -12.809 -1.682 -9.660 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.158 -2.067 -9.786 1.00 0.00 C ATOM 74 CE1 TYR A 8 -12.603 -2.570 -10.698 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.961 -2.957 -10.823 1.00 0.00 C ATOM 76 CZ TYR A 8 -13.682 -3.206 -11.276 1.00 0.00 C ATOM 77 OH TYR A 8 -13.482 -4.091 -12.310 1.00 0.00 O ATOM 0 H TYR A 8 -15.414 0.465 -10.079 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.505 1.659 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.580 -0.645 -7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.295 -0.613 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.962 -1.187 -9.209 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -16.161 -1.874 -9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.603 -2.765 -11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.804 -3.456 -11.277 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.345 -4.452 -12.603 1.00 0.00 H new ATOM 87 N SER A 9 -11.919 1.515 -7.779 1.00 0.00 N ATOM 88 CA SER A 9 -10.509 1.836 -7.968 1.00 0.00 C ATOM 89 C SER A 9 -9.622 0.691 -7.489 1.00 0.00 C ATOM 90 O SER A 9 -9.928 0.026 -6.499 1.00 0.00 O ATOM 91 CB SER A 9 -10.152 3.120 -7.218 1.00 0.00 C ATOM 92 OG SER A 9 -10.358 4.261 -8.033 1.00 0.00 O ATOM 0 H SER A 9 -12.204 1.428 -6.804 1.00 0.00 H new ATOM 0 HA SER A 9 -10.336 1.986 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.759 3.199 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.111 3.081 -6.899 1.00 0.00 H new ATOM 0 HG SER A 9 -10.124 5.069 -7.530 1.00 0.00 H new ATOM 98 N VAL A 10 -8.522 0.466 -8.200 1.00 0.00 N ATOM 99 CA VAL A 10 -7.588 -0.598 -7.848 1.00 0.00 C ATOM 100 C VAL A 10 -6.489 -0.082 -6.926 1.00 0.00 C ATOM 101 O VAL A 10 -5.303 -0.300 -7.173 1.00 0.00 O ATOM 102 CB VAL A 10 -6.943 -1.216 -9.103 1.00 0.00 C ATOM 103 CG1 VAL A 10 -6.069 -2.402 -8.725 1.00 0.00 C ATOM 104 CG2 VAL A 10 -8.012 -1.628 -10.103 1.00 0.00 C ATOM 0 H VAL A 10 -8.255 1.006 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.163 -1.365 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.309 -0.464 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.622 -2.826 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.281 -2.072 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.677 -3.160 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.539 -2.063 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.673 -2.364 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.591 -0.753 -10.397 1.00 0.00 H new ATOM 114 N LYS A 11 -6.891 0.604 -5.861 1.00 0.00 N ATOM 115 CA LYS A 11 -5.941 1.150 -4.900 1.00 0.00 C ATOM 116 C LYS A 11 -5.344 0.044 -4.036 1.00 0.00 C ATOM 117 O LYS A 11 -5.966 -0.998 -3.829 1.00 0.00 O ATOM 118 CB LYS A 11 -6.626 2.192 -4.012 1.00 0.00 C ATOM 119 CG LYS A 11 -5.701 2.814 -2.980 1.00 0.00 C ATOM 120 CD LYS A 11 -4.737 3.801 -3.618 1.00 0.00 C ATOM 121 CE LYS A 11 -5.420 5.123 -3.933 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.816 5.851 -2.696 1.00 0.00 N ATOM 0 H LYS A 11 -7.869 0.795 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.134 1.628 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.036 2.981 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.466 1.724 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.293 3.322 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.138 2.029 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.896 3.976 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.330 3.373 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.749 5.747 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.303 4.939 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.975 6.854 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.691 5.438 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.059 5.770 -1.988 1.00 0.00 H new ATOM 136 N TRP A 12 -4.138 0.279 -3.533 1.00 0.00 N ATOM 137 CA TRP A 12 -3.458 -0.698 -2.689 1.00 0.00 C ATOM 138 C TRP A 12 -3.280 -0.163 -1.273 1.00 0.00 C ATOM 139 O TRP A 12 -3.068 1.033 -1.071 1.00 0.00 O ATOM 140 CB TRP A 12 -2.097 -1.059 -3.287 1.00 0.00 C ATOM 141 CG TRP A 12 -2.178 -2.097 -4.364 1.00 0.00 C ATOM 142 CD1 TRP A 12 -2.791 -1.973 -5.579 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.630 -3.419 -4.324 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.656 -3.137 -6.295 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.947 -4.040 -5.548 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.899 -4.138 -3.374 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.560 -5.344 -5.843 1.00 0.00 C ATOM 148 CZ3 TRP A 12 -0.516 -5.432 -3.668 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.846 -6.025 -4.894 1.00 0.00 C ATOM 0 H TRP A 12 -3.610 1.137 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.076 -1.595 -2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.637 -0.159 -3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.443 -1.420 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.306 -1.089 -5.925 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.024 -3.302 -7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.638 -3.690 -2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.814 -5.802 -6.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.048 -5.997 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.531 -7.039 -5.094 1.00 0.00 H new ATOM 160 N THR A 13 -3.366 -1.057 -0.292 1.00 0.00 N ATOM 161 CA THR A 13 -3.215 -0.674 1.106 1.00 0.00 C ATOM 162 C THR A 13 -1.782 -0.887 1.583 1.00 0.00 C ATOM 163 O THR A 13 -1.110 -1.826 1.156 1.00 0.00 O ATOM 164 CB THR A 13 -4.170 -1.473 2.013 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.041 -2.874 1.747 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.611 -1.040 1.796 1.00 0.00 C ATOM 0 H THR A 13 -3.539 -2.051 -0.441 1.00 0.00 H new ATOM 0 HA THR A 13 -3.463 0.385 1.172 1.00 0.00 H new ATOM 0 HB THR A 13 -3.901 -1.275 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.650 -3.375 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.267 -1.618 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.711 0.020 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.890 -1.211 0.756 1.00 0.00 H new ATOM 174 N ILE A 14 -1.322 -0.011 2.469 1.00 0.00 N ATOM 175 CA ILE A 14 0.030 -0.105 3.004 1.00 0.00 C ATOM 176 C ILE A 14 0.375 -1.543 3.377 1.00 0.00 C ATOM 177 O ILE A 14 1.372 -2.093 2.911 1.00 0.00 O ATOM 178 CB ILE A 14 0.209 0.791 4.244 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.083 2.251 3.891 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.616 0.647 4.804 1.00 0.00 C ATOM 181 CD1 ILE A 14 0.995 2.896 3.049 1.00 0.00 C ATOM 0 H ILE A 14 -1.866 0.772 2.832 1.00 0.00 H new ATOM 0 HA ILE A 14 0.704 0.236 2.218 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.499 0.473 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.031 2.304 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.204 2.822 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.726 1.287 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.790 -0.391 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.341 0.942 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.721 3.930 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.941 2.875 3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.101 2.349 2.112 1.00 0.00 H new ATOM 193 N GLU A 15 -0.458 -2.147 4.219 1.00 0.00 N ATOM 194 CA GLU A 15 -0.242 -3.522 4.653 1.00 0.00 C ATOM 195 C GLU A 15 0.180 -4.403 3.480 1.00 0.00 C ATOM 196 O GLU A 15 1.228 -5.046 3.521 1.00 0.00 O ATOM 197 CB GLU A 15 -1.511 -4.084 5.296 1.00 0.00 C ATOM 198 CG GLU A 15 -1.371 -5.522 5.766 1.00 0.00 C ATOM 199 CD GLU A 15 -0.089 -5.759 6.541 1.00 0.00 C ATOM 200 OE1 GLU A 15 1.000 -5.597 5.952 1.00 0.00 O ATOM 201 OE2 GLU A 15 -0.176 -6.108 7.737 1.00 0.00 O ATOM 0 H GLU A 15 -1.288 -1.706 4.614 1.00 0.00 H new ATOM 0 HA GLU A 15 0.560 -3.520 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.785 -3.458 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.329 -4.023 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.224 -5.780 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.398 -6.187 4.903 1.00 0.00 H new ATOM 208 N GLU A 16 -0.645 -4.425 2.438 1.00 0.00 N ATOM 209 CA GLU A 16 -0.358 -5.227 1.255 1.00 0.00 C ATOM 210 C GLU A 16 1.019 -4.891 0.690 1.00 0.00 C ATOM 211 O GLU A 16 1.894 -5.753 0.599 1.00 0.00 O ATOM 212 CB GLU A 16 -1.429 -5.001 0.186 1.00 0.00 C ATOM 213 CG GLU A 16 -2.836 -5.333 0.654 1.00 0.00 C ATOM 214 CD GLU A 16 -3.153 -6.811 0.546 1.00 0.00 C ATOM 215 OE1 GLU A 16 -2.883 -7.549 1.516 1.00 0.00 O ATOM 216 OE2 GLU A 16 -3.672 -7.230 -0.510 1.00 0.00 O ATOM 0 H GLU A 16 -1.516 -3.897 2.389 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.364 -6.276 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.398 -3.959 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.193 -5.609 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.955 -5.014 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.555 -4.767 0.062 1.00 0.00 H new ATOM 223 N LYS A 17 1.205 -3.631 0.312 1.00 0.00 N ATOM 224 CA LYS A 17 2.475 -3.178 -0.244 1.00 0.00 C ATOM 225 C LYS A 17 3.649 -3.802 0.503 1.00 0.00 C ATOM 226 O LYS A 17 4.616 -4.255 -0.110 1.00 0.00 O ATOM 227 CB LYS A 17 2.568 -1.652 -0.178 1.00 0.00 C ATOM 228 CG LYS A 17 1.834 -0.949 -1.306 1.00 0.00 C ATOM 229 CD LYS A 17 1.890 0.562 -1.153 1.00 0.00 C ATOM 230 CE LYS A 17 0.892 1.254 -2.068 1.00 0.00 C ATOM 231 NZ LYS A 17 1.227 1.053 -3.506 1.00 0.00 N ATOM 0 H LYS A 17 0.492 -2.905 0.381 1.00 0.00 H new ATOM 0 HA LYS A 17 2.521 -3.494 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.163 -1.313 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.618 -1.359 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.274 -1.235 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.794 -1.275 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.683 0.831 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.897 0.914 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.109 0.870 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.873 2.321 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.888 1.866 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.258 0.967 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.769 0.185 -3.851 1.00 0.00 H new ATOM 245 N GLU A 18 3.558 -3.823 1.829 1.00 0.00 N ATOM 246 CA GLU A 18 4.613 -4.393 2.658 1.00 0.00 C ATOM 247 C GLU A 18 4.848 -5.860 2.308 1.00 0.00 C ATOM 248 O GLU A 18 5.982 -6.280 2.073 1.00 0.00 O ATOM 249 CB GLU A 18 4.255 -4.262 4.140 1.00 0.00 C ATOM 250 CG GLU A 18 4.156 -2.823 4.617 1.00 0.00 C ATOM 251 CD GLU A 18 3.811 -2.719 6.090 1.00 0.00 C ATOM 252 OE1 GLU A 18 2.611 -2.789 6.426 1.00 0.00 O ATOM 253 OE2 GLU A 18 4.744 -2.568 6.907 1.00 0.00 O ATOM 0 H GLU A 18 2.765 -3.452 2.352 1.00 0.00 H new ATOM 0 HA GLU A 18 5.531 -3.839 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.304 -4.762 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.007 -4.782 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.104 -2.317 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.398 -2.302 4.032 1.00 0.00 H new ATOM 260 N LEU A 19 3.769 -6.634 2.277 1.00 0.00 N ATOM 261 CA LEU A 19 3.856 -8.055 1.956 1.00 0.00 C ATOM 262 C LEU A 19 4.471 -8.265 0.577 1.00 0.00 C ATOM 263 O LEU A 19 5.333 -9.126 0.394 1.00 0.00 O ATOM 264 CB LEU A 19 2.468 -8.696 2.011 1.00 0.00 C ATOM 265 CG LEU A 19 1.872 -8.887 3.407 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.384 -9.187 3.314 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.597 -9.999 4.149 1.00 0.00 C ATOM 0 H LEU A 19 2.824 -6.302 2.470 1.00 0.00 H new ATOM 0 HA LEU A 19 4.499 -8.531 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.783 -8.082 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.520 -9.669 1.523 1.00 0.00 H new ATOM 0 HG LEU A 19 2.001 -7.961 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.024 -9.320 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.124 -8.357 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.232 -10.099 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.160 -10.121 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.500 -10.931 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.652 -9.743 4.247 1.00 0.00 H new ATOM 279 N PHE A 20 4.025 -7.472 -0.392 1.00 0.00 N ATOM 280 CA PHE A 20 4.533 -7.570 -1.755 1.00 0.00 C ATOM 281 C PHE A 20 6.056 -7.490 -1.775 1.00 0.00 C ATOM 282 O PHE A 20 6.728 -8.384 -2.289 1.00 0.00 O ATOM 283 CB PHE A 20 3.940 -6.459 -2.624 1.00 0.00 C ATOM 284 CG PHE A 20 4.678 -6.250 -3.915 1.00 0.00 C ATOM 285 CD1 PHE A 20 4.409 -7.043 -5.019 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.641 -5.259 -4.026 1.00 0.00 C ATOM 287 CE1 PHE A 20 5.087 -6.854 -6.208 1.00 0.00 C ATOM 288 CE2 PHE A 20 6.322 -5.065 -5.213 1.00 0.00 C ATOM 289 CZ PHE A 20 6.044 -5.862 -6.306 1.00 0.00 C ATOM 0 H PHE A 20 3.313 -6.754 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 20 4.233 -8.537 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.899 -6.697 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.941 -5.527 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.660 -7.818 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.862 -4.631 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.869 -7.481 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.071 -4.290 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.573 -5.710 -7.235 1.00 0.00 H new ATOM 299 N GLU A 21 6.593 -6.411 -1.213 1.00 0.00 N ATOM 300 CA GLU A 21 8.037 -6.213 -1.168 1.00 0.00 C ATOM 301 C GLU A 21 8.733 -7.419 -0.544 1.00 0.00 C ATOM 302 O GLU A 21 9.619 -8.020 -1.151 1.00 0.00 O ATOM 303 CB GLU A 21 8.376 -4.949 -0.376 1.00 0.00 C ATOM 304 CG GLU A 21 8.438 -3.693 -1.230 1.00 0.00 C ATOM 305 CD GLU A 21 9.169 -2.556 -0.543 1.00 0.00 C ATOM 306 OE1 GLU A 21 8.798 -2.217 0.600 1.00 0.00 O ATOM 307 OE2 GLU A 21 10.112 -2.005 -1.149 1.00 0.00 O ATOM 0 H GLU A 21 6.050 -5.662 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 21 8.394 -6.099 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.630 -4.810 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.336 -5.088 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.935 -3.923 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.425 -3.374 -1.474 1.00 0.00 H new ATOM 314 N GLN A 22 8.324 -7.767 0.672 1.00 0.00 N ATOM 315 CA GLN A 22 8.909 -8.901 1.378 1.00 0.00 C ATOM 316 C GLN A 22 9.262 -10.023 0.408 1.00 0.00 C ATOM 317 O GLN A 22 10.415 -10.446 0.326 1.00 0.00 O ATOM 318 CB GLN A 22 7.942 -9.418 2.445 1.00 0.00 C ATOM 319 CG GLN A 22 8.635 -10.052 3.639 1.00 0.00 C ATOM 320 CD GLN A 22 7.803 -11.141 4.287 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.472 -11.064 5.471 1.00 0.00 O ATOM 322 NE2 GLN A 22 7.460 -12.164 3.513 1.00 0.00 N ATOM 0 H GLN A 22 7.591 -7.281 1.188 1.00 0.00 H new ATOM 0 HA GLN A 22 9.825 -8.562 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.322 -8.592 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.273 -10.150 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.589 -10.471 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.856 -9.281 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.756 -12.187 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.900 -12.927 3.894 1.00 0.00 H new ATOM 331 N GLY A 23 8.262 -10.503 -0.325 1.00 0.00 N ATOM 332 CA GLY A 23 8.488 -11.573 -1.279 1.00 0.00 C ATOM 333 C GLY A 23 9.300 -11.120 -2.476 1.00 0.00 C ATOM 334 O GLY A 23 10.234 -11.804 -2.897 1.00 0.00 O ATOM 0 H GLY A 23 7.299 -10.170 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.005 -12.395 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.528 -11.960 -1.620 1.00 0.00 H new ATOM 338 N LEU A 24 8.944 -9.965 -3.028 1.00 0.00 N ATOM 339 CA LEU A 24 9.645 -9.422 -4.186 1.00 0.00 C ATOM 340 C LEU A 24 11.156 -9.508 -3.997 1.00 0.00 C ATOM 341 O LEU A 24 11.915 -9.490 -4.965 1.00 0.00 O ATOM 342 CB LEU A 24 9.231 -7.968 -4.422 1.00 0.00 C ATOM 343 CG LEU A 24 9.597 -7.379 -5.784 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.562 -7.767 -6.829 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.725 -5.865 -5.694 1.00 0.00 C ATOM 0 H LEU A 24 8.174 -9.387 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 24 9.372 -10.017 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.151 -7.893 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.687 -7.351 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 24 10.561 -7.788 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.839 -7.339 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.520 -8.853 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.584 -7.388 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.986 -5.463 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.776 -5.438 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.504 -5.608 -4.977 1.00 0.00 H new ATOM 357 N ALA A 25 11.586 -9.604 -2.743 1.00 0.00 N ATOM 358 CA ALA A 25 13.006 -9.697 -2.427 1.00 0.00 C ATOM 359 C ALA A 25 13.452 -11.152 -2.329 1.00 0.00 C ATOM 360 O ALA A 25 14.555 -11.504 -2.747 1.00 0.00 O ATOM 361 CB ALA A 25 13.307 -8.962 -1.129 1.00 0.00 C ATOM 0 H ALA A 25 10.971 -9.619 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 25 13.565 -9.227 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.371 -9.040 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.034 -7.912 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.732 -9.407 -0.317 1.00 0.00 H new ATOM 367 N LYS A 26 12.588 -11.995 -1.773 1.00 0.00 N ATOM 368 CA LYS A 26 12.892 -13.413 -1.620 1.00 0.00 C ATOM 369 C LYS A 26 12.665 -14.162 -2.930 1.00 0.00 C ATOM 370 O LYS A 26 13.576 -14.803 -3.455 1.00 0.00 O ATOM 371 CB LYS A 26 12.028 -14.024 -0.515 1.00 0.00 C ATOM 372 CG LYS A 26 12.029 -13.219 0.773 1.00 0.00 C ATOM 373 CD LYS A 26 10.959 -13.705 1.736 1.00 0.00 C ATOM 374 CE LYS A 26 11.483 -14.811 2.639 1.00 0.00 C ATOM 375 NZ LYS A 26 10.734 -14.879 3.925 1.00 0.00 N ATOM 0 H LYS A 26 11.671 -11.720 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 26 13.943 -13.507 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.003 -14.116 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.383 -15.033 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.007 -13.292 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.863 -12.166 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.610 -12.871 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.100 -14.070 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.406 -15.768 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.540 -14.643 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.121 -15.645 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.828 -13.975 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.729 -15.065 3.732 1.00 0.00 H new ATOM 389 N PHE A 27 11.446 -14.076 -3.452 1.00 0.00 N ATOM 390 CA PHE A 27 11.101 -14.746 -4.700 1.00 0.00 C ATOM 391 C PHE A 27 11.612 -13.955 -5.901 1.00 0.00 C ATOM 392 O PHE A 27 11.818 -14.508 -6.981 1.00 0.00 O ATOM 393 CB PHE A 27 9.585 -14.928 -4.803 1.00 0.00 C ATOM 394 CG PHE A 27 8.932 -15.273 -3.495 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.158 -16.502 -2.896 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.094 -14.368 -2.864 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.558 -16.822 -1.693 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.492 -14.682 -1.660 1.00 0.00 C ATOM 399 CZ PHE A 27 7.725 -15.910 -1.074 1.00 0.00 C ATOM 0 H PHE A 27 10.681 -13.549 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 27 11.579 -15.726 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.142 -14.010 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.370 -15.715 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.810 -17.218 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.909 -13.406 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.740 -17.784 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.840 -13.968 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.257 -16.158 -0.133 1.00 0.00 H new ATOM 409 N GLY A 28 11.814 -12.656 -5.704 1.00 0.00 N ATOM 410 CA GLY A 28 12.298 -11.809 -6.779 1.00 0.00 C ATOM 411 C GLY A 28 11.177 -11.081 -7.494 1.00 0.00 C ATOM 412 O GLY A 28 10.520 -10.217 -6.913 1.00 0.00 O ATOM 0 H GLY A 28 11.651 -12.175 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.000 -11.080 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.848 -12.417 -7.497 1.00 0.00 H new ATOM 416 N ARG A 29 10.959 -11.429 -8.758 1.00 0.00 N ATOM 417 CA ARG A 29 9.911 -10.800 -9.553 1.00 0.00 C ATOM 418 C ARG A 29 8.775 -11.781 -9.829 1.00 0.00 C ATOM 419 O ARG A 29 7.934 -11.544 -10.696 1.00 0.00 O ATOM 420 CB ARG A 29 10.485 -10.283 -10.874 1.00 0.00 C ATOM 421 CG ARG A 29 11.147 -8.920 -10.758 1.00 0.00 C ATOM 422 CD ARG A 29 11.239 -8.229 -12.110 1.00 0.00 C ATOM 423 NE ARG A 29 11.983 -6.975 -12.033 1.00 0.00 N ATOM 424 CZ ARG A 29 12.087 -6.120 -13.045 1.00 0.00 C ATOM 425 NH1 ARG A 29 11.498 -6.382 -14.203 1.00 0.00 N ATOM 426 NH2 ARG A 29 12.782 -4.998 -12.898 1.00 0.00 N ATOM 0 H ARG A 29 11.494 -12.143 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 29 9.512 -9.960 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.214 -11.001 -11.249 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.684 -10.227 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.580 -8.296 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.146 -9.034 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.723 -8.894 -12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.235 -8.033 -12.486 1.00 0.00 H new ATOM 0 HE ARG A 29 12.448 -6.743 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.963 -7.242 -14.320 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.580 -5.723 -14.977 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.236 -4.792 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.862 -4.342 -13.675 1.00 0.00 H new ATOM 440 N ARG A 30 8.758 -12.882 -9.086 1.00 0.00 N ATOM 441 CA ARG A 30 7.727 -13.900 -9.251 1.00 0.00 C ATOM 442 C ARG A 30 6.384 -13.404 -8.723 1.00 0.00 C ATOM 443 O ARG A 30 6.208 -13.225 -7.518 1.00 0.00 O ATOM 444 CB ARG A 30 8.128 -15.186 -8.527 1.00 0.00 C ATOM 445 CG ARG A 30 9.270 -15.932 -9.199 1.00 0.00 C ATOM 446 CD ARG A 30 9.102 -15.964 -10.710 1.00 0.00 C ATOM 447 NE ARG A 30 9.682 -14.786 -11.350 1.00 0.00 N ATOM 448 CZ ARG A 30 9.856 -14.674 -12.662 1.00 0.00 C ATOM 449 NH1 ARG A 30 9.498 -15.663 -13.469 1.00 0.00 N ATOM 450 NH2 ARG A 30 10.391 -13.570 -13.169 1.00 0.00 N ATOM 0 H ARG A 30 9.447 -13.092 -8.363 1.00 0.00 H new ATOM 0 HA ARG A 30 7.625 -14.108 -10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.416 -14.943 -7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.261 -15.844 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.217 -15.454 -8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.316 -16.951 -8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.574 -16.862 -11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.042 -16.025 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 30 9.969 -14.007 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.088 -16.513 -13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.633 -15.574 -14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.669 -12.807 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.525 -13.484 -14.177 1.00 0.00 H new ATOM 464 N TRP A 31 5.441 -13.184 -9.632 1.00 0.00 N ATOM 465 CA TRP A 31 4.114 -12.708 -9.257 1.00 0.00 C ATOM 466 C TRP A 31 3.266 -13.845 -8.698 1.00 0.00 C ATOM 467 O TRP A 31 2.528 -13.664 -7.729 1.00 0.00 O ATOM 468 CB TRP A 31 3.416 -12.079 -10.464 1.00 0.00 C ATOM 469 CG TRP A 31 4.316 -11.205 -11.283 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.446 -11.206 -12.642 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.214 -10.202 -10.793 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.370 -10.265 -13.028 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.855 -9.635 -11.912 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.537 -9.727 -9.519 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.799 -8.619 -11.793 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.474 -8.719 -9.403 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.096 -8.173 -10.533 1.00 0.00 C ATOM 0 H TRP A 31 5.570 -13.327 -10.634 1.00 0.00 H new ATOM 0 HA TRP A 31 4.232 -11.952 -8.480 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.017 -12.871 -11.097 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.567 -11.490 -10.117 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.902 -11.852 -13.315 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.649 -10.068 -13.989 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.063 -10.141 -8.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.280 -8.198 -12.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.732 -8.345 -8.423 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.824 -7.385 -10.408 1.00 0.00 H new ATOM 488 N THR A 32 3.376 -15.018 -9.314 1.00 0.00 N ATOM 489 CA THR A 32 2.618 -16.184 -8.878 1.00 0.00 C ATOM 490 C THR A 32 2.938 -16.537 -7.430 1.00 0.00 C ATOM 491 O THR A 32 2.105 -17.101 -6.719 1.00 0.00 O ATOM 492 CB THR A 32 2.908 -17.407 -9.768 1.00 0.00 C ATOM 493 OG1 THR A 32 4.314 -17.676 -9.790 1.00 0.00 O ATOM 494 CG2 THR A 32 2.410 -17.174 -11.187 1.00 0.00 C ATOM 0 H THR A 32 3.983 -15.185 -10.117 1.00 0.00 H new ATOM 0 HA THR A 32 1.563 -15.925 -8.962 1.00 0.00 H new ATOM 0 HB THR A 32 2.381 -18.265 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.489 -18.456 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.626 -18.051 -11.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.334 -16.999 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.913 -16.305 -11.611 1.00 0.00 H new ATOM 502 N LYS A 33 4.148 -16.201 -6.997 1.00 0.00 N ATOM 503 CA LYS A 33 4.577 -16.480 -5.632 1.00 0.00 C ATOM 504 C LYS A 33 4.058 -15.417 -4.669 1.00 0.00 C ATOM 505 O LYS A 33 3.352 -15.728 -3.709 1.00 0.00 O ATOM 506 CB LYS A 33 6.105 -16.546 -5.559 1.00 0.00 C ATOM 507 CG LYS A 33 6.702 -17.702 -6.343 1.00 0.00 C ATOM 508 CD LYS A 33 8.198 -17.821 -6.108 1.00 0.00 C ATOM 509 CE LYS A 33 8.678 -19.253 -6.286 1.00 0.00 C ATOM 510 NZ LYS A 33 10.132 -19.315 -6.603 1.00 0.00 N ATOM 0 H LYS A 33 4.850 -15.735 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 33 4.162 -17.444 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.519 -15.611 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.407 -16.631 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.212 -18.631 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.510 -17.559 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.729 -17.169 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.438 -17.478 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.480 -19.818 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.111 -19.729 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.420 -20.308 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.317 -18.797 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.675 -18.883 -5.828 1.00 0.00 H new ATOM 524 N ILE A 34 4.409 -14.163 -4.933 1.00 0.00 N ATOM 525 CA ILE A 34 3.975 -13.055 -4.092 1.00 0.00 C ATOM 526 C ILE A 34 2.463 -13.069 -3.901 1.00 0.00 C ATOM 527 O ILE A 34 1.969 -13.049 -2.774 1.00 0.00 O ATOM 528 CB ILE A 34 4.394 -11.698 -4.688 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.915 -11.629 -4.837 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.889 -10.558 -3.815 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.376 -10.629 -5.873 1.00 0.00 C ATOM 0 H ILE A 34 4.993 -13.889 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 34 4.462 -13.183 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 34 3.947 -11.598 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.355 -11.371 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.291 -12.617 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.193 -9.605 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.801 -10.599 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.311 -10.652 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.465 -10.634 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.965 -10.898 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.031 -9.633 -5.596 1.00 0.00 H new ATOM 543 N SER A 35 1.732 -13.105 -5.011 1.00 0.00 N ATOM 544 CA SER A 35 0.275 -13.120 -4.966 1.00 0.00 C ATOM 545 C SER A 35 -0.225 -13.979 -3.808 1.00 0.00 C ATOM 546 O SER A 35 -1.032 -13.533 -2.992 1.00 0.00 O ATOM 547 CB SER A 35 -0.292 -13.646 -6.287 1.00 0.00 C ATOM 548 OG SER A 35 -1.699 -13.794 -6.215 1.00 0.00 O ATOM 0 H SER A 35 2.125 -13.124 -5.952 1.00 0.00 H new ATOM 0 HA SER A 35 -0.069 -12.097 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.036 -12.960 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.166 -14.606 -6.526 1.00 0.00 H new ATOM 0 HG SER A 35 -1.938 -14.731 -6.377 1.00 0.00 H new ATOM 554 N LYS A 36 0.261 -15.214 -3.743 1.00 0.00 N ATOM 555 CA LYS A 36 -0.133 -16.137 -2.685 1.00 0.00 C ATOM 556 C LYS A 36 0.210 -15.568 -1.312 1.00 0.00 C ATOM 557 O LYS A 36 -0.584 -15.661 -0.374 1.00 0.00 O ATOM 558 CB LYS A 36 0.557 -17.489 -2.876 1.00 0.00 C ATOM 559 CG LYS A 36 -0.237 -18.462 -3.731 1.00 0.00 C ATOM 560 CD LYS A 36 0.040 -18.258 -5.211 1.00 0.00 C ATOM 561 CE LYS A 36 -0.892 -19.096 -6.073 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.477 -20.526 -6.109 1.00 0.00 N ATOM 0 H LYS A 36 0.929 -15.599 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.213 -16.276 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.533 -17.328 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.734 -17.938 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.016 -19.484 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.302 -18.332 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.079 -17.204 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.075 -18.523 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.909 -19.022 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.907 -18.696 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.137 -21.064 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.483 -20.599 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.487 -20.915 -5.145 1.00 0.00 H new ATOM 576 N LEU A 37 1.395 -14.980 -1.199 1.00 0.00 N ATOM 577 CA LEU A 37 1.843 -14.395 0.060 1.00 0.00 C ATOM 578 C LEU A 37 0.771 -13.482 0.648 1.00 0.00 C ATOM 579 O LEU A 37 0.523 -13.496 1.854 1.00 0.00 O ATOM 580 CB LEU A 37 3.138 -13.609 -0.152 1.00 0.00 C ATOM 581 CG LEU A 37 3.833 -13.106 1.114 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.642 -14.222 1.757 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.723 -11.914 0.796 1.00 0.00 C ATOM 0 H LEU A 37 2.064 -14.895 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 37 2.029 -15.207 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.837 -14.241 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.919 -12.751 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 37 3.069 -12.784 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.130 -13.846 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.979 -15.046 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.398 -14.575 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.209 -11.569 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.481 -12.209 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.117 -11.108 0.381 1.00 0.00 H new ATOM 595 N ILE A 38 0.137 -12.692 -0.212 1.00 0.00 N ATOM 596 CA ILE A 38 -0.910 -11.776 0.221 1.00 0.00 C ATOM 597 C ILE A 38 -2.254 -12.488 0.330 1.00 0.00 C ATOM 598 O ILE A 38 -2.904 -12.454 1.373 1.00 0.00 O ATOM 599 CB ILE A 38 -1.050 -10.583 -0.744 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.273 -9.821 -0.843 1.00 0.00 C ATOM 601 CG2 ILE A 38 -2.167 -9.659 -0.284 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.291 -8.782 -1.942 1.00 0.00 C ATOM 0 H ILE A 38 0.331 -12.668 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.618 -11.405 1.203 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.303 -10.963 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.474 -9.333 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.081 -10.533 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.254 -8.821 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.108 -10.209 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.941 -9.284 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.259 -8.281 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.121 -9.267 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.495 -8.048 -1.762 1.00 0.00 H new ATOM 614 N GLY A 39 -2.663 -13.136 -0.757 1.00 0.00 N ATOM 615 CA GLY A 39 -3.927 -13.850 -0.763 1.00 0.00 C ATOM 616 C GLY A 39 -5.104 -12.942 -1.059 1.00 0.00 C ATOM 617 O GLY A 39 -5.975 -13.284 -1.859 1.00 0.00 O ATOM 0 H GLY A 39 -2.142 -13.179 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.888 -14.644 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.075 -14.328 0.205 1.00 0.00 H new ATOM 621 N SER A 40 -5.132 -11.782 -0.412 1.00 0.00 N ATOM 622 CA SER A 40 -6.215 -10.824 -0.606 1.00 0.00 C ATOM 623 C SER A 40 -6.296 -10.384 -2.064 1.00 0.00 C ATOM 624 O SER A 40 -7.385 -10.198 -2.608 1.00 0.00 O ATOM 625 CB SER A 40 -6.013 -9.604 0.296 1.00 0.00 C ATOM 626 OG SER A 40 -7.114 -8.717 0.208 1.00 0.00 O ATOM 0 H SER A 40 -4.417 -11.482 0.251 1.00 0.00 H new ATOM 0 HA SER A 40 -7.152 -11.313 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.885 -9.929 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.099 -9.084 0.010 1.00 0.00 H new ATOM 0 HG SER A 40 -6.961 -7.947 0.794 1.00 0.00 H new ATOM 632 N ARG A 41 -5.136 -10.221 -2.692 1.00 0.00 N ATOM 633 CA ARG A 41 -5.075 -9.802 -4.087 1.00 0.00 C ATOM 634 C ARG A 41 -4.785 -10.990 -4.999 1.00 0.00 C ATOM 635 O ARG A 41 -4.208 -11.990 -4.571 1.00 0.00 O ATOM 636 CB ARG A 41 -4.001 -8.729 -4.273 1.00 0.00 C ATOM 637 CG ARG A 41 -4.411 -7.360 -3.755 1.00 0.00 C ATOM 638 CD ARG A 41 -5.652 -6.844 -4.466 1.00 0.00 C ATOM 639 NE ARG A 41 -6.881 -7.304 -3.824 1.00 0.00 N ATOM 640 CZ ARG A 41 -8.093 -7.112 -4.335 1.00 0.00 C ATOM 641 NH1 ARG A 41 -8.236 -6.474 -5.488 1.00 0.00 N ATOM 642 NH2 ARG A 41 -9.163 -7.560 -3.692 1.00 0.00 N ATOM 0 H ARG A 41 -4.226 -10.373 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.045 -9.386 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.092 -9.044 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.759 -8.649 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.602 -7.417 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.591 -6.656 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.636 -5.754 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.639 -7.175 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.805 -7.799 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.415 -6.129 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.167 -6.328 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.056 -8.052 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.093 -7.412 -4.085 1.00 0.00 H new ATOM 656 N THR A 42 -5.190 -10.874 -6.260 1.00 0.00 N ATOM 657 CA THR A 42 -4.976 -11.939 -7.233 1.00 0.00 C ATOM 658 C THR A 42 -3.668 -11.737 -7.990 1.00 0.00 C ATOM 659 O THR A 42 -3.021 -10.697 -7.865 1.00 0.00 O ATOM 660 CB THR A 42 -6.135 -12.017 -8.244 1.00 0.00 C ATOM 661 OG1 THR A 42 -6.042 -10.938 -9.180 1.00 0.00 O ATOM 662 CG2 THR A 42 -7.478 -11.964 -7.533 1.00 0.00 C ATOM 0 H THR A 42 -5.668 -10.053 -6.632 1.00 0.00 H new ATOM 0 HA THR A 42 -4.928 -12.874 -6.674 1.00 0.00 H new ATOM 0 HB THR A 42 -6.061 -12.966 -8.776 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.782 -10.996 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.281 -12.021 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.558 -12.804 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.559 -11.029 -6.978 1.00 0.00 H new ATOM 670 N VAL A 43 -3.284 -12.737 -8.776 1.00 0.00 N ATOM 671 CA VAL A 43 -2.054 -12.669 -9.555 1.00 0.00 C ATOM 672 C VAL A 43 -2.126 -11.560 -10.599 1.00 0.00 C ATOM 673 O VAL A 43 -1.130 -10.892 -10.882 1.00 0.00 O ATOM 674 CB VAL A 43 -1.762 -14.006 -10.262 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.714 -13.817 -11.349 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.315 -15.054 -9.255 1.00 0.00 C ATOM 0 H VAL A 43 -3.808 -13.605 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.247 -12.454 -8.854 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.680 -14.357 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.520 -14.772 -11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.078 -13.100 -12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.208 -13.443 -10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.113 -15.992 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.409 -14.714 -8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.102 -15.208 -8.517 1.00 0.00 H new ATOM 686 N LEU A 44 -3.310 -11.367 -11.169 1.00 0.00 N ATOM 687 CA LEU A 44 -3.514 -10.338 -12.182 1.00 0.00 C ATOM 688 C LEU A 44 -3.166 -8.957 -11.634 1.00 0.00 C ATOM 689 O LEU A 44 -2.427 -8.199 -12.260 1.00 0.00 O ATOM 690 CB LEU A 44 -4.963 -10.354 -12.671 1.00 0.00 C ATOM 691 CG LEU A 44 -5.374 -11.563 -13.512 1.00 0.00 C ATOM 692 CD1 LEU A 44 -5.168 -11.279 -14.992 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.590 -12.798 -13.090 1.00 0.00 C ATOM 0 H LEU A 44 -4.144 -11.910 -10.947 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.852 -10.554 -13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.619 -10.301 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.137 -9.452 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.434 -11.755 -13.344 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.466 -12.151 -15.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.774 -10.422 -15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.116 -11.061 -15.178 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.896 -13.649 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.524 -12.617 -13.228 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.788 -13.014 -12.040 1.00 0.00 H new ATOM 705 N GLN A 45 -3.702 -8.641 -10.459 1.00 0.00 N ATOM 706 CA GLN A 45 -3.446 -7.352 -9.826 1.00 0.00 C ATOM 707 C GLN A 45 -1.966 -7.194 -9.493 1.00 0.00 C ATOM 708 O GLN A 45 -1.387 -6.125 -9.687 1.00 0.00 O ATOM 709 CB GLN A 45 -4.286 -7.210 -8.555 1.00 0.00 C ATOM 710 CG GLN A 45 -5.714 -6.760 -8.817 1.00 0.00 C ATOM 711 CD GLN A 45 -6.504 -7.768 -9.627 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.245 -7.968 -10.814 1.00 0.00 O ATOM 713 NE2 GLN A 45 -7.476 -8.409 -8.989 1.00 0.00 N ATOM 0 H GLN A 45 -4.315 -9.259 -9.927 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.727 -6.567 -10.528 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.305 -8.167 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.804 -6.494 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.218 -6.590 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.699 -5.807 -9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.656 -8.212 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.042 -9.098 -9.483 1.00 0.00 H new ATOM 722 N VAL A 46 -1.360 -8.264 -8.990 1.00 0.00 N ATOM 723 CA VAL A 46 0.053 -8.244 -8.631 1.00 0.00 C ATOM 724 C VAL A 46 0.933 -8.104 -9.868 1.00 0.00 C ATOM 725 O VAL A 46 2.061 -7.617 -9.789 1.00 0.00 O ATOM 726 CB VAL A 46 0.457 -9.520 -7.869 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.963 -9.565 -7.661 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.276 -9.600 -6.538 1.00 0.00 C ATOM 0 H VAL A 46 -1.825 -9.156 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 46 0.202 -7.380 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 46 0.172 -10.385 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.229 -10.474 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.464 -9.558 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.277 -8.695 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.021 -10.508 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.024 -8.730 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.351 -9.619 -6.715 1.00 0.00 H new ATOM 738 N LYS A 47 0.410 -8.533 -11.011 1.00 0.00 N ATOM 739 CA LYS A 47 1.146 -8.454 -12.267 1.00 0.00 C ATOM 740 C LYS A 47 1.103 -7.039 -12.835 1.00 0.00 C ATOM 741 O LYS A 47 2.085 -6.557 -13.399 1.00 0.00 O ATOM 742 CB LYS A 47 0.567 -9.441 -13.284 1.00 0.00 C ATOM 743 CG LYS A 47 1.095 -10.857 -13.126 1.00 0.00 C ATOM 744 CD LYS A 47 0.453 -11.805 -14.125 1.00 0.00 C ATOM 745 CE LYS A 47 1.200 -13.129 -14.195 1.00 0.00 C ATOM 746 NZ LYS A 47 0.572 -14.069 -15.164 1.00 0.00 N ATOM 0 H LYS A 47 -0.522 -8.939 -11.094 1.00 0.00 H new ATOM 0 HA LYS A 47 2.185 -8.715 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.519 -9.454 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.793 -9.088 -14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.176 -10.861 -13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.900 -11.208 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.584 -11.985 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.439 -11.341 -15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.235 -12.947 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.221 -13.587 -13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.110 -14.959 -15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.408 -14.263 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.575 -13.643 -16.113 1.00 0.00 H new ATOM 760 N SER A 48 -0.040 -6.379 -12.682 1.00 0.00 N ATOM 761 CA SER A 48 -0.211 -5.020 -13.182 1.00 0.00 C ATOM 762 C SER A 48 0.297 -4.000 -12.167 1.00 0.00 C ATOM 763 O SER A 48 0.565 -2.848 -12.509 1.00 0.00 O ATOM 764 CB SER A 48 -1.684 -4.752 -13.498 1.00 0.00 C ATOM 765 OG SER A 48 -1.910 -3.375 -13.744 1.00 0.00 O ATOM 0 H SER A 48 -0.862 -6.763 -12.216 1.00 0.00 H new ATOM 0 HA SER A 48 0.374 -4.919 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.984 -5.334 -14.369 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.304 -5.082 -12.665 1.00 0.00 H new ATOM 0 HG SER A 48 -2.858 -3.230 -13.945 1.00 0.00 H new ATOM 771 N TYR A 49 0.426 -4.432 -10.918 1.00 0.00 N ATOM 772 CA TYR A 49 0.900 -3.558 -9.852 1.00 0.00 C ATOM 773 C TYR A 49 2.421 -3.449 -9.871 1.00 0.00 C ATOM 774 O TYR A 49 2.978 -2.356 -9.774 1.00 0.00 O ATOM 775 CB TYR A 49 0.431 -4.077 -8.492 1.00 0.00 C ATOM 776 CG TYR A 49 1.249 -3.558 -7.331 1.00 0.00 C ATOM 777 CD1 TYR A 49 1.022 -2.290 -6.808 1.00 0.00 C ATOM 778 CD2 TYR A 49 2.249 -4.333 -6.758 1.00 0.00 C ATOM 779 CE1 TYR A 49 1.767 -1.811 -5.748 1.00 0.00 C ATOM 780 CE2 TYR A 49 2.999 -3.863 -5.697 1.00 0.00 C ATOM 781 CZ TYR A 49 2.754 -2.601 -5.195 1.00 0.00 C ATOM 782 OH TYR A 49 3.499 -2.128 -4.139 1.00 0.00 O ATOM 0 H TYR A 49 0.209 -5.383 -10.619 1.00 0.00 H new ATOM 0 HA TYR A 49 0.482 -2.565 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.612 -3.796 -8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.470 -5.166 -8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.250 -1.669 -7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.444 -5.321 -7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.578 -0.823 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.772 -4.480 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 49 4.150 -2.808 -3.867 1.00 0.00 H new ATOM 792 N ALA A 50 3.088 -4.592 -9.998 1.00 0.00 N ATOM 793 CA ALA A 50 4.544 -4.627 -10.033 1.00 0.00 C ATOM 794 C ALA A 50 5.100 -3.488 -10.881 1.00 0.00 C ATOM 795 O ALA A 50 6.095 -2.860 -10.519 1.00 0.00 O ATOM 796 CB ALA A 50 5.027 -5.968 -10.565 1.00 0.00 C ATOM 0 H ALA A 50 2.642 -5.506 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 50 4.911 -4.499 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.117 -5.980 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.667 -6.767 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.643 -6.119 -11.574 1.00 0.00 H new ATOM 802 N ARG A 51 4.453 -3.228 -12.012 1.00 0.00 N ATOM 803 CA ARG A 51 4.884 -2.166 -12.913 1.00 0.00 C ATOM 804 C ARG A 51 4.358 -0.811 -12.447 1.00 0.00 C ATOM 805 O ARG A 51 5.036 0.208 -12.582 1.00 0.00 O ATOM 806 CB ARG A 51 4.404 -2.449 -14.337 1.00 0.00 C ATOM 807 CG ARG A 51 2.894 -2.577 -14.457 1.00 0.00 C ATOM 808 CD ARG A 51 2.502 -3.483 -15.613 1.00 0.00 C ATOM 809 NE ARG A 51 2.335 -2.740 -16.859 1.00 0.00 N ATOM 810 CZ ARG A 51 1.792 -3.256 -17.956 1.00 0.00 C ATOM 811 NH1 ARG A 51 1.366 -4.512 -17.961 1.00 0.00 N ATOM 812 NH2 ARG A 51 1.675 -2.517 -19.051 1.00 0.00 N ATOM 0 H ARG A 51 3.628 -3.739 -12.326 1.00 0.00 H new ATOM 0 HA ARG A 51 5.974 -2.137 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.745 -1.648 -14.992 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.867 -3.370 -14.691 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.486 -2.974 -13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.454 -1.590 -14.602 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.265 -4.249 -15.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.572 -3.998 -15.371 1.00 0.00 H new ATOM 0 HE ARG A 51 2.653 -1.771 -16.889 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.455 -5.084 -17.121 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.949 -4.906 -18.805 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.002 -1.551 -19.052 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.258 -2.915 -19.893 1.00 0.00 H new ATOM 826 N GLN A 52 3.147 -0.809 -11.901 1.00 0.00 N ATOM 827 CA GLN A 52 2.530 0.421 -11.417 1.00 0.00 C ATOM 828 C GLN A 52 3.385 1.069 -10.333 1.00 0.00 C ATOM 829 O GLN A 52 3.612 2.279 -10.349 1.00 0.00 O ATOM 830 CB GLN A 52 1.129 0.134 -10.873 1.00 0.00 C ATOM 831 CG GLN A 52 0.168 1.303 -11.021 1.00 0.00 C ATOM 832 CD GLN A 52 -0.994 1.229 -10.050 1.00 0.00 C ATOM 833 OE1 GLN A 52 -1.082 2.015 -9.107 1.00 0.00 O ATOM 834 NE2 GLN A 52 -1.895 0.280 -10.277 1.00 0.00 N ATOM 0 H GLN A 52 2.573 -1.644 -11.782 1.00 0.00 H new ATOM 0 HA GLN A 52 2.452 1.113 -12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.717 -0.732 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.205 -0.132 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.709 2.236 -10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.216 1.326 -12.041 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.783 -0.350 -11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.699 0.182 -9.657 1.00 0.00 H new ATOM 843 N TYR A 53 3.857 0.257 -9.394 1.00 0.00 N ATOM 844 CA TYR A 53 4.686 0.752 -8.301 1.00 0.00 C ATOM 845 C TYR A 53 5.882 1.535 -8.835 1.00 0.00 C ATOM 846 O TYR A 53 6.032 2.726 -8.562 1.00 0.00 O ATOM 847 CB TYR A 53 5.170 -0.410 -7.433 1.00 0.00 C ATOM 848 CG TYR A 53 6.056 0.019 -6.286 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.673 1.047 -5.433 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.277 -0.603 -6.055 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.480 1.443 -4.384 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.089 -0.215 -5.007 1.00 0.00 C ATOM 853 CZ TYR A 53 7.687 0.809 -4.175 1.00 0.00 C ATOM 854 OH TYR A 53 8.494 1.199 -3.131 1.00 0.00 O ATOM 0 H TYR A 53 3.680 -0.747 -9.367 1.00 0.00 H new ATOM 0 HA TYR A 53 4.078 1.422 -7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.305 -0.940 -7.034 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.716 -1.117 -8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.728 1.545 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.597 -1.403 -6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.168 2.245 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.034 -0.711 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 53 9.306 0.651 -3.123 1.00 0.00 H new ATOM 864 N PHE A 54 6.731 0.856 -9.600 1.00 0.00 N ATOM 865 CA PHE A 54 7.914 1.486 -10.173 1.00 0.00 C ATOM 866 C PHE A 54 7.562 2.828 -10.809 1.00 0.00 C ATOM 867 O PHE A 54 8.382 3.745 -10.846 1.00 0.00 O ATOM 868 CB PHE A 54 8.553 0.567 -11.216 1.00 0.00 C ATOM 869 CG PHE A 54 9.187 -0.660 -10.626 1.00 0.00 C ATOM 870 CD1 PHE A 54 10.263 -0.552 -9.760 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.707 -1.922 -10.938 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.848 -1.679 -9.214 1.00 0.00 C ATOM 873 CE2 PHE A 54 9.288 -3.053 -10.395 1.00 0.00 C ATOM 874 CZ PHE A 54 10.361 -2.931 -9.533 1.00 0.00 C ATOM 0 H PHE A 54 6.621 -0.130 -9.837 1.00 0.00 H new ATOM 0 HA PHE A 54 8.627 1.661 -9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.793 0.263 -11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.308 1.127 -11.768 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.649 0.425 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.870 -2.023 -11.613 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.685 -1.580 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.904 -4.031 -10.644 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.818 -3.813 -9.110 1.00 0.00 H new ATOM 884 N LYS A 55 6.337 2.934 -11.311 1.00 0.00 N ATOM 885 CA LYS A 55 5.873 4.163 -11.946 1.00 0.00 C ATOM 886 C LYS A 55 5.434 5.183 -10.900 1.00 0.00 C ATOM 887 O LYS A 55 5.734 6.370 -11.014 1.00 0.00 O ATOM 888 CB LYS A 55 4.714 3.863 -12.899 1.00 0.00 C ATOM 889 CG LYS A 55 4.028 5.108 -13.433 1.00 0.00 C ATOM 890 CD LYS A 55 2.559 4.853 -13.725 1.00 0.00 C ATOM 891 CE LYS A 55 1.726 6.111 -13.532 1.00 0.00 C ATOM 892 NZ LYS A 55 0.538 6.133 -14.431 1.00 0.00 N ATOM 0 H LYS A 55 5.646 2.184 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 55 6.702 4.585 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.087 3.276 -13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.979 3.247 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.121 5.916 -12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.529 5.439 -14.343 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.447 4.495 -14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.188 4.065 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.398 6.174 -12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.343 6.988 -13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.004 7.006 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.852 6.099 -15.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.065 5.309 -14.230 1.00 0.00 H new ATOM 906 N ASN A 56 4.723 4.711 -9.881 1.00 0.00 N ATOM 907 CA ASN A 56 4.243 5.583 -8.815 1.00 0.00 C ATOM 908 C ASN A 56 5.411 6.222 -8.068 1.00 0.00 C ATOM 909 O ASN A 56 5.390 7.415 -7.766 1.00 0.00 O ATOM 910 CB ASN A 56 3.369 4.794 -7.838 1.00 0.00 C ATOM 911 CG ASN A 56 1.905 4.806 -8.233 1.00 0.00 C ATOM 912 OD1 ASN A 56 1.518 5.457 -9.204 1.00 0.00 O ATOM 913 ND2 ASN A 56 1.083 4.085 -7.480 1.00 0.00 N ATOM 0 H ASN A 56 4.467 3.730 -9.771 1.00 0.00 H new ATOM 0 HA ASN A 56 3.647 6.375 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.721 3.764 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.476 5.214 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.087 4.055 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.448 3.561 -6.685 1.00 0.00 H new ATOM 920 N LYS A 57 6.428 5.419 -7.774 1.00 0.00 N ATOM 921 CA LYS A 57 7.606 5.905 -7.065 1.00 0.00 C ATOM 922 C LYS A 57 7.997 7.297 -7.550 1.00 0.00 C ATOM 923 O LYS A 57 8.003 8.255 -6.778 1.00 0.00 O ATOM 924 CB LYS A 57 8.776 4.938 -7.257 1.00 0.00 C ATOM 925 CG LYS A 57 8.772 3.776 -6.279 1.00 0.00 C ATOM 926 CD LYS A 57 10.104 3.044 -6.276 1.00 0.00 C ATOM 927 CE LYS A 57 10.322 2.278 -7.571 1.00 0.00 C ATOM 928 NZ LYS A 57 11.755 1.923 -7.771 1.00 0.00 N ATOM 0 H LYS A 57 6.460 4.429 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 57 7.363 5.965 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.749 4.546 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.711 5.487 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.556 4.144 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.975 3.081 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.914 3.760 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.139 2.353 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.721 1.369 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.976 2.880 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.936 1.767 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.356 2.699 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.975 1.055 -7.242 1.00 0.00 H new ATOM 942 N VAL A 58 8.324 7.401 -8.834 1.00 0.00 N ATOM 943 CA VAL A 58 8.714 8.676 -9.423 1.00 0.00 C ATOM 944 C VAL A 58 7.735 9.102 -10.511 1.00 0.00 C ATOM 945 O VAL A 58 7.440 8.338 -11.430 1.00 0.00 O ATOM 946 CB VAL A 58 10.132 8.608 -10.021 1.00 0.00 C ATOM 947 CG1 VAL A 58 10.501 9.932 -10.672 1.00 0.00 C ATOM 948 CG2 VAL A 58 11.144 8.231 -8.950 1.00 0.00 C ATOM 0 H VAL A 58 8.327 6.617 -9.486 1.00 0.00 H new ATOM 0 HA VAL A 58 8.702 9.412 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 58 10.146 7.836 -10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.506 9.865 -11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.792 10.156 -11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.470 10.726 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.140 8.188 -9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.130 8.979 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.888 7.256 -8.535 1.00 0.00 H new ATOM 958 N LYS A 59 7.234 10.328 -10.402 1.00 0.00 N ATOM 959 CA LYS A 59 6.289 10.858 -11.378 1.00 0.00 C ATOM 960 C LYS A 59 6.780 12.186 -11.945 1.00 0.00 C ATOM 961 O LYS A 59 7.000 13.145 -11.203 1.00 0.00 O ATOM 962 CB LYS A 59 4.912 11.043 -10.736 1.00 0.00 C ATOM 963 CG LYS A 59 4.881 12.117 -9.662 1.00 0.00 C ATOM 964 CD LYS A 59 3.532 12.169 -8.965 1.00 0.00 C ATOM 965 CE LYS A 59 3.348 10.994 -8.017 1.00 0.00 C ATOM 966 NZ LYS A 59 4.229 11.103 -6.822 1.00 0.00 N ATOM 0 H LYS A 59 7.467 10.973 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 59 6.209 10.142 -12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.190 11.296 -11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.593 10.096 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.663 11.922 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.098 13.087 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.444 13.103 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.736 12.165 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.307 10.945 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.564 10.065 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.894 10.452 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.204 10.855 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.205 12.078 -6.461 1.00 0.00 H new ATOM 980 N CYS A 60 6.949 12.236 -13.261 1.00 0.00 N ATOM 981 CA CYS A 60 7.413 13.448 -13.927 1.00 0.00 C ATOM 982 C CYS A 60 6.659 14.672 -13.417 1.00 0.00 C ATOM 983 O CYS A 60 5.507 14.901 -13.782 1.00 0.00 O ATOM 984 CB CYS A 60 7.239 13.321 -15.441 1.00 0.00 C ATOM 985 SG CYS A 60 8.336 12.108 -16.212 1.00 0.00 S ATOM 0 H CYS A 60 6.772 11.452 -13.888 1.00 0.00 H new ATOM 0 HA CYS A 60 8.471 13.575 -13.699 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.206 13.048 -15.655 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.413 14.295 -15.899 1.00 0.00 H new ATOM 0 HG CYS A 60 8.112 12.072 -17.492 1.00 0.00 H new ATOM 991 N GLY A 61 7.318 15.455 -12.568 1.00 0.00 N ATOM 992 CA GLY A 61 6.694 16.645 -12.020 1.00 0.00 C ATOM 993 C GLY A 61 7.480 17.231 -10.864 1.00 0.00 C ATOM 994 O GLY A 61 7.180 16.963 -9.700 1.00 0.00 O ATOM 0 H GLY A 61 8.272 15.286 -12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.595 17.394 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.686 16.401 -11.684 1.00 0.00 H new ATOM 998 N LEU A 62 8.491 18.032 -11.183 1.00 0.00 N ATOM 999 CA LEU A 62 9.324 18.657 -10.162 1.00 0.00 C ATOM 1000 C LEU A 62 8.718 19.978 -9.699 1.00 0.00 C ATOM 1001 O LEU A 62 9.118 21.050 -10.155 1.00 0.00 O ATOM 1002 CB LEU A 62 10.736 18.892 -10.701 1.00 0.00 C ATOM 1003 CG LEU A 62 11.718 17.731 -10.539 1.00 0.00 C ATOM 1004 CD1 LEU A 62 12.898 17.894 -11.484 1.00 0.00 C ATOM 1005 CD2 LEU A 62 12.196 17.634 -9.097 1.00 0.00 C ATOM 0 H LEU A 62 8.754 18.264 -12.141 1.00 0.00 H new ATOM 0 HA LEU A 62 9.376 17.982 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.663 19.135 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.153 19.767 -10.202 1.00 0.00 H new ATOM 0 HG LEU A 62 11.201 16.805 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.586 17.059 -11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.540 17.913 -12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.415 18.828 -11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.894 16.802 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.695 18.561 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.342 17.469 -8.441 1.00 0.00 H new ATOM 1017 N ASP A 63 7.755 19.894 -8.788 1.00 0.00 N ATOM 1018 CA ASP A 63 7.096 21.083 -8.260 1.00 0.00 C ATOM 1019 C ASP A 63 7.797 21.578 -6.998 1.00 0.00 C ATOM 1020 O ASP A 63 7.149 21.945 -6.018 1.00 0.00 O ATOM 1021 CB ASP A 63 5.626 20.787 -7.959 1.00 0.00 C ATOM 1022 CG ASP A 63 5.446 19.519 -7.148 1.00 0.00 C ATOM 1023 OD1 ASP A 63 5.519 18.421 -7.738 1.00 0.00 O ATOM 1024 OD2 ASP A 63 5.232 19.624 -5.922 1.00 0.00 O ATOM 0 H ASP A 63 7.413 19.015 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 63 7.153 21.866 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.193 21.627 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.077 20.696 -8.896 1.00 0.00 H new ATOM 1029 N LYS A 64 9.126 21.583 -7.029 1.00 0.00 N ATOM 1030 CA LYS A 64 9.916 22.032 -5.889 1.00 0.00 C ATOM 1031 C LYS A 64 9.646 21.163 -4.664 1.00 0.00 C ATOM 1032 O LYS A 64 9.500 21.671 -3.553 1.00 0.00 O ATOM 1033 CB LYS A 64 9.602 23.495 -5.569 1.00 0.00 C ATOM 1034 CG LYS A 64 10.134 24.471 -6.603 1.00 0.00 C ATOM 1035 CD LYS A 64 11.625 24.711 -6.429 1.00 0.00 C ATOM 1036 CE LYS A 64 11.902 25.726 -5.331 1.00 0.00 C ATOM 1037 NZ LYS A 64 13.322 25.689 -4.886 1.00 0.00 N ATOM 0 H LYS A 64 9.678 21.281 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 64 10.970 21.942 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.522 23.617 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.024 23.744 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.941 24.083 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.600 25.418 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.120 23.770 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.050 25.065 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.661 26.726 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.250 25.528 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.470 26.395 -4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.546 24.742 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.944 25.903 -5.692 1.00 0.00 H new ATOM 1051 N GLU A 65 9.584 19.852 -4.876 1.00 0.00 N ATOM 1052 CA GLU A 65 9.332 18.914 -3.788 1.00 0.00 C ATOM 1053 C GLU A 65 10.642 18.355 -3.239 1.00 0.00 C ATOM 1054 O GLU A 65 11.710 18.561 -3.816 1.00 0.00 O ATOM 1055 CB GLU A 65 8.438 17.770 -4.268 1.00 0.00 C ATOM 1056 CG GLU A 65 7.665 17.091 -3.150 1.00 0.00 C ATOM 1057 CD GLU A 65 6.386 16.438 -3.637 1.00 0.00 C ATOM 1058 OE1 GLU A 65 5.733 17.008 -4.536 1.00 0.00 O ATOM 1059 OE2 GLU A 65 6.039 15.356 -3.119 1.00 0.00 O ATOM 0 H GLU A 65 9.705 19.416 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 65 8.822 19.452 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.732 18.156 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.054 17.027 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.298 16.337 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.424 17.826 -2.382 1.00 0.00 H new ATOM 1066 N THR A 66 10.551 17.647 -2.117 1.00 0.00 N ATOM 1067 CA THR A 66 11.727 17.059 -1.488 1.00 0.00 C ATOM 1068 C THR A 66 11.947 15.627 -1.962 1.00 0.00 C ATOM 1069 O THR A 66 11.003 14.893 -2.256 1.00 0.00 O ATOM 1070 CB THR A 66 11.605 17.066 0.048 1.00 0.00 C ATOM 1071 OG1 THR A 66 10.703 16.038 0.472 1.00 0.00 O ATOM 1072 CG2 THR A 66 11.112 18.416 0.546 1.00 0.00 C ATOM 0 H THR A 66 9.675 17.467 -1.626 1.00 0.00 H new ATOM 0 HA THR A 66 12.580 17.671 -1.781 1.00 0.00 H new ATOM 0 HB THR A 66 12.593 16.880 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.205 15.214 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.034 18.396 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.815 19.193 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.133 18.627 0.116 1.00 0.00 H new ATOM 1080 N PRO A 67 13.222 15.218 -2.039 1.00 0.00 N ATOM 1081 CA PRO A 67 13.595 13.869 -2.477 1.00 0.00 C ATOM 1082 C PRO A 67 13.211 12.802 -1.458 1.00 0.00 C ATOM 1083 O PRO A 67 13.499 11.621 -1.644 1.00 0.00 O ATOM 1084 CB PRO A 67 15.117 13.951 -2.618 1.00 0.00 C ATOM 1085 CG PRO A 67 15.525 15.045 -1.693 1.00 0.00 C ATOM 1086 CD PRO A 67 14.397 16.039 -1.704 1.00 0.00 C ATOM 0 HA PRO A 67 13.083 13.582 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.591 13.007 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.408 14.172 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.697 14.662 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.456 15.507 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.283 16.528 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.561 16.825 -2.441 1.00 0.00 H new ATOM 1094 N ASN A 68 12.559 13.227 -0.380 1.00 0.00 N ATOM 1095 CA ASN A 68 12.136 12.306 0.669 1.00 0.00 C ATOM 1096 C ASN A 68 10.694 12.582 1.085 1.00 0.00 C ATOM 1097 O ASN A 68 10.118 13.606 0.719 1.00 0.00 O ATOM 1098 CB ASN A 68 13.060 12.424 1.883 1.00 0.00 C ATOM 1099 CG ASN A 68 14.526 12.397 1.498 1.00 0.00 C ATOM 1100 OD1 ASN A 68 14.960 11.545 0.722 1.00 0.00 O ATOM 1101 ND2 ASN A 68 15.297 13.332 2.040 1.00 0.00 N ATOM 0 H ASN A 68 12.312 14.202 -0.210 1.00 0.00 H new ATOM 0 HA ASN A 68 12.194 11.292 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.843 13.352 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.854 11.607 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.292 13.364 1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.894 14.018 2.678 1.00 0.00 H new ATOM 1108 N GLN A 69 10.118 11.661 1.851 1.00 0.00 N ATOM 1109 CA GLN A 69 8.744 11.805 2.316 1.00 0.00 C ATOM 1110 C GLN A 69 8.669 11.690 3.835 1.00 0.00 C ATOM 1111 O GLN A 69 8.871 10.614 4.398 1.00 0.00 O ATOM 1112 CB GLN A 69 7.850 10.746 1.668 1.00 0.00 C ATOM 1113 CG GLN A 69 8.296 9.320 1.947 1.00 0.00 C ATOM 1114 CD GLN A 69 7.654 8.314 1.011 1.00 0.00 C ATOM 1115 OE1 GLN A 69 7.523 8.560 -0.188 1.00 0.00 O ATOM 1116 NE2 GLN A 69 7.250 7.173 1.556 1.00 0.00 N ATOM 0 H GLN A 69 10.582 10.808 2.162 1.00 0.00 H new ATOM 0 HA GLN A 69 8.391 12.795 2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.829 10.875 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.832 10.908 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.380 9.257 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.050 9.061 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.379 7.011 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.811 6.458 0.976 1.00 0.00 H new ATOM 1125 N LYS A 70 8.377 12.806 4.494 1.00 0.00 N ATOM 1126 CA LYS A 70 8.274 12.832 5.948 1.00 0.00 C ATOM 1127 C LYS A 70 7.298 11.769 6.443 1.00 0.00 C ATOM 1128 O LYS A 70 6.292 11.483 5.793 1.00 0.00 O ATOM 1129 CB LYS A 70 7.823 14.215 6.424 1.00 0.00 C ATOM 1130 CG LYS A 70 8.125 14.484 7.888 1.00 0.00 C ATOM 1131 CD LYS A 70 7.921 15.948 8.240 1.00 0.00 C ATOM 1132 CE LYS A 70 8.610 16.308 9.547 1.00 0.00 C ATOM 1133 NZ LYS A 70 10.091 16.190 9.444 1.00 0.00 N ATOM 0 H LYS A 70 8.207 13.705 4.044 1.00 0.00 H new ATOM 0 HA LYS A 70 9.259 12.616 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.311 14.976 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.750 14.315 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.481 13.866 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.153 14.196 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.311 16.574 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.855 16.159 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.346 17.327 9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.248 15.654 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.530 17.101 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.427 15.456 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.352 15.931 8.471 1.00 0.00 H new ATOM 1147 N THR A 71 7.601 11.187 7.600 1.00 0.00 N ATOM 1148 CA THR A 71 6.751 10.156 8.182 1.00 0.00 C ATOM 1149 C THR A 71 6.378 10.499 9.620 1.00 0.00 C ATOM 1150 O THR A 71 7.180 11.065 10.362 1.00 0.00 O ATOM 1151 CB THR A 71 7.440 8.779 8.157 1.00 0.00 C ATOM 1152 OG1 THR A 71 7.845 8.459 6.821 1.00 0.00 O ATOM 1153 CG2 THR A 71 6.508 7.698 8.683 1.00 0.00 C ATOM 0 H THR A 71 8.429 11.412 8.152 1.00 0.00 H new ATOM 0 HA THR A 71 5.847 10.112 7.575 1.00 0.00 H new ATOM 0 HB THR A 71 8.318 8.824 8.802 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.284 7.583 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.017 6.734 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.225 7.930 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.614 7.654 8.061 1.00 0.00 H new ATOM 1161 N GLY A 72 5.155 10.151 10.008 1.00 0.00 N ATOM 1162 CA GLY A 72 4.698 10.430 11.357 1.00 0.00 C ATOM 1163 C GLY A 72 3.520 9.564 11.761 1.00 0.00 C ATOM 1164 O GLY A 72 2.827 9.011 10.907 1.00 0.00 O ATOM 0 H GLY A 72 4.473 9.681 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.519 10.270 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.416 11.480 11.432 1.00 0.00 H new TER 1168 GLY A 72