USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 37 THR OG1 : rot 180:sc= 0.00435 USER MOD Set 1.2: A 41 ASN :FLIP amide:sc= -0.746 F(o=-3!,f=-0.74) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc=-0.000415 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.68 K(o=-0.68,f=-1.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.08! C(o=-2.1!,f=-6.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.145 (180deg=-0.442!) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= -0.106 (180deg=-0.759) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.126 X(o=0.13,f=-0.057) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00171 K(o=-0.0017,f=-1.2) USER MOD Single : A 50 ASN : amide:sc=-0.000726 X(o=-0.00073,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 0.909 -2.030 -1.713 1.00 42.50 N ATOM 12 CA LYS A 2 0.783 -3.332 -2.357 1.00 14.41 C ATOM 13 C LYS A 2 -0.399 -3.349 -3.321 1.00 73.20 C ATOM 14 O LYS A 2 -1.547 -3.170 -2.914 1.00 75.21 O ATOM 15 CB LYS A 2 0.612 -4.429 -1.304 1.00 62.54 C ATOM 16 CG LYS A 2 -0.452 -4.117 -0.266 1.00 63.13 C ATOM 17 CD LYS A 2 -0.596 -5.245 0.741 1.00 21.32 C ATOM 18 CE LYS A 2 -1.148 -6.505 0.092 1.00 65.31 C ATOM 19 NZ LYS A 2 -0.125 -7.586 0.022 1.00 75.13 N ATOM 0 HA LYS A 2 1.695 -3.520 -2.924 1.00 14.41 H new ATOM 0 HB2 LYS A 2 0.357 -5.364 -1.804 1.00 62.54 H new ATOM 0 HB3 LYS A 2 1.565 -4.587 -0.799 1.00 62.54 H new ATOM 0 HG2 LYS A 2 -0.195 -3.194 0.254 1.00 63.13 H new ATOM 0 HG3 LYS A 2 -1.407 -3.947 -0.763 1.00 63.13 H new ATOM 0 HD2 LYS A 2 0.374 -5.460 1.189 1.00 21.32 H new ATOM 0 HD3 LYS A 2 -1.257 -4.931 1.549 1.00 21.32 H new ATOM 0 HE2 LYS A 2 -2.011 -6.857 0.658 1.00 65.31 H new ATOM 0 HE3 LYS A 2 -1.500 -6.272 -0.913 1.00 65.31 H new ATOM 0 HZ1 LYS A 2 -0.540 -8.428 -0.426 1.00 75.13 H new ATOM 0 HZ2 LYS A 2 0.687 -7.259 -0.539 1.00 75.13 H new ATOM 0 HZ3 LYS A 2 0.192 -7.826 0.983 1.00 75.13 H new ATOM 33 N TYR A 3 -0.111 -3.567 -4.599 1.00 62.32 N ATOM 34 CA TYR A 3 -1.150 -3.607 -5.621 1.00 60.42 C ATOM 35 C TYR A 3 -1.323 -5.021 -6.167 1.00 61.50 C ATOM 36 O TYR A 3 -0.347 -5.698 -6.495 1.00 13.30 O ATOM 37 CB TYR A 3 -0.810 -2.646 -6.762 1.00 32.43 C ATOM 38 CG TYR A 3 -0.890 -1.188 -6.369 1.00 60.52 C ATOM 39 CD1 TYR A 3 -2.094 -0.621 -5.970 1.00 20.44 C ATOM 40 CD2 TYR A 3 0.238 -0.378 -6.399 1.00 11.22 C ATOM 41 CE1 TYR A 3 -2.172 0.710 -5.611 1.00 1.44 C ATOM 42 CE2 TYR A 3 0.170 0.954 -6.040 1.00 54.52 C ATOM 43 CZ TYR A 3 -1.037 1.494 -5.647 1.00 74.01 C ATOM 44 OH TYR A 3 -1.110 2.821 -5.291 1.00 1.15 O ATOM 0 H TYR A 3 0.834 -3.719 -4.952 1.00 62.32 H new ATOM 0 HA TYR A 3 -2.088 -3.297 -5.161 1.00 60.42 H new ATOM 0 HB2 TYR A 3 0.196 -2.862 -7.121 1.00 32.43 H new ATOM 0 HB3 TYR A 3 -1.491 -2.827 -7.594 1.00 32.43 H new ATOM 0 HD1 TYR A 3 -2.984 -1.232 -5.940 1.00 20.44 H new ATOM 0 HD2 TYR A 3 1.184 -0.797 -6.708 1.00 11.22 H new ATOM 0 HE1 TYR A 3 -3.116 1.135 -5.304 1.00 1.44 H new ATOM 0 HE2 TYR A 3 1.057 1.569 -6.067 1.00 54.52 H new ATOM 0 HH TYR A 3 -0.223 3.230 -5.370 1.00 1.15 H new ATOM 54 N THR A 4 -2.573 -5.463 -6.263 1.00 32.24 N ATOM 55 CA THR A 4 -2.876 -6.796 -6.768 1.00 34.22 C ATOM 56 C THR A 4 -3.492 -6.729 -8.161 1.00 20.32 C ATOM 57 O THR A 4 -4.447 -5.989 -8.393 1.00 61.33 O ATOM 58 CB THR A 4 -3.839 -7.547 -5.829 1.00 33.20 C ATOM 59 OG1 THR A 4 -4.138 -8.840 -6.366 1.00 75.35 O ATOM 60 CG2 THR A 4 -5.128 -6.762 -5.635 1.00 70.50 C ATOM 0 H THR A 4 -3.392 -4.917 -5.997 1.00 32.24 H new ATOM 0 HA THR A 4 -1.931 -7.338 -6.817 1.00 34.22 H new ATOM 0 HB THR A 4 -3.352 -7.660 -4.860 1.00 33.20 H new ATOM 0 HG1 THR A 4 -4.749 -9.312 -5.762 1.00 75.35 H new ATOM 0 HG21 THR A 4 -5.792 -7.312 -4.968 1.00 70.50 H new ATOM 0 HG22 THR A 4 -4.900 -5.790 -5.199 1.00 70.50 H new ATOM 0 HG23 THR A 4 -5.617 -6.621 -6.599 1.00 70.50 H new ATOM 68 N GLY A 5 -2.939 -7.508 -9.085 1.00 63.54 N ATOM 69 CA GLY A 5 -3.447 -7.523 -10.445 1.00 14.35 C ATOM 70 C GLY A 5 -3.484 -8.918 -11.035 1.00 62.24 C ATOM 71 O GLY A 5 -2.810 -9.826 -10.546 1.00 55.45 O ATOM 0 H GLY A 5 -2.148 -8.129 -8.916 1.00 63.54 H new ATOM 0 HA2 GLY A 5 -4.451 -7.099 -10.459 1.00 14.35 H new ATOM 0 HA3 GLY A 5 -2.823 -6.884 -11.070 1.00 14.35 H new ATOM 75 N LYS A 6 -4.273 -9.092 -12.090 1.00 34.13 N ATOM 76 CA LYS A 6 -4.396 -10.387 -12.749 1.00 14.12 C ATOM 77 C LYS A 6 -3.872 -10.321 -14.180 1.00 21.14 C ATOM 78 O LYS A 6 -4.022 -9.306 -14.861 1.00 23.14 O ATOM 79 CB LYS A 6 -5.857 -10.845 -12.750 1.00 43.22 C ATOM 80 CG LYS A 6 -6.495 -10.846 -11.372 1.00 51.10 C ATOM 81 CD LYS A 6 -7.554 -9.763 -11.247 1.00 63.10 C ATOM 82 CE LYS A 6 -8.924 -10.272 -11.668 1.00 42.25 C ATOM 83 NZ LYS A 6 -9.889 -10.269 -10.535 1.00 14.12 N ATOM 0 H LYS A 6 -4.837 -8.352 -12.507 1.00 34.13 H new ATOM 0 HA LYS A 6 -3.796 -11.108 -12.194 1.00 14.12 H new ATOM 0 HB2 LYS A 6 -6.433 -10.193 -13.407 1.00 43.22 H new ATOM 0 HB3 LYS A 6 -5.914 -11.850 -13.168 1.00 43.22 H new ATOM 0 HG2 LYS A 6 -6.945 -11.820 -11.179 1.00 51.10 H new ATOM 0 HG3 LYS A 6 -5.727 -10.694 -10.614 1.00 51.10 H new ATOM 0 HD2 LYS A 6 -7.596 -9.411 -10.216 1.00 63.10 H new ATOM 0 HD3 LYS A 6 -7.277 -8.908 -11.864 1.00 63.10 H new ATOM 0 HE2 LYS A 6 -9.310 -9.650 -12.475 1.00 42.25 H new ATOM 0 HE3 LYS A 6 -8.830 -11.284 -12.062 1.00 42.25 H new ATOM 0 HZ1 LYS A 6 -10.810 -10.623 -10.863 1.00 14.12 H new ATOM 0 HZ2 LYS A 6 -9.533 -10.883 -9.774 1.00 14.12 H new ATOM 0 HZ3 LYS A 6 -9.999 -9.300 -10.175 1.00 14.12 H new ATOM 97 N CYS A 7 -3.258 -11.410 -14.630 1.00 42.25 N ATOM 98 CA CYS A 7 -2.712 -11.477 -15.981 1.00 1.24 C ATOM 99 C CYS A 7 -3.292 -12.664 -16.744 1.00 22.34 C ATOM 100 O CYS A 7 -3.860 -13.581 -16.150 1.00 20.44 O ATOM 101 CB CYS A 7 -1.186 -11.584 -15.932 1.00 15.42 C ATOM 102 SG CYS A 7 -0.568 -13.274 -15.651 1.00 12.13 S ATOM 0 H CYS A 7 -3.126 -12.258 -14.079 1.00 42.25 H new ATOM 0 HA CYS A 7 -2.989 -10.562 -16.504 1.00 1.24 H new ATOM 0 HB2 CYS A 7 -0.776 -11.210 -16.870 1.00 15.42 H new ATOM 0 HB3 CYS A 7 -0.812 -10.935 -15.140 1.00 15.42 H new ATOM 107 N THR A 8 -3.144 -12.641 -18.065 1.00 33.14 N ATOM 108 CA THR A 8 -3.653 -13.714 -18.910 1.00 13.05 C ATOM 109 C THR A 8 -2.513 -14.529 -19.510 1.00 35.14 C ATOM 110 O THR A 8 -1.417 -14.014 -19.732 1.00 35.05 O ATOM 111 CB THR A 8 -4.531 -13.163 -20.049 1.00 61.23 C ATOM 112 OG1 THR A 8 -4.390 -11.741 -20.132 1.00 51.43 O ATOM 113 CG2 THR A 8 -5.993 -13.521 -19.828 1.00 63.22 C ATOM 0 H THR A 8 -2.676 -11.891 -18.573 1.00 33.14 H new ATOM 0 HA THR A 8 -4.260 -14.358 -18.273 1.00 13.05 H new ATOM 0 HB THR A 8 -4.200 -13.616 -20.984 1.00 61.23 H new ATOM 0 HG1 THR A 8 -5.063 -11.381 -20.746 1.00 51.43 H new ATOM 0 HG21 THR A 8 -6.593 -13.121 -20.645 1.00 63.22 H new ATOM 0 HG22 THR A 8 -6.101 -14.605 -19.795 1.00 63.22 H new ATOM 0 HG23 THR A 8 -6.334 -13.094 -18.885 1.00 63.22 H new ATOM 121 N LYS A 9 -2.778 -15.805 -19.771 1.00 54.42 N ATOM 122 CA LYS A 9 -1.776 -16.692 -20.348 1.00 24.10 C ATOM 123 C LYS A 9 -1.609 -16.428 -21.841 1.00 53.20 C ATOM 124 O LYS A 9 -0.558 -16.707 -22.417 1.00 60.22 O ATOM 125 CB LYS A 9 -2.166 -18.154 -20.118 1.00 41.15 C ATOM 126 CG LYS A 9 -1.206 -19.146 -20.751 1.00 61.43 C ATOM 127 CD LYS A 9 -1.787 -20.550 -20.770 1.00 31.22 C ATOM 128 CE LYS A 9 -0.701 -21.601 -20.939 1.00 63.13 C ATOM 129 NZ LYS A 9 -1.196 -22.968 -20.617 1.00 1.15 N ATOM 0 H LYS A 9 -3.679 -16.248 -19.592 1.00 54.42 H new ATOM 0 HA LYS A 9 -0.825 -16.494 -19.854 1.00 24.10 H new ATOM 0 HB2 LYS A 9 -2.216 -18.344 -19.046 1.00 41.15 H new ATOM 0 HB3 LYS A 9 -3.166 -18.322 -20.519 1.00 41.15 H new ATOM 0 HG2 LYS A 9 -0.977 -18.832 -21.769 1.00 61.43 H new ATOM 0 HG3 LYS A 9 -0.266 -19.148 -20.199 1.00 61.43 H new ATOM 0 HD2 LYS A 9 -2.330 -20.733 -19.843 1.00 31.22 H new ATOM 0 HD3 LYS A 9 -2.507 -20.636 -21.584 1.00 31.22 H new ATOM 0 HE2 LYS A 9 -0.333 -21.581 -21.965 1.00 63.13 H new ATOM 0 HE3 LYS A 9 0.142 -21.359 -20.292 1.00 63.13 H new ATOM 0 HZ1 LYS A 9 -0.426 -23.655 -20.745 1.00 1.15 H new ATOM 0 HZ2 LYS A 9 -1.524 -22.995 -19.630 1.00 1.15 H new ATOM 0 HZ3 LYS A 9 -1.984 -23.210 -21.251 1.00 1.15 H new ATOM 143 N SER A 10 -2.653 -15.886 -22.461 1.00 63.44 N ATOM 144 CA SER A 10 -2.623 -15.586 -23.888 1.00 64.41 C ATOM 145 C SER A 10 -1.960 -14.236 -24.145 1.00 74.24 C ATOM 146 O SER A 10 -1.101 -14.109 -25.018 1.00 53.31 O ATOM 147 CB SER A 10 -4.041 -15.589 -24.461 1.00 60.15 C ATOM 148 OG SER A 10 -4.299 -16.784 -25.179 1.00 43.52 O ATOM 0 H SER A 10 -3.529 -15.646 -21.998 1.00 63.44 H new ATOM 0 HA SER A 10 -2.037 -16.359 -24.385 1.00 64.41 H new ATOM 0 HB2 SER A 10 -4.764 -15.484 -23.652 1.00 60.15 H new ATOM 0 HB3 SER A 10 -4.172 -14.730 -25.119 1.00 60.15 H new ATOM 0 HG SER A 10 -5.212 -16.762 -25.534 1.00 43.52 H new ATOM 154 N LYS A 11 -2.367 -13.230 -23.379 1.00 44.41 N ATOM 155 CA LYS A 11 -1.814 -11.888 -23.521 1.00 42.10 C ATOM 156 C LYS A 11 -0.549 -11.729 -22.683 1.00 33.11 C ATOM 157 O LYS A 11 0.223 -10.792 -22.880 1.00 21.04 O ATOM 158 CB LYS A 11 -2.849 -10.841 -23.105 1.00 12.32 C ATOM 159 CG LYS A 11 -3.454 -10.085 -24.275 1.00 51.21 C ATOM 160 CD LYS A 11 -3.004 -8.634 -24.294 1.00 43.33 C ATOM 161 CE LYS A 11 -4.082 -7.723 -24.860 1.00 52.24 C ATOM 162 NZ LYS A 11 -4.218 -7.874 -26.336 1.00 32.54 N ATOM 0 H LYS A 11 -3.078 -13.318 -22.653 1.00 44.41 H new ATOM 0 HA LYS A 11 -1.555 -11.738 -24.569 1.00 42.10 H new ATOM 0 HB2 LYS A 11 -3.647 -11.333 -22.549 1.00 12.32 H new ATOM 0 HB3 LYS A 11 -2.380 -10.128 -22.426 1.00 12.32 H new ATOM 0 HG2 LYS A 11 -3.167 -10.568 -25.209 1.00 51.21 H new ATOM 0 HG3 LYS A 11 -4.541 -10.129 -24.214 1.00 51.21 H new ATOM 0 HD2 LYS A 11 -2.753 -8.317 -23.282 1.00 43.33 H new ATOM 0 HD3 LYS A 11 -2.097 -8.541 -24.892 1.00 43.33 H new ATOM 0 HE2 LYS A 11 -5.036 -7.949 -24.383 1.00 52.24 H new ATOM 0 HE3 LYS A 11 -3.843 -6.687 -24.621 1.00 52.24 H new ATOM 0 HZ1 LYS A 11 -4.963 -7.236 -26.683 1.00 32.54 H new ATOM 0 HZ2 LYS A 11 -3.316 -7.634 -26.794 1.00 32.54 H new ATOM 0 HZ3 LYS A 11 -4.471 -8.857 -26.563 1.00 32.54 H new ATOM 176 N ASN A 12 -0.344 -12.652 -21.749 1.00 12.14 N ATOM 177 CA ASN A 12 0.828 -12.614 -20.881 1.00 74.12 C ATOM 178 C ASN A 12 1.026 -11.220 -20.295 1.00 13.41 C ATOM 179 O ASN A 12 2.155 -10.783 -20.075 1.00 70.21 O ATOM 180 CB ASN A 12 2.077 -13.035 -21.658 1.00 73.11 C ATOM 181 CG ASN A 12 2.916 -14.045 -20.900 1.00 21.12 C ATOM 182 OD1 ASN A 12 2.438 -15.122 -20.541 1.00 44.43 O ATOM 183 ND2 ASN A 12 4.175 -13.701 -20.652 1.00 35.13 N ATOM 0 H ASN A 12 -0.974 -13.435 -21.574 1.00 12.14 H new ATOM 0 HA ASN A 12 0.665 -13.313 -20.061 1.00 74.12 H new ATOM 0 HB2 ASN A 12 1.779 -13.460 -22.616 1.00 73.11 H new ATOM 0 HB3 ASN A 12 2.681 -12.154 -21.874 1.00 73.11 H new ATOM 0 HD21 ASN A 12 4.788 -14.340 -20.145 1.00 35.13 H new ATOM 0 HD22 ASN A 12 4.529 -12.798 -20.968 1.00 35.13 H new ATOM 190 N GLU A 13 -0.081 -10.527 -20.044 1.00 4.52 N ATOM 191 CA GLU A 13 -0.028 -9.181 -19.483 1.00 62.51 C ATOM 192 C GLU A 13 -0.903 -9.077 -18.237 1.00 42.43 C ATOM 193 O GLU A 13 -2.032 -9.568 -18.214 1.00 43.24 O ATOM 194 CB GLU A 13 -0.477 -8.153 -20.523 1.00 71.34 C ATOM 195 CG GLU A 13 -0.991 -6.858 -19.917 1.00 23.32 C ATOM 196 CD GLU A 13 -2.498 -6.847 -19.755 1.00 74.42 C ATOM 197 OE1 GLU A 13 -3.198 -6.499 -20.729 1.00 45.51 O ATOM 198 OE2 GLU A 13 -2.979 -7.188 -18.654 1.00 22.50 O ATOM 0 H GLU A 13 -1.024 -10.874 -20.220 1.00 4.52 H new ATOM 0 HA GLU A 13 1.004 -8.973 -19.200 1.00 62.51 H new ATOM 0 HB2 GLU A 13 0.360 -7.928 -21.184 1.00 71.34 H new ATOM 0 HB3 GLU A 13 -1.261 -8.592 -21.140 1.00 71.34 H new ATOM 0 HG2 GLU A 13 -0.524 -6.706 -18.944 1.00 23.32 H new ATOM 0 HG3 GLU A 13 -0.691 -6.022 -20.549 1.00 23.32 H new ATOM 205 N CYS A 14 -0.373 -8.433 -17.202 1.00 74.31 N ATOM 206 CA CYS A 14 -1.104 -8.264 -15.952 1.00 4.22 C ATOM 207 C CYS A 14 -1.856 -6.936 -15.937 1.00 73.41 C ATOM 208 O CYS A 14 -1.605 -6.058 -16.762 1.00 3.30 O ATOM 209 CB CYS A 14 -0.143 -8.331 -14.763 1.00 31.12 C ATOM 210 SG CYS A 14 -0.900 -8.961 -13.230 1.00 70.43 S ATOM 0 H CYS A 14 0.560 -8.020 -17.205 1.00 74.31 H new ATOM 0 HA CYS A 14 -1.829 -9.074 -15.872 1.00 4.22 H new ATOM 0 HB2 CYS A 14 0.701 -8.968 -15.027 1.00 31.12 H new ATOM 0 HB3 CYS A 14 0.256 -7.334 -14.576 1.00 31.12 H new ATOM 215 N LYS A 15 -2.781 -6.798 -14.993 1.00 54.34 N ATOM 216 CA LYS A 15 -3.571 -5.578 -14.869 1.00 23.25 C ATOM 217 C LYS A 15 -3.925 -5.307 -13.410 1.00 53.40 C ATOM 218 O LYS A 15 -4.539 -6.141 -12.745 1.00 13.03 O ATOM 219 CB LYS A 15 -4.849 -5.686 -15.704 1.00 3.54 C ATOM 220 CG LYS A 15 -5.717 -4.441 -15.649 1.00 51.44 C ATOM 221 CD LYS A 15 -6.717 -4.507 -14.507 1.00 62.41 C ATOM 222 CE LYS A 15 -8.108 -4.869 -15.004 1.00 61.33 C ATOM 223 NZ LYS A 15 -9.171 -4.386 -14.080 1.00 4.41 N ATOM 0 H LYS A 15 -3.002 -7.516 -14.303 1.00 54.34 H new ATOM 0 HA LYS A 15 -2.972 -4.747 -15.240 1.00 23.25 H new ATOM 0 HB2 LYS A 15 -4.580 -5.886 -16.741 1.00 3.54 H new ATOM 0 HB3 LYS A 15 -5.430 -6.540 -15.355 1.00 3.54 H new ATOM 0 HG2 LYS A 15 -5.085 -3.561 -15.530 1.00 51.44 H new ATOM 0 HG3 LYS A 15 -6.249 -4.326 -16.593 1.00 51.44 H new ATOM 0 HD2 LYS A 15 -6.387 -5.245 -13.776 1.00 62.41 H new ATOM 0 HD3 LYS A 15 -6.751 -3.545 -13.996 1.00 62.41 H new ATOM 0 HE2 LYS A 15 -8.264 -4.438 -15.993 1.00 61.33 H new ATOM 0 HE3 LYS A 15 -8.185 -5.951 -15.112 1.00 61.33 H new ATOM 0 HZ1 LYS A 15 -10.104 -4.653 -14.454 1.00 4.41 H new ATOM 0 HZ2 LYS A 15 -9.038 -4.817 -13.143 1.00 4.41 H new ATOM 0 HZ3 LYS A 15 -9.114 -3.351 -13.997 1.00 4.41 H new ATOM 237 N TYR A 16 -3.536 -4.135 -12.920 1.00 13.12 N ATOM 238 CA TYR A 16 -3.812 -3.754 -11.540 1.00 35.13 C ATOM 239 C TYR A 16 -4.239 -2.292 -11.453 1.00 3.20 C ATOM 240 O TYR A 16 -4.035 -1.516 -12.387 1.00 65.21 O ATOM 241 CB TYR A 16 -2.579 -3.990 -10.667 1.00 3.11 C ATOM 242 CG TYR A 16 -1.437 -3.045 -10.964 1.00 42.44 C ATOM 243 CD1 TYR A 16 -1.342 -1.815 -10.323 1.00 62.53 C ATOM 244 CD2 TYR A 16 -0.454 -3.380 -11.887 1.00 44.31 C ATOM 245 CE1 TYR A 16 -0.301 -0.948 -10.592 1.00 63.13 C ATOM 246 CE2 TYR A 16 0.592 -2.519 -12.161 1.00 73.33 C ATOM 247 CZ TYR A 16 0.664 -1.305 -11.512 1.00 13.34 C ATOM 248 OH TYR A 16 1.703 -0.444 -11.783 1.00 73.30 O ATOM 0 H TYR A 16 -3.029 -3.433 -13.458 1.00 13.12 H new ATOM 0 HA TYR A 16 -4.631 -4.375 -11.176 1.00 35.13 H new ATOM 0 HB2 TYR A 16 -2.861 -3.888 -9.619 1.00 3.11 H new ATOM 0 HB3 TYR A 16 -2.237 -5.015 -10.806 1.00 3.11 H new ATOM 0 HD1 TYR A 16 -2.095 -1.533 -9.602 1.00 62.53 H new ATOM 0 HD2 TYR A 16 -0.508 -4.329 -12.399 1.00 44.31 H new ATOM 0 HE1 TYR A 16 -0.242 0.004 -10.085 1.00 63.13 H new ATOM 0 HE2 TYR A 16 1.349 -2.796 -12.880 1.00 73.33 H new ATOM 0 HH TYR A 16 2.295 -0.846 -12.452 1.00 73.30 H new ATOM 258 N LYS A 17 -4.832 -1.922 -10.323 1.00 52.43 N ATOM 259 CA LYS A 17 -5.287 -0.553 -10.110 1.00 42.43 C ATOM 260 C LYS A 17 -4.260 0.243 -9.311 1.00 13.34 C ATOM 261 O LYS A 17 -3.858 -0.163 -8.222 1.00 24.34 O ATOM 262 CB LYS A 17 -6.632 -0.548 -9.381 1.00 52.21 C ATOM 263 CG LYS A 17 -7.820 -0.792 -10.295 1.00 54.23 C ATOM 264 CD LYS A 17 -9.105 -0.972 -9.504 1.00 60.41 C ATOM 265 CE LYS A 17 -9.978 -2.066 -10.100 1.00 63.22 C ATOM 266 NZ LYS A 17 -11.415 -1.876 -9.760 1.00 51.24 N ATOM 0 H LYS A 17 -5.009 -2.551 -9.540 1.00 52.43 H new ATOM 0 HA LYS A 17 -5.408 -0.081 -11.085 1.00 42.43 H new ATOM 0 HB2 LYS A 17 -6.618 -1.313 -8.605 1.00 52.21 H new ATOM 0 HB3 LYS A 17 -6.761 0.411 -8.880 1.00 52.21 H new ATOM 0 HG2 LYS A 17 -7.929 0.047 -10.983 1.00 54.23 H new ATOM 0 HG3 LYS A 17 -7.638 -1.679 -10.901 1.00 54.23 H new ATOM 0 HD2 LYS A 17 -8.865 -1.219 -8.470 1.00 60.41 H new ATOM 0 HD3 LYS A 17 -9.658 -0.033 -9.487 1.00 60.41 H new ATOM 0 HE2 LYS A 17 -9.859 -2.075 -11.183 1.00 63.22 H new ATOM 0 HE3 LYS A 17 -9.644 -3.037 -9.734 1.00 63.22 H new ATOM 0 HZ1 LYS A 17 -11.976 -2.642 -10.185 1.00 51.24 H new ATOM 0 HZ2 LYS A 17 -11.532 -1.893 -8.727 1.00 51.24 H new ATOM 0 HZ3 LYS A 17 -11.741 -0.961 -10.131 1.00 51.24 H new ATOM 280 N ASN A 18 -3.842 1.380 -9.858 1.00 74.02 N ATOM 281 CA ASN A 18 -2.863 2.233 -9.195 1.00 14.44 C ATOM 282 C ASN A 18 -3.509 3.020 -8.058 1.00 31.11 C ATOM 283 O ASN A 18 -4.677 2.809 -7.729 1.00 5.45 O ATOM 284 CB ASN A 18 -2.230 3.196 -10.201 1.00 13.51 C ATOM 285 CG ASN A 18 -3.076 4.435 -10.426 1.00 43.14 C ATOM 286 OD1 ASN A 18 -2.705 5.536 -10.018 1.00 33.20 O ATOM 287 ND2 ASN A 18 -4.219 4.260 -11.079 1.00 43.24 N ATOM 0 H ASN A 18 -4.166 1.732 -10.759 1.00 74.02 H new ATOM 0 HA ASN A 18 -2.086 1.594 -8.776 1.00 14.44 H new ATOM 0 HB2 ASN A 18 -1.243 3.493 -9.845 1.00 13.51 H new ATOM 0 HB3 ASN A 18 -2.084 2.681 -11.151 1.00 13.51 H new ATOM 0 HD21 ASN A 18 -4.830 5.057 -11.261 1.00 43.24 H new ATOM 0 HD22 ASN A 18 -4.486 3.329 -11.399 1.00 43.24 H new ATOM 294 N ASP A 19 -2.742 3.927 -7.463 1.00 21.40 N ATOM 295 CA ASP A 19 -3.239 4.746 -6.364 1.00 40.41 C ATOM 296 C ASP A 19 -4.495 5.507 -6.778 1.00 70.34 C ATOM 297 O ASP A 19 -5.419 5.679 -5.984 1.00 24.14 O ATOM 298 CB ASP A 19 -2.161 5.729 -5.905 1.00 10.51 C ATOM 299 CG ASP A 19 -2.708 6.797 -4.978 1.00 11.20 C ATOM 300 OD1 ASP A 19 -3.360 6.436 -3.976 1.00 34.01 O ATOM 301 OD2 ASP A 19 -2.483 7.994 -5.254 1.00 73.11 O ATOM 0 H ASP A 19 -1.774 4.114 -7.723 1.00 21.40 H new ATOM 0 HA ASP A 19 -3.493 4.084 -5.536 1.00 40.41 H new ATOM 0 HB2 ASP A 19 -1.368 5.182 -5.396 1.00 10.51 H new ATOM 0 HB3 ASP A 19 -1.712 6.204 -6.777 1.00 10.51 H new ATOM 306 N ALA A 20 -4.521 5.960 -8.027 1.00 52.13 N ATOM 307 CA ALA A 20 -5.664 6.701 -8.547 1.00 43.03 C ATOM 308 C ALA A 20 -6.861 5.782 -8.764 1.00 14.35 C ATOM 309 O ALA A 20 -7.968 6.244 -9.039 1.00 32.50 O ATOM 310 CB ALA A 20 -5.292 7.401 -9.846 1.00 0.31 C ATOM 0 H ALA A 20 -3.764 5.827 -8.697 1.00 52.13 H new ATOM 0 HA ALA A 20 -5.945 7.452 -7.809 1.00 43.03 H new ATOM 0 HB1 ALA A 20 -6.155 7.950 -10.223 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -4.471 8.095 -9.663 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -4.983 6.660 -10.583 1.00 0.31 H new ATOM 316 N GLY A 21 -6.632 4.479 -8.637 1.00 71.44 N ATOM 317 CA GLY A 21 -7.702 3.516 -8.823 1.00 61.24 C ATOM 318 C GLY A 21 -7.933 3.181 -10.283 1.00 62.55 C ATOM 319 O GLY A 21 -8.754 2.323 -10.609 1.00 62.23 O ATOM 0 H GLY A 21 -5.725 4.073 -8.409 1.00 71.44 H new ATOM 0 HA2 GLY A 21 -7.464 2.603 -8.277 1.00 61.24 H new ATOM 0 HA3 GLY A 21 -8.622 3.913 -8.394 1.00 61.24 H new ATOM 323 N LYS A 22 -7.208 3.859 -11.166 1.00 54.45 N ATOM 324 CA LYS A 22 -7.338 3.630 -12.601 1.00 5.24 C ATOM 325 C LYS A 22 -6.745 2.280 -12.991 1.00 73.04 C ATOM 326 O LYS A 22 -5.672 1.902 -12.520 1.00 55.32 O ATOM 327 CB LYS A 22 -6.643 4.749 -13.381 1.00 74.32 C ATOM 328 CG LYS A 22 -7.165 6.136 -13.050 1.00 54.00 C ATOM 329 CD LYS A 22 -6.158 7.213 -13.417 1.00 12.03 C ATOM 330 CE LYS A 22 -6.094 7.427 -14.921 1.00 62.12 C ATOM 331 NZ LYS A 22 -5.634 8.800 -15.267 1.00 50.50 N ATOM 0 H LYS A 22 -6.524 4.572 -10.913 1.00 54.45 H new ATOM 0 HA LYS A 22 -8.399 3.627 -12.850 1.00 5.24 H new ATOM 0 HB2 LYS A 22 -5.573 4.714 -13.175 1.00 74.32 H new ATOM 0 HB3 LYS A 22 -6.768 4.568 -14.449 1.00 74.32 H new ATOM 0 HG2 LYS A 22 -8.098 6.312 -13.585 1.00 54.00 H new ATOM 0 HG3 LYS A 22 -7.392 6.196 -11.986 1.00 54.00 H new ATOM 0 HD2 LYS A 22 -6.429 8.148 -12.927 1.00 12.03 H new ATOM 0 HD3 LYS A 22 -5.172 6.932 -13.046 1.00 12.03 H new ATOM 0 HE2 LYS A 22 -5.418 6.695 -15.363 1.00 62.12 H new ATOM 0 HE3 LYS A 22 -7.079 7.254 -15.355 1.00 62.12 H new ATOM 0 HZ1 LYS A 22 -5.604 8.906 -16.301 1.00 50.50 H new ATOM 0 HZ2 LYS A 22 -6.293 9.498 -14.867 1.00 50.50 H new ATOM 0 HZ3 LYS A 22 -4.683 8.957 -14.875 1.00 50.50 H new ATOM 345 N ASP A 23 -7.450 1.558 -13.856 1.00 1.02 N ATOM 346 CA ASP A 23 -6.992 0.251 -14.312 1.00 33.30 C ATOM 347 C ASP A 23 -5.741 0.384 -15.175 1.00 75.51 C ATOM 348 O ASP A 23 -5.755 1.053 -16.209 1.00 21.12 O ATOM 349 CB ASP A 23 -8.098 -0.454 -15.099 1.00 61.24 C ATOM 350 CG ASP A 23 -8.537 0.337 -16.315 1.00 53.35 C ATOM 351 OD1 ASP A 23 -9.157 1.406 -16.135 1.00 2.30 O ATOM 352 OD2 ASP A 23 -8.262 -0.113 -17.448 1.00 14.32 O ATOM 0 H ASP A 23 -8.340 1.856 -14.255 1.00 1.02 H new ATOM 0 HA ASP A 23 -6.744 -0.346 -13.435 1.00 33.30 H new ATOM 0 HB2 ASP A 23 -7.746 -1.436 -15.416 1.00 61.24 H new ATOM 0 HB3 ASP A 23 -8.956 -0.618 -14.447 1.00 61.24 H new ATOM 357 N THR A 24 -4.660 -0.258 -14.744 1.00 2.14 N ATOM 358 CA THR A 24 -3.400 -0.210 -15.475 1.00 12.20 C ATOM 359 C THR A 24 -2.934 -1.609 -15.860 1.00 73.22 C ATOM 360 O THR A 24 -2.796 -2.485 -15.006 1.00 64.23 O ATOM 361 CB THR A 24 -2.297 0.477 -14.648 1.00 65.05 C ATOM 362 OG1 THR A 24 -2.802 1.681 -14.062 1.00 2.44 O ATOM 363 CG2 THR A 24 -1.090 0.798 -15.518 1.00 21.34 C ATOM 0 H THR A 24 -4.632 -0.818 -13.892 1.00 2.14 H new ATOM 0 HA THR A 24 -3.581 0.371 -16.379 1.00 12.20 H new ATOM 0 HB THR A 24 -1.985 -0.207 -13.859 1.00 65.05 H new ATOM 0 HG1 THR A 24 -2.095 2.111 -13.537 1.00 2.44 H new ATOM 0 HG21 THR A 24 -0.324 1.283 -14.913 1.00 21.34 H new ATOM 0 HG22 THR A 24 -0.690 -0.124 -15.940 1.00 21.34 H new ATOM 0 HG23 THR A 24 -1.391 1.466 -16.325 1.00 21.34 H new ATOM 371 N PHE A 25 -2.693 -1.813 -17.151 1.00 72.01 N ATOM 372 CA PHE A 25 -2.243 -3.107 -17.650 1.00 23.34 C ATOM 373 C PHE A 25 -0.805 -3.026 -18.153 1.00 44.51 C ATOM 374 O PHE A 25 -0.463 -2.149 -18.947 1.00 41.51 O ATOM 375 CB PHE A 25 -3.161 -3.593 -18.773 1.00 14.04 C ATOM 376 CG PHE A 25 -3.494 -2.528 -19.778 1.00 45.13 C ATOM 377 CD1 PHE A 25 -2.653 -2.284 -20.852 1.00 63.33 C ATOM 378 CD2 PHE A 25 -4.647 -1.771 -19.650 1.00 2.21 C ATOM 379 CE1 PHE A 25 -2.956 -1.304 -21.778 1.00 63.25 C ATOM 380 CE2 PHE A 25 -4.955 -0.790 -20.573 1.00 52.43 C ATOM 381 CZ PHE A 25 -4.109 -0.557 -21.640 1.00 1.14 C ATOM 0 H PHE A 25 -2.802 -1.098 -17.871 1.00 72.01 H new ATOM 0 HA PHE A 25 -2.282 -3.819 -16.825 1.00 23.34 H new ATOM 0 HB2 PHE A 25 -2.684 -4.428 -19.285 1.00 14.04 H new ATOM 0 HB3 PHE A 25 -4.085 -3.972 -18.337 1.00 14.04 H new ATOM 0 HD1 PHE A 25 -1.751 -2.866 -20.967 1.00 63.33 H new ATOM 0 HD2 PHE A 25 -5.313 -1.950 -18.819 1.00 2.21 H new ATOM 0 HE1 PHE A 25 -2.291 -1.122 -22.609 1.00 63.25 H new ATOM 0 HE2 PHE A 25 -5.856 -0.206 -20.460 1.00 52.43 H new ATOM 0 HZ PHE A 25 -4.349 0.207 -22.364 1.00 1.14 H new ATOM 391 N ILE A 26 0.033 -3.945 -17.685 1.00 51.22 N ATOM 392 CA ILE A 26 1.433 -3.977 -18.088 1.00 23.41 C ATOM 393 C ILE A 26 1.863 -5.390 -18.470 1.00 12.22 C ATOM 394 O ILE A 26 1.427 -6.369 -17.864 1.00 12.23 O ATOM 395 CB ILE A 26 2.354 -3.458 -16.967 1.00 74.43 C ATOM 396 CG1 ILE A 26 3.765 -3.219 -17.507 1.00 23.14 C ATOM 397 CG2 ILE A 26 2.384 -4.443 -15.808 1.00 35.21 C ATOM 398 CD1 ILE A 26 4.299 -1.835 -17.209 1.00 61.35 C ATOM 0 H ILE A 26 -0.233 -4.677 -17.027 1.00 51.22 H new ATOM 0 HA ILE A 26 1.526 -3.324 -18.956 1.00 23.41 H new ATOM 0 HB ILE A 26 1.960 -2.510 -16.602 1.00 74.43 H new ATOM 0 HG12 ILE A 26 4.440 -3.960 -17.079 1.00 23.14 H new ATOM 0 HG13 ILE A 26 3.764 -3.375 -18.586 1.00 23.14 H new ATOM 0 HG21 ILE A 26 3.039 -4.063 -15.024 1.00 35.21 H new ATOM 0 HG22 ILE A 26 1.377 -4.568 -15.411 1.00 35.21 H new ATOM 0 HG23 ILE A 26 2.758 -5.405 -16.158 1.00 35.21 H new ATOM 0 HD11 ILE A 26 5.303 -1.736 -17.621 1.00 61.35 H new ATOM 0 HD12 ILE A 26 3.646 -1.088 -17.661 1.00 61.35 H new ATOM 0 HD13 ILE A 26 4.333 -1.682 -16.130 1.00 61.35 H new ATOM 410 N LYS A 27 2.722 -5.489 -19.478 1.00 43.42 N ATOM 411 CA LYS A 27 3.215 -6.781 -19.941 1.00 11.34 C ATOM 412 C LYS A 27 4.059 -7.458 -18.865 1.00 41.45 C ATOM 413 O LYS A 27 4.727 -6.791 -18.074 1.00 55.53 O ATOM 414 CB LYS A 27 4.040 -6.608 -21.218 1.00 12.20 C ATOM 415 CG LYS A 27 5.022 -5.451 -21.156 1.00 23.13 C ATOM 416 CD LYS A 27 4.551 -4.273 -21.992 1.00 32.30 C ATOM 417 CE LYS A 27 5.590 -3.163 -22.026 1.00 54.24 C ATOM 418 NZ LYS A 27 5.634 -2.486 -23.352 1.00 13.41 N ATOM 0 H LYS A 27 3.092 -4.689 -19.991 1.00 43.42 H new ATOM 0 HA LYS A 27 2.354 -7.415 -20.156 1.00 11.34 H new ATOM 0 HB2 LYS A 27 4.589 -7.529 -21.413 1.00 12.20 H new ATOM 0 HB3 LYS A 27 3.364 -6.455 -22.059 1.00 12.20 H new ATOM 0 HG2 LYS A 27 5.149 -5.136 -20.120 1.00 23.13 H new ATOM 0 HG3 LYS A 27 5.998 -5.782 -21.510 1.00 23.13 H new ATOM 0 HD2 LYS A 27 4.341 -4.607 -23.008 1.00 32.30 H new ATOM 0 HD3 LYS A 27 3.617 -3.886 -21.584 1.00 32.30 H new ATOM 0 HE2 LYS A 27 5.364 -2.430 -21.251 1.00 54.24 H new ATOM 0 HE3 LYS A 27 6.572 -3.577 -21.797 1.00 54.24 H new ATOM 0 HZ1 LYS A 27 6.354 -1.736 -23.335 1.00 13.41 H new ATOM 0 HZ2 LYS A 27 5.874 -3.180 -24.088 1.00 13.41 H new ATOM 0 HZ3 LYS A 27 4.704 -2.069 -23.560 1.00 13.41 H new ATOM 432 N CYS A 28 4.026 -8.786 -18.843 1.00 44.21 N ATOM 433 CA CYS A 28 4.789 -9.554 -17.866 1.00 40.42 C ATOM 434 C CYS A 28 6.067 -10.109 -18.489 1.00 33.44 C ATOM 435 O CYS A 28 6.201 -10.206 -19.709 1.00 5.24 O ATOM 436 CB CYS A 28 3.940 -10.698 -17.311 1.00 35.35 C ATOM 437 SG CYS A 28 3.014 -10.272 -15.800 1.00 62.32 S ATOM 0 H CYS A 28 3.479 -9.353 -19.491 1.00 44.21 H new ATOM 0 HA CYS A 28 5.064 -8.886 -17.050 1.00 40.42 H new ATOM 0 HB2 CYS A 28 3.235 -11.018 -18.078 1.00 35.35 H new ATOM 0 HB3 CYS A 28 4.589 -11.548 -17.099 1.00 35.35 H new ATOM 442 N PRO A 29 7.028 -10.484 -17.631 1.00 73.44 N ATOM 443 CA PRO A 29 8.311 -11.038 -18.074 1.00 1.33 C ATOM 444 C PRO A 29 8.165 -12.432 -18.673 1.00 65.21 C ATOM 445 O PRO A 29 7.454 -13.280 -18.134 1.00 12.00 O ATOM 446 CB PRO A 29 9.136 -11.093 -16.786 1.00 4.24 C ATOM 447 CG PRO A 29 8.128 -11.183 -15.693 1.00 73.20 C ATOM 448 CD PRO A 29 6.935 -10.398 -16.164 1.00 43.43 C ATOM 0 HA PRO A 29 8.764 -10.437 -18.862 1.00 1.33 H new ATOM 0 HB2 PRO A 29 9.804 -11.954 -16.780 1.00 4.24 H new ATOM 0 HB3 PRO A 29 9.760 -10.206 -16.677 1.00 4.24 H new ATOM 0 HG2 PRO A 29 7.859 -12.221 -15.495 1.00 73.20 H new ATOM 0 HG3 PRO A 29 8.523 -10.773 -14.763 1.00 73.20 H new ATOM 0 HD2 PRO A 29 6.002 -10.824 -15.795 1.00 43.43 H new ATOM 0 HD3 PRO A 29 6.972 -9.365 -15.819 1.00 43.43 H new ATOM 456 N LYS A 30 8.844 -12.664 -19.791 1.00 63.25 N ATOM 457 CA LYS A 30 8.793 -13.957 -20.464 1.00 54.33 C ATOM 458 C LYS A 30 9.859 -14.899 -19.915 1.00 42.14 C ATOM 459 O LYS A 30 10.097 -15.973 -20.468 1.00 71.03 O ATOM 460 CB LYS A 30 8.982 -13.778 -21.972 1.00 41.23 C ATOM 461 CG LYS A 30 7.682 -13.567 -22.728 1.00 74.20 C ATOM 462 CD LYS A 30 7.728 -14.206 -24.106 1.00 52.41 C ATOM 463 CE LYS A 30 6.480 -13.881 -24.913 1.00 33.33 C ATOM 464 NZ LYS A 30 6.729 -13.967 -26.378 1.00 73.44 N ATOM 0 H LYS A 30 9.437 -11.973 -20.251 1.00 63.25 H new ATOM 0 HA LYS A 30 7.814 -14.397 -20.277 1.00 54.33 H new ATOM 0 HB2 LYS A 30 9.638 -12.925 -22.149 1.00 41.23 H new ATOM 0 HB3 LYS A 30 9.487 -14.657 -22.373 1.00 41.23 H new ATOM 0 HG2 LYS A 30 6.855 -13.990 -22.157 1.00 74.20 H new ATOM 0 HG3 LYS A 30 7.487 -12.499 -22.827 1.00 74.20 H new ATOM 0 HD2 LYS A 30 8.610 -13.856 -24.641 1.00 52.41 H new ATOM 0 HD3 LYS A 30 7.825 -15.287 -24.004 1.00 52.41 H new ATOM 0 HE2 LYS A 30 5.681 -14.570 -24.639 1.00 33.33 H new ATOM 0 HE3 LYS A 30 6.136 -12.878 -24.661 1.00 33.33 H new ATOM 0 HZ1 LYS A 30 5.855 -13.739 -26.893 1.00 73.44 H new ATOM 0 HZ2 LYS A 30 7.474 -13.291 -26.644 1.00 73.44 H new ATOM 0 HZ3 LYS A 30 7.033 -14.931 -26.622 1.00 73.44 H new ATOM 478 N PHE A 31 10.498 -14.490 -18.824 1.00 61.51 N ATOM 479 CA PHE A 31 11.539 -15.299 -18.200 1.00 42.22 C ATOM 480 C PHE A 31 10.930 -16.444 -17.397 1.00 22.14 C ATOM 481 O PHE A 31 9.852 -16.307 -16.819 1.00 54.32 O ATOM 482 CB PHE A 31 12.412 -14.431 -17.291 1.00 43.04 C ATOM 483 CG PHE A 31 13.662 -13.932 -17.959 1.00 31.20 C ATOM 484 CD1 PHE A 31 13.597 -12.955 -18.939 1.00 12.21 C ATOM 485 CD2 PHE A 31 14.902 -14.441 -17.607 1.00 34.20 C ATOM 486 CE1 PHE A 31 14.745 -12.493 -19.555 1.00 31.20 C ATOM 487 CE2 PHE A 31 16.053 -13.983 -18.219 1.00 70.22 C ATOM 488 CZ PHE A 31 15.974 -13.009 -19.195 1.00 65.02 C ATOM 0 H PHE A 31 10.314 -13.604 -18.354 1.00 61.51 H new ATOM 0 HA PHE A 31 12.158 -15.723 -18.991 1.00 42.22 H new ATOM 0 HB2 PHE A 31 11.828 -13.577 -16.947 1.00 43.04 H new ATOM 0 HB3 PHE A 31 12.687 -15.006 -16.407 1.00 43.04 H new ATOM 0 HD1 PHE A 31 12.638 -12.549 -19.225 1.00 12.21 H new ATOM 0 HD2 PHE A 31 14.969 -15.204 -16.846 1.00 34.20 H new ATOM 0 HE1 PHE A 31 14.681 -11.730 -20.316 1.00 31.20 H new ATOM 0 HE2 PHE A 31 17.014 -14.386 -17.934 1.00 70.22 H new ATOM 0 HZ PHE A 31 16.872 -12.651 -19.676 1.00 65.02 H new ATOM 498 N ASP A 32 11.629 -17.573 -17.365 1.00 71.50 N ATOM 499 CA ASP A 32 11.159 -18.743 -16.632 1.00 75.44 C ATOM 500 C ASP A 32 11.025 -18.435 -15.144 1.00 71.24 C ATOM 501 O ASP A 32 10.337 -19.145 -14.413 1.00 33.51 O ATOM 502 CB ASP A 32 12.115 -19.919 -16.839 1.00 33.24 C ATOM 503 CG ASP A 32 11.642 -20.867 -17.923 1.00 54.11 C ATOM 504 OD1 ASP A 32 11.561 -20.437 -19.093 1.00 71.32 O ATOM 505 OD2 ASP A 32 11.353 -22.038 -17.602 1.00 72.51 O ATOM 0 H ASP A 32 12.523 -17.703 -17.838 1.00 71.50 H new ATOM 0 HA ASP A 32 10.176 -19.012 -17.018 1.00 75.44 H new ATOM 0 HB2 ASP A 32 13.103 -19.539 -17.099 1.00 33.24 H new ATOM 0 HB3 ASP A 32 12.221 -20.467 -15.902 1.00 33.24 H new ATOM 510 N ASN A 33 11.689 -17.372 -14.704 1.00 1.35 N ATOM 511 CA ASN A 33 11.646 -16.970 -13.302 1.00 72.31 C ATOM 512 C ASN A 33 10.265 -16.438 -12.931 1.00 32.50 C ATOM 513 O ASN A 33 9.810 -16.597 -11.798 1.00 73.41 O ATOM 514 CB ASN A 33 12.707 -15.905 -13.022 1.00 43.42 C ATOM 515 CG ASN A 33 12.976 -15.731 -11.540 1.00 31.43 C ATOM 516 OD1 ASN A 33 12.899 -16.687 -10.768 1.00 32.42 O ATOM 517 ND2 ASN A 33 13.293 -14.507 -11.135 1.00 60.02 N ATOM 0 H ASN A 33 12.263 -16.773 -15.297 1.00 1.35 H new ATOM 0 HA ASN A 33 11.854 -17.849 -12.692 1.00 72.31 H new ATOM 0 HB2 ASN A 33 13.634 -16.178 -13.527 1.00 43.42 H new ATOM 0 HB3 ASN A 33 12.383 -14.954 -13.444 1.00 43.42 H new ATOM 0 HD21 ASN A 33 13.484 -14.330 -10.149 1.00 60.02 H new ATOM 0 HD22 ASN A 33 13.345 -13.744 -11.810 1.00 60.02 H new ATOM 524 N LYS A 34 9.602 -15.807 -13.894 1.00 10.44 N ATOM 525 CA LYS A 34 8.272 -15.252 -13.671 1.00 31.24 C ATOM 526 C LYS A 34 7.518 -15.099 -14.988 1.00 23.41 C ATOM 527 O LYS A 34 8.001 -14.456 -15.920 1.00 54.12 O ATOM 528 CB LYS A 34 8.373 -13.896 -12.969 1.00 23.25 C ATOM 529 CG LYS A 34 8.489 -14.001 -11.458 1.00 12.34 C ATOM 530 CD LYS A 34 9.884 -13.638 -10.979 1.00 3.34 C ATOM 531 CE LYS A 34 10.261 -14.409 -9.723 1.00 13.33 C ATOM 532 NZ LYS A 34 9.687 -13.787 -8.497 1.00 43.32 N ATOM 0 H LYS A 34 9.964 -15.667 -14.837 1.00 10.44 H new ATOM 0 HA LYS A 34 7.720 -15.944 -13.035 1.00 31.24 H new ATOM 0 HB2 LYS A 34 9.240 -13.360 -13.355 1.00 23.25 H new ATOM 0 HB3 LYS A 34 7.494 -13.301 -13.217 1.00 23.25 H new ATOM 0 HG2 LYS A 34 7.759 -13.341 -10.989 1.00 12.34 H new ATOM 0 HG3 LYS A 34 8.248 -15.016 -11.143 1.00 12.34 H new ATOM 0 HD2 LYS A 34 10.607 -13.849 -11.767 1.00 3.34 H new ATOM 0 HD3 LYS A 34 9.934 -12.568 -10.779 1.00 3.34 H new ATOM 0 HE2 LYS A 34 9.908 -15.437 -9.808 1.00 13.33 H new ATOM 0 HE3 LYS A 34 11.347 -14.451 -9.635 1.00 13.33 H new ATOM 0 HZ1 LYS A 34 10.278 -14.029 -7.676 1.00 43.32 H new ATOM 0 HZ2 LYS A 34 9.660 -12.754 -8.612 1.00 43.32 H new ATOM 0 HZ3 LYS A 34 8.722 -14.143 -8.346 1.00 43.32 H new ATOM 546 N LYS A 35 6.332 -15.694 -15.058 1.00 10.20 N ATOM 547 CA LYS A 35 5.509 -15.622 -16.260 1.00 4.13 C ATOM 548 C LYS A 35 4.082 -16.076 -15.970 1.00 43.12 C ATOM 549 O LYS A 35 3.765 -16.485 -14.853 1.00 73.21 O ATOM 550 CB LYS A 35 6.115 -16.484 -17.369 1.00 60.35 C ATOM 551 CG LYS A 35 6.044 -17.975 -17.089 1.00 33.24 C ATOM 552 CD LYS A 35 6.141 -18.789 -18.368 1.00 71.01 C ATOM 553 CE LYS A 35 7.356 -19.703 -18.356 1.00 64.32 C ATOM 554 NZ LYS A 35 7.374 -20.586 -17.157 1.00 65.43 N ATOM 0 H LYS A 35 5.919 -16.232 -14.296 1.00 10.20 H new ATOM 0 HA LYS A 35 5.481 -14.584 -16.590 1.00 4.13 H new ATOM 0 HB2 LYS A 35 5.597 -16.274 -18.305 1.00 60.35 H new ATOM 0 HB3 LYS A 35 7.157 -16.199 -17.510 1.00 60.35 H new ATOM 0 HG2 LYS A 35 6.852 -18.258 -16.415 1.00 33.24 H new ATOM 0 HG3 LYS A 35 5.108 -18.206 -16.580 1.00 33.24 H new ATOM 0 HD2 LYS A 35 5.237 -19.385 -18.490 1.00 71.01 H new ATOM 0 HD3 LYS A 35 6.198 -18.117 -19.225 1.00 71.01 H new ATOM 0 HE2 LYS A 35 7.359 -20.315 -19.258 1.00 64.32 H new ATOM 0 HE3 LYS A 35 8.264 -19.100 -18.377 1.00 64.32 H new ATOM 0 HZ1 LYS A 35 7.791 -21.505 -17.409 1.00 65.43 H new ATOM 0 HZ2 LYS A 35 7.942 -20.142 -16.407 1.00 65.43 H new ATOM 0 HZ3 LYS A 35 6.402 -20.729 -16.816 1.00 65.43 H new ATOM 568 N CYS A 36 3.226 -16.002 -16.983 1.00 72.45 N ATOM 569 CA CYS A 36 1.833 -16.407 -16.839 1.00 14.44 C ATOM 570 C CYS A 36 1.616 -17.816 -17.382 1.00 52.14 C ATOM 571 O CYS A 36 1.844 -18.080 -18.563 1.00 72.34 O ATOM 572 CB CYS A 36 0.916 -15.421 -17.566 1.00 14.05 C ATOM 573 SG CYS A 36 0.905 -13.747 -16.847 1.00 42.13 S ATOM 0 H CYS A 36 3.473 -15.665 -17.914 1.00 72.45 H new ATOM 0 HA CYS A 36 1.588 -16.405 -15.777 1.00 14.44 H new ATOM 0 HB2 CYS A 36 1.226 -15.355 -18.609 1.00 14.05 H new ATOM 0 HB3 CYS A 36 -0.101 -15.814 -17.560 1.00 14.05 H new ATOM 578 N THR A 37 1.173 -18.718 -16.512 1.00 62.42 N ATOM 579 CA THR A 37 0.926 -20.100 -16.904 1.00 21.45 C ATOM 580 C THR A 37 -0.544 -20.322 -17.239 1.00 33.54 C ATOM 581 O THR A 37 -0.881 -21.150 -18.086 1.00 21.13 O ATOM 582 CB THR A 37 1.341 -21.082 -15.791 1.00 45.05 C ATOM 583 OG1 THR A 37 0.802 -20.656 -14.535 1.00 74.14 O ATOM 584 CG2 THR A 37 2.856 -21.177 -15.692 1.00 24.31 C ATOM 0 H THR A 37 0.978 -18.516 -15.531 1.00 62.42 H new ATOM 0 HA THR A 37 1.531 -20.290 -17.791 1.00 21.45 H new ATOM 0 HB THR A 37 0.946 -22.067 -16.040 1.00 45.05 H new ATOM 0 HG1 THR A 37 1.069 -21.286 -13.834 1.00 74.14 H new ATOM 0 HG21 THR A 37 3.126 -21.876 -14.900 1.00 24.31 H new ATOM 0 HG22 THR A 37 3.261 -21.530 -16.640 1.00 24.31 H new ATOM 0 HG23 THR A 37 3.268 -20.194 -15.464 1.00 24.31 H new ATOM 592 N LYS A 38 -1.418 -19.578 -16.569 1.00 42.22 N ATOM 593 CA LYS A 38 -2.853 -19.691 -16.797 1.00 35.32 C ATOM 594 C LYS A 38 -3.507 -18.314 -16.849 1.00 44.20 C ATOM 595 O LYS A 38 -2.969 -17.341 -16.319 1.00 71.13 O ATOM 596 CB LYS A 38 -3.501 -20.533 -15.694 1.00 45.25 C ATOM 597 CG LYS A 38 -4.487 -21.563 -16.216 1.00 15.13 C ATOM 598 CD LYS A 38 -4.923 -22.522 -15.121 1.00 0.04 C ATOM 599 CE LYS A 38 -4.798 -23.971 -15.567 1.00 15.25 C ATOM 600 NZ LYS A 38 -6.040 -24.455 -16.231 1.00 61.22 N ATOM 0 H LYS A 38 -1.157 -18.890 -15.863 1.00 42.22 H new ATOM 0 HA LYS A 38 -3.004 -20.182 -17.758 1.00 35.32 H new ATOM 0 HB2 LYS A 38 -2.719 -21.043 -15.131 1.00 45.25 H new ATOM 0 HB3 LYS A 38 -4.015 -19.871 -14.997 1.00 45.25 H new ATOM 0 HG2 LYS A 38 -5.361 -21.057 -16.626 1.00 15.13 H new ATOM 0 HG3 LYS A 38 -4.031 -22.124 -17.032 1.00 15.13 H new ATOM 0 HD2 LYS A 38 -4.315 -22.360 -14.231 1.00 0.04 H new ATOM 0 HD3 LYS A 38 -5.956 -22.313 -14.843 1.00 0.04 H new ATOM 0 HE2 LYS A 38 -3.957 -24.069 -16.254 1.00 15.25 H new ATOM 0 HE3 LYS A 38 -4.579 -24.599 -14.704 1.00 15.25 H new ATOM 0 HZ1 LYS A 38 -5.915 -25.446 -16.520 1.00 61.22 H new ATOM 0 HZ2 LYS A 38 -6.838 -24.386 -15.568 1.00 61.22 H new ATOM 0 HZ3 LYS A 38 -6.235 -23.872 -17.069 1.00 61.22 H new ATOM 614 N ASP A 39 -4.668 -18.239 -17.489 1.00 52.11 N ATOM 615 CA ASP A 39 -5.396 -16.981 -17.608 1.00 10.31 C ATOM 616 C ASP A 39 -6.003 -16.575 -16.268 1.00 64.22 C ATOM 617 O ASP A 39 -6.166 -17.404 -15.374 1.00 14.12 O ATOM 618 CB ASP A 39 -6.496 -17.101 -18.664 1.00 45.32 C ATOM 619 CG ASP A 39 -6.027 -17.831 -19.907 1.00 42.14 C ATOM 620 OD1 ASP A 39 -6.091 -19.078 -19.923 1.00 23.21 O ATOM 621 OD2 ASP A 39 -5.597 -17.155 -20.865 1.00 60.03 O ATOM 0 H ASP A 39 -5.126 -19.035 -17.934 1.00 52.11 H new ATOM 0 HA ASP A 39 -4.690 -16.210 -17.916 1.00 10.31 H new ATOM 0 HB2 ASP A 39 -7.350 -17.627 -18.237 1.00 45.32 H new ATOM 0 HB3 ASP A 39 -6.841 -16.105 -18.940 1.00 45.32 H new ATOM 626 N ASN A 40 -6.333 -15.294 -16.137 1.00 62.53 N ATOM 627 CA ASN A 40 -6.920 -14.779 -14.906 1.00 2.51 C ATOM 628 C ASN A 40 -5.976 -14.986 -13.725 1.00 52.41 C ATOM 629 O ASN A 40 -6.396 -14.956 -12.569 1.00 53.33 O ATOM 630 CB ASN A 40 -8.259 -15.464 -14.629 1.00 15.42 C ATOM 631 CG ASN A 40 -9.220 -14.569 -13.869 1.00 71.04 C ATOM 632 OD1 ASN A 40 -10.069 -13.904 -14.464 1.00 65.12 O ATOM 633 ND2 ASN A 40 -9.090 -14.549 -12.548 1.00 13.20 N ATOM 0 H ASN A 40 -6.204 -14.594 -16.868 1.00 62.53 H new ATOM 0 HA ASN A 40 -7.086 -13.709 -15.032 1.00 2.51 H new ATOM 0 HB2 ASN A 40 -8.714 -15.762 -15.574 1.00 15.42 H new ATOM 0 HB3 ASN A 40 -8.086 -16.376 -14.057 1.00 15.42 H new ATOM 0 HD21 ASN A 40 -9.708 -13.966 -11.983 1.00 13.20 H new ATOM 0 HD22 ASN A 40 -8.372 -15.117 -12.098 1.00 13.20 H new ATOM 640 N ASN A 41 -4.698 -15.195 -14.025 1.00 75.23 N ATOM 641 CA ASN A 41 -3.695 -15.407 -12.989 1.00 24.22 C ATOM 642 C ASN A 41 -3.620 -14.207 -12.050 1.00 50.21 C ATOM 643 O ASN A 41 -4.448 -13.298 -12.118 1.00 72.44 O ATOM 644 CB ASN A 41 -2.324 -15.660 -13.621 1.00 35.51 C ATOM 645 CG ASN A 41 -1.727 -16.987 -13.193 1.00 61.13 C ATOM 646 OD1 ASN A 41 -1.055 -17.659 -14.121 1.00 4.02 O flip ATOM 647 ND2 ASN A 41 -1.868 -17.402 -12.043 1.00 30.53 N flip ATOM 0 H ASN A 41 -4.333 -15.222 -14.977 1.00 75.23 H new ATOM 0 HA ASN A 41 -3.988 -16.282 -12.409 1.00 24.22 H new ATOM 0 HB2 ASN A 41 -2.418 -15.640 -14.707 1.00 35.51 H new ATOM 0 HB3 ASN A 41 -1.645 -14.853 -13.345 1.00 35.51 H new ATOM 0 HD21 ASN A 41 -2.392 -16.852 -11.363 1.00 30.53 H new ATOM 0 HD22 ASN A 41 -1.460 -18.296 -11.770 1.00 30.53 H new ATOM 654 N LYS A 42 -2.621 -14.209 -11.174 1.00 33.33 N ATOM 655 CA LYS A 42 -2.436 -13.121 -10.222 1.00 5.34 C ATOM 656 C LYS A 42 -0.964 -12.732 -10.120 1.00 30.11 C ATOM 657 O LYS A 42 -0.081 -13.589 -10.161 1.00 63.12 O ATOM 658 CB LYS A 42 -2.964 -13.525 -8.843 1.00 64.45 C ATOM 659 CG LYS A 42 -3.820 -12.459 -8.183 1.00 74.23 C ATOM 660 CD LYS A 42 -5.251 -12.499 -8.694 1.00 11.53 C ATOM 661 CE LYS A 42 -5.969 -13.762 -8.245 1.00 25.34 C ATOM 662 NZ LYS A 42 -7.435 -13.686 -8.492 1.00 41.54 N ATOM 0 H LYS A 42 -1.927 -14.953 -11.104 1.00 33.33 H new ATOM 0 HA LYS A 42 -2.998 -12.259 -10.581 1.00 5.34 H new ATOM 0 HB2 LYS A 42 -3.549 -14.439 -8.941 1.00 64.45 H new ATOM 0 HB3 LYS A 42 -2.120 -13.755 -8.193 1.00 64.45 H new ATOM 0 HG2 LYS A 42 -3.814 -12.603 -7.103 1.00 74.23 H new ATOM 0 HG3 LYS A 42 -3.391 -11.476 -8.375 1.00 74.23 H new ATOM 0 HD2 LYS A 42 -5.792 -11.624 -8.333 1.00 11.53 H new ATOM 0 HD3 LYS A 42 -5.251 -12.447 -9.783 1.00 11.53 H new ATOM 0 HE2 LYS A 42 -5.556 -14.621 -8.773 1.00 25.34 H new ATOM 0 HE3 LYS A 42 -5.788 -13.924 -7.182 1.00 25.34 H new ATOM 0 HZ1 LYS A 42 -7.887 -14.566 -8.172 1.00 41.54 H new ATOM 0 HZ2 LYS A 42 -7.834 -12.881 -7.968 1.00 41.54 H new ATOM 0 HZ3 LYS A 42 -7.609 -13.557 -9.509 1.00 41.54 H new ATOM 676 N CYS A 43 -0.707 -11.435 -9.985 1.00 72.32 N ATOM 677 CA CYS A 43 0.657 -10.933 -9.876 1.00 50.33 C ATOM 678 C CYS A 43 0.767 -9.895 -8.762 1.00 61.54 C ATOM 679 O CYS A 43 -0.227 -9.540 -8.129 1.00 11.15 O ATOM 680 CB CYS A 43 1.105 -10.320 -11.205 1.00 33.12 C ATOM 681 SG CYS A 43 0.240 -8.777 -11.641 1.00 4.24 S ATOM 0 H CYS A 43 -1.426 -10.713 -9.949 1.00 72.32 H new ATOM 0 HA CYS A 43 1.308 -11.772 -9.633 1.00 50.33 H new ATOM 0 HB2 CYS A 43 2.176 -10.123 -11.159 1.00 33.12 H new ATOM 0 HB3 CYS A 43 0.949 -11.049 -12.000 1.00 33.12 H new ATOM 686 N THR A 44 1.984 -9.413 -8.529 1.00 53.30 N ATOM 687 CA THR A 44 2.225 -8.417 -7.492 1.00 60.41 C ATOM 688 C THR A 44 3.214 -7.358 -7.966 1.00 32.40 C ATOM 689 O THR A 44 4.158 -7.659 -8.697 1.00 1.35 O ATOM 690 CB THR A 44 2.765 -9.068 -6.204 1.00 54.51 C ATOM 691 OG1 THR A 44 3.368 -10.330 -6.508 1.00 72.12 O ATOM 692 CG2 THR A 44 1.649 -9.264 -5.189 1.00 30.12 C ATOM 0 H THR A 44 2.818 -9.696 -9.044 1.00 53.30 H new ATOM 0 HA THR A 44 1.266 -7.944 -7.278 1.00 60.41 H new ATOM 0 HB THR A 44 3.514 -8.403 -5.773 1.00 54.51 H new ATOM 0 HG1 THR A 44 3.710 -10.736 -5.684 1.00 72.12 H new ATOM 0 HG21 THR A 44 2.054 -9.725 -4.288 1.00 30.12 H new ATOM 0 HG22 THR A 44 1.212 -8.298 -4.937 1.00 30.12 H new ATOM 0 HG23 THR A 44 0.881 -9.910 -5.613 1.00 30.12 H new ATOM 700 N VAL A 45 2.991 -6.117 -7.545 1.00 64.21 N ATOM 701 CA VAL A 45 3.864 -5.013 -7.925 1.00 65.13 C ATOM 702 C VAL A 45 3.980 -3.991 -6.800 1.00 32.11 C ATOM 703 O VAL A 45 2.975 -3.471 -6.314 1.00 61.22 O ATOM 704 CB VAL A 45 3.355 -4.306 -9.195 1.00 70.44 C ATOM 705 CG1 VAL A 45 4.301 -3.186 -9.599 1.00 51.31 C ATOM 706 CG2 VAL A 45 3.185 -5.306 -10.329 1.00 63.32 C ATOM 0 H VAL A 45 2.213 -5.851 -6.941 1.00 64.21 H new ATOM 0 HA VAL A 45 4.846 -5.441 -8.125 1.00 65.13 H new ATOM 0 HB VAL A 45 2.381 -3.866 -8.979 1.00 70.44 H new ATOM 0 HG11 VAL A 45 3.925 -2.698 -10.498 1.00 51.31 H new ATOM 0 HG12 VAL A 45 4.367 -2.457 -8.792 1.00 51.31 H new ATOM 0 HG13 VAL A 45 5.290 -3.599 -9.797 1.00 51.31 H new ATOM 0 HG21 VAL A 45 2.825 -4.789 -11.219 1.00 63.32 H new ATOM 0 HG22 VAL A 45 4.144 -5.777 -10.546 1.00 63.32 H new ATOM 0 HG23 VAL A 45 2.464 -6.069 -10.036 1.00 63.32 H new ATOM 716 N ASP A 46 5.211 -3.707 -6.390 1.00 62.31 N ATOM 717 CA ASP A 46 5.459 -2.746 -5.322 1.00 51.42 C ATOM 718 C ASP A 46 6.335 -1.599 -5.816 1.00 43.23 C ATOM 719 O ASP A 46 7.374 -1.820 -6.440 1.00 31.21 O ATOM 720 CB ASP A 46 6.124 -3.435 -4.130 1.00 61.10 C ATOM 721 CG ASP A 46 5.879 -2.702 -2.826 1.00 50.52 C ATOM 722 OD1 ASP A 46 6.572 -1.693 -2.573 1.00 34.42 O ATOM 723 OD2 ASP A 46 4.994 -3.135 -2.059 1.00 51.15 O ATOM 0 H ASP A 46 6.053 -4.129 -6.781 1.00 62.31 H new ATOM 0 HA ASP A 46 4.500 -2.337 -5.006 1.00 51.42 H new ATOM 0 HB2 ASP A 46 5.747 -4.454 -4.047 1.00 61.10 H new ATOM 0 HB3 ASP A 46 7.197 -3.506 -4.307 1.00 61.10 H new ATOM 728 N THR A 47 5.909 -0.371 -5.534 1.00 64.34 N ATOM 729 CA THR A 47 6.653 0.810 -5.952 1.00 4.43 C ATOM 730 C THR A 47 7.737 1.163 -4.940 1.00 3.43 C ATOM 731 O THR A 47 8.672 1.902 -5.249 1.00 42.52 O ATOM 732 CB THR A 47 5.723 2.024 -6.135 1.00 10.31 C ATOM 733 OG1 THR A 47 4.371 1.654 -5.844 1.00 31.43 O ATOM 734 CG2 THR A 47 5.812 2.565 -7.554 1.00 74.21 C ATOM 0 H THR A 47 5.053 -0.169 -5.018 1.00 64.34 H new ATOM 0 HA THR A 47 7.117 0.569 -6.909 1.00 4.43 H new ATOM 0 HB THR A 47 6.042 2.805 -5.445 1.00 10.31 H new ATOM 0 HG1 THR A 47 3.787 2.432 -5.961 1.00 31.43 H new ATOM 0 HG21 THR A 47 5.147 3.422 -7.659 1.00 74.21 H new ATOM 0 HG22 THR A 47 6.836 2.874 -7.762 1.00 74.21 H new ATOM 0 HG23 THR A 47 5.517 1.788 -8.259 1.00 74.21 H new ATOM 742 N TYR A 48 7.607 0.631 -3.730 1.00 73.40 N ATOM 743 CA TYR A 48 8.575 0.891 -2.671 1.00 50.15 C ATOM 744 C TYR A 48 9.770 -0.051 -2.782 1.00 41.34 C ATOM 745 O TYR A 48 10.914 0.355 -2.583 1.00 63.33 O ATOM 746 CB TYR A 48 7.916 0.738 -1.300 1.00 30.54 C ATOM 747 CG TYR A 48 7.923 2.007 -0.479 1.00 2.32 C ATOM 748 CD1 TYR A 48 9.020 2.347 0.303 1.00 24.51 C ATOM 749 CD2 TYR A 48 6.833 2.869 -0.486 1.00 73.52 C ATOM 750 CE1 TYR A 48 9.031 3.505 1.055 1.00 13.21 C ATOM 751 CE2 TYR A 48 6.835 4.030 0.262 1.00 51.24 C ATOM 752 CZ TYR A 48 7.936 4.344 1.031 1.00 71.21 C ATOM 753 OH TYR A 48 7.943 5.500 1.777 1.00 30.25 O ATOM 0 H TYR A 48 6.840 0.016 -3.458 1.00 73.40 H new ATOM 0 HA TYR A 48 8.931 1.915 -2.783 1.00 50.15 H new ATOM 0 HB2 TYR A 48 6.886 0.409 -1.436 1.00 30.54 H new ATOM 0 HB3 TYR A 48 8.430 -0.047 -0.745 1.00 30.54 H new ATOM 0 HD1 TYR A 48 9.880 1.694 0.323 1.00 24.51 H new ATOM 0 HD2 TYR A 48 5.969 2.627 -1.087 1.00 73.52 H new ATOM 0 HE1 TYR A 48 9.892 3.753 1.658 1.00 13.21 H new ATOM 0 HE2 TYR A 48 5.979 4.688 0.245 1.00 51.24 H new ATOM 0 HH TYR A 48 7.097 5.978 1.648 1.00 30.25 H new ATOM 763 N ASN A 49 9.494 -1.311 -3.102 1.00 43.25 N ATOM 764 CA ASN A 49 10.546 -2.312 -3.241 1.00 33.05 C ATOM 765 C ASN A 49 10.842 -2.591 -4.711 1.00 54.10 C ATOM 766 O ASN A 49 11.772 -3.325 -5.039 1.00 25.33 O ATOM 767 CB ASN A 49 10.140 -3.608 -2.536 1.00 24.04 C ATOM 768 CG ASN A 49 10.186 -3.483 -1.025 1.00 32.11 C ATOM 769 OD1 ASN A 49 9.585 -2.577 -0.448 1.00 0.25 O ATOM 770 ND2 ASN A 49 10.901 -4.395 -0.377 1.00 61.42 N ATOM 0 H ASN A 49 8.552 -1.663 -3.270 1.00 43.25 H new ATOM 0 HA ASN A 49 11.450 -1.920 -2.776 1.00 33.05 H new ATOM 0 HB2 ASN A 49 9.132 -3.886 -2.844 1.00 24.04 H new ATOM 0 HB3 ASN A 49 10.803 -4.413 -2.852 1.00 24.04 H new ATOM 0 HD21 ASN A 49 10.968 -4.362 0.640 1.00 61.42 H new ATOM 0 HD22 ASN A 49 11.383 -5.129 -0.896 1.00 61.42 H new ATOM 777 N ASN A 50 10.043 -1.998 -5.592 1.00 74.45 N ATOM 778 CA ASN A 50 10.219 -2.183 -7.028 1.00 54.24 C ATOM 779 C ASN A 50 10.283 -3.665 -7.383 1.00 24.34 C ATOM 780 O ASN A 50 10.917 -4.052 -8.364 1.00 73.32 O ATOM 781 CB ASN A 50 11.491 -1.478 -7.502 1.00 2.40 C ATOM 782 CG ASN A 50 11.271 0.000 -7.763 1.00 75.22 C ATOM 783 OD1 ASN A 50 11.756 0.852 -7.019 1.00 54.32 O ATOM 784 ND2 ASN A 50 10.535 0.309 -8.825 1.00 11.45 N ATOM 0 H ASN A 50 9.268 -1.386 -5.337 1.00 74.45 H new ATOM 0 HA ASN A 50 9.358 -1.744 -7.533 1.00 54.24 H new ATOM 0 HB2 ASN A 50 12.271 -1.599 -6.751 1.00 2.40 H new ATOM 0 HB3 ASN A 50 11.849 -1.956 -8.414 1.00 2.40 H new ATOM 0 HD21 ASN A 50 10.352 1.286 -9.052 1.00 11.45 H new ATOM 0 HD22 ASN A 50 10.153 -0.431 -9.414 1.00 11.45 H new ATOM 791 N ALA A 51 9.623 -4.490 -6.576 1.00 63.13 N ATOM 792 CA ALA A 51 9.603 -5.929 -6.806 1.00 25.43 C ATOM 793 C ALA A 51 8.312 -6.358 -7.494 1.00 42.24 C ATOM 794 O ALA A 51 7.217 -6.009 -7.055 1.00 13.54 O ATOM 795 CB ALA A 51 9.775 -6.676 -5.491 1.00 44.20 C ATOM 0 H ALA A 51 9.095 -4.186 -5.758 1.00 63.13 H new ATOM 0 HA ALA A 51 10.435 -6.178 -7.465 1.00 25.43 H new ATOM 0 HB1 ALA A 51 9.758 -7.750 -5.678 1.00 44.20 H new ATOM 0 HB2 ALA A 51 10.728 -6.401 -5.038 1.00 44.20 H new ATOM 0 HB3 ALA A 51 8.962 -6.413 -4.814 1.00 44.20 H new ATOM 801 N VAL A 52 8.448 -7.116 -8.578 1.00 21.23 N ATOM 802 CA VAL A 52 7.292 -7.593 -9.327 1.00 51.33 C ATOM 803 C VAL A 52 7.278 -9.115 -9.407 1.00 61.03 C ATOM 804 O VAL A 52 8.324 -9.749 -9.553 1.00 14.33 O ATOM 805 CB VAL A 52 7.271 -7.014 -10.755 1.00 22.33 C ATOM 806 CG1 VAL A 52 6.519 -5.693 -10.785 1.00 12.34 C ATOM 807 CG2 VAL A 52 8.688 -6.842 -11.280 1.00 64.50 C ATOM 0 H VAL A 52 9.347 -7.413 -8.957 1.00 21.23 H new ATOM 0 HA VAL A 52 6.406 -7.253 -8.792 1.00 51.33 H new ATOM 0 HB VAL A 52 6.749 -7.716 -11.405 1.00 22.33 H new ATOM 0 HG11 VAL A 52 6.515 -5.300 -11.802 1.00 12.34 H new ATOM 0 HG12 VAL A 52 5.493 -5.851 -10.453 1.00 12.34 H new ATOM 0 HG13 VAL A 52 7.009 -4.980 -10.122 1.00 12.34 H new ATOM 0 HG21 VAL A 52 8.655 -6.432 -12.289 1.00 64.50 H new ATOM 0 HG22 VAL A 52 9.237 -6.161 -10.630 1.00 64.50 H new ATOM 0 HG23 VAL A 52 9.189 -7.810 -11.298 1.00 64.50 H new ATOM 817 N ASP A 53 6.087 -9.696 -9.312 1.00 64.11 N ATOM 818 CA ASP A 53 5.936 -11.145 -9.375 1.00 65.23 C ATOM 819 C ASP A 53 4.713 -11.529 -10.202 1.00 12.43 C ATOM 820 O ASP A 53 3.576 -11.281 -9.799 1.00 11.01 O ATOM 821 CB ASP A 53 5.819 -11.729 -7.967 1.00 22.15 C ATOM 822 CG ASP A 53 6.815 -12.845 -7.718 1.00 33.14 C ATOM 823 OD1 ASP A 53 6.852 -13.798 -8.524 1.00 34.53 O ATOM 824 OD2 ASP A 53 7.558 -12.765 -6.717 1.00 54.33 O ATOM 0 H ASP A 53 5.212 -9.186 -9.191 1.00 64.11 H new ATOM 0 HA ASP A 53 6.822 -11.557 -9.858 1.00 65.23 H new ATOM 0 HB2 ASP A 53 5.975 -10.937 -7.234 1.00 22.15 H new ATOM 0 HB3 ASP A 53 4.808 -12.108 -7.817 1.00 22.15 H new ATOM 829 N CYS A 54 4.953 -12.133 -11.360 1.00 65.42 N ATOM 830 CA CYS A 54 3.872 -12.550 -12.245 1.00 3.10 C ATOM 831 C CYS A 54 3.670 -14.061 -12.183 1.00 24.20 C ATOM 832 O CYS A 54 4.630 -14.829 -12.247 1.00 64.32 O ATOM 833 CB CYS A 54 4.169 -12.123 -13.684 1.00 3.43 C ATOM 834 SG CYS A 54 2.705 -12.087 -14.766 1.00 74.02 S ATOM 0 H CYS A 54 5.888 -12.345 -11.708 1.00 65.42 H new ATOM 0 HA CYS A 54 2.955 -12.064 -11.911 1.00 3.10 H new ATOM 0 HB2 CYS A 54 4.623 -11.132 -13.671 1.00 3.43 H new ATOM 0 HB3 CYS A 54 4.905 -12.805 -14.109 1.00 3.43 H new ATOM 839 N ASP A 55 2.416 -14.480 -12.058 1.00 71.11 N ATOM 840 CA ASP A 55 2.087 -15.899 -11.989 1.00 31.12 C ATOM 841 C ASP A 55 1.461 -16.376 -13.296 1.00 25.43 C ATOM 842 O ASP A 55 1.660 -17.520 -13.709 1.00 44.54 O ATOM 843 CB ASP A 55 1.132 -16.167 -10.824 1.00 41.23 C ATOM 844 CG ASP A 55 1.673 -15.658 -9.503 1.00 5.31 C ATOM 845 OD1 ASP A 55 2.902 -15.455 -9.404 1.00 35.21 O ATOM 846 OD2 ASP A 55 0.869 -15.463 -8.567 1.00 42.54 O ATOM 0 H ASP A 55 1.610 -13.857 -12.002 1.00 71.11 H new ATOM 0 HA ASP A 55 3.011 -16.453 -11.826 1.00 31.12 H new ATOM 0 HB2 ASP A 55 0.173 -15.691 -11.028 1.00 41.23 H new ATOM 0 HB3 ASP A 55 0.947 -17.239 -10.749 1.00 41.23 H new