USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 11 TYR OH : rot 108:sc= 0.432 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 68:sc= 0.497 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 29:sc= 0.417 USER MOD Single : A 28 THR OG1 : rot 180:sc= -3.92! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -14:sc= 0.99 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -109:sc= 1.21 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.858 F(o=-1.8!,f=-0.86) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= -2.46 (180deg=-4.83!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.988 -3.904 -15.026 1.00 0.00 N ATOM 2 CA GLY A 1 3.863 -2.759 -15.208 1.00 0.00 C ATOM 3 C GLY A 1 5.225 -3.000 -14.554 1.00 0.00 C ATOM 4 O GLY A 1 5.400 -2.744 -13.363 1.00 0.00 O ATOM 0 H1 GLY A 1 2.071 -3.715 -15.479 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.421 -4.744 -15.459 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.844 -4.073 -14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.996 -2.564 -16.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.401 -1.871 -14.777 1.00 0.00 H new ATOM 8 N SER A 2 6.155 -3.489 -15.360 1.00 0.00 N ATOM 9 CA SER A 2 7.496 -3.767 -14.875 1.00 0.00 C ATOM 10 C SER A 2 8.529 -3.066 -15.759 1.00 0.00 C ATOM 11 O SER A 2 8.840 -3.540 -16.851 1.00 0.00 O ATOM 12 CB SER A 2 7.766 -5.273 -14.835 1.00 0.00 C ATOM 13 OG SER A 2 7.208 -5.884 -13.675 1.00 0.00 O ATOM 0 H SER A 2 6.006 -3.700 -16.347 1.00 0.00 H new ATOM 0 HA SER A 2 7.578 -3.383 -13.858 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.349 -5.740 -15.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.841 -5.449 -14.856 1.00 0.00 H new ATOM 0 HG SER A 2 7.400 -6.845 -13.687 1.00 0.00 H new ATOM 19 N SER A 3 9.032 -1.949 -15.255 1.00 0.00 N ATOM 20 CA SER A 3 10.024 -1.178 -15.985 1.00 0.00 C ATOM 21 C SER A 3 11.171 -0.784 -15.053 1.00 0.00 C ATOM 22 O SER A 3 11.037 -0.856 -13.833 1.00 0.00 O ATOM 23 CB SER A 3 9.398 0.069 -16.614 1.00 0.00 C ATOM 24 OG SER A 3 8.467 -0.260 -17.641 1.00 0.00 O ATOM 0 H SER A 3 8.771 -1.559 -14.349 1.00 0.00 H new ATOM 0 HA SER A 3 10.416 -1.800 -16.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.895 0.651 -15.842 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.185 0.700 -17.027 1.00 0.00 H new ATOM 0 HG SER A 3 8.089 0.563 -18.016 1.00 0.00 H new ATOM 30 N GLY A 4 12.274 -0.376 -15.664 1.00 0.00 N ATOM 31 CA GLY A 4 13.444 0.029 -14.904 1.00 0.00 C ATOM 32 C GLY A 4 13.704 -0.932 -13.742 1.00 0.00 C ATOM 33 O GLY A 4 13.559 -2.145 -13.891 1.00 0.00 O ATOM 0 H GLY A 4 12.382 -0.317 -16.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.315 0.058 -15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.301 1.039 -14.520 1.00 0.00 H new ATOM 37 N SER A 5 14.083 -0.355 -12.612 1.00 0.00 N ATOM 38 CA SER A 5 14.364 -1.146 -11.426 1.00 0.00 C ATOM 39 C SER A 5 13.854 -0.419 -10.180 1.00 0.00 C ATOM 40 O SER A 5 13.840 0.810 -10.135 1.00 0.00 O ATOM 41 CB SER A 5 15.862 -1.432 -11.297 1.00 0.00 C ATOM 42 OG SER A 5 16.174 -2.789 -11.600 1.00 0.00 O ATOM 0 H SER A 5 14.202 0.651 -12.492 1.00 0.00 H new ATOM 0 HA SER A 5 13.846 -2.100 -11.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.416 -0.774 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.189 -1.202 -10.283 1.00 0.00 H new ATOM 0 HG SER A 5 17.139 -2.931 -11.508 1.00 0.00 H new ATOM 48 N SER A 6 13.448 -1.210 -9.197 1.00 0.00 N ATOM 49 CA SER A 6 12.938 -0.658 -7.954 1.00 0.00 C ATOM 50 C SER A 6 12.046 0.551 -8.245 1.00 0.00 C ATOM 51 O SER A 6 12.458 1.693 -8.046 1.00 0.00 O ATOM 52 CB SER A 6 14.081 -0.261 -7.018 1.00 0.00 C ATOM 53 OG SER A 6 13.622 -0.002 -5.694 1.00 0.00 O ATOM 0 H SER A 6 13.462 -2.229 -9.237 1.00 0.00 H new ATOM 0 HA SER A 6 12.347 -1.426 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.824 -1.058 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.578 0.627 -7.409 1.00 0.00 H new ATOM 0 HG SER A 6 14.382 0.247 -5.127 1.00 0.00 H new ATOM 59 N GLY A 7 10.841 0.258 -8.712 1.00 0.00 N ATOM 60 CA GLY A 7 9.888 1.307 -9.032 1.00 0.00 C ATOM 61 C GLY A 7 8.821 1.430 -7.942 1.00 0.00 C ATOM 62 O GLY A 7 8.758 2.438 -7.241 1.00 0.00 O ATOM 0 H GLY A 7 10.503 -0.690 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.411 2.257 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.412 1.092 -9.989 1.00 0.00 H new ATOM 66 N GLY A 8 8.008 0.389 -7.834 1.00 0.00 N ATOM 67 CA GLY A 8 6.947 0.367 -6.842 1.00 0.00 C ATOM 68 C GLY A 8 7.337 -0.497 -5.641 1.00 0.00 C ATOM 69 O GLY A 8 8.117 -1.439 -5.776 1.00 0.00 O ATOM 0 H GLY A 8 8.063 -0.446 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.734 1.383 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.032 -0.020 -7.291 1.00 0.00 H new ATOM 73 N GLU A 9 6.777 -0.145 -4.493 1.00 0.00 N ATOM 74 CA GLU A 9 7.057 -0.876 -3.269 1.00 0.00 C ATOM 75 C GLU A 9 5.791 -1.574 -2.766 1.00 0.00 C ATOM 76 O GLU A 9 4.769 -0.927 -2.543 1.00 0.00 O ATOM 77 CB GLU A 9 7.635 0.049 -2.197 1.00 0.00 C ATOM 78 CG GLU A 9 9.136 0.259 -2.405 1.00 0.00 C ATOM 79 CD GLU A 9 9.853 0.463 -1.069 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.663 1.552 -0.484 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.573 -0.474 -0.662 1.00 0.00 O ATOM 0 H GLU A 9 6.131 0.637 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 9 7.806 -1.637 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.122 1.010 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.457 -0.377 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.559 -0.603 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.300 1.126 -3.046 1.00 0.00 H new ATOM 88 N GLU A 10 5.900 -2.884 -2.603 1.00 0.00 N ATOM 89 CA GLU A 10 4.777 -3.675 -2.131 1.00 0.00 C ATOM 90 C GLU A 10 4.620 -3.523 -0.616 1.00 0.00 C ATOM 91 O GLU A 10 5.605 -3.542 0.119 1.00 0.00 O ATOM 92 CB GLU A 10 4.941 -5.146 -2.520 1.00 0.00 C ATOM 93 CG GLU A 10 4.755 -5.338 -4.026 1.00 0.00 C ATOM 94 CD GLU A 10 6.103 -5.319 -4.752 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.831 -6.327 -4.624 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.374 -4.296 -5.418 1.00 0.00 O ATOM 0 H GLU A 10 6.749 -3.418 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 10 3.870 -3.305 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.930 -5.496 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.214 -5.752 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.249 -6.285 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.114 -4.549 -4.420 1.00 0.00 H new ATOM 103 N TYR A 11 3.372 -3.376 -0.195 1.00 0.00 N ATOM 104 CA TYR A 11 3.073 -3.221 1.218 1.00 0.00 C ATOM 105 C TYR A 11 1.797 -3.977 1.595 1.00 0.00 C ATOM 106 O TYR A 11 0.887 -4.111 0.778 1.00 0.00 O ATOM 107 CB TYR A 11 2.848 -1.723 1.439 1.00 0.00 C ATOM 108 CG TYR A 11 4.105 -0.962 1.863 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.984 -0.493 0.907 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.361 -0.743 3.202 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.167 0.224 1.306 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.544 -0.026 3.601 1.00 0.00 C ATOM 113 CZ TYR A 11 6.389 0.422 2.633 1.00 0.00 C ATOM 114 OH TYR A 11 7.506 1.100 3.010 1.00 0.00 O ATOM 0 H TYR A 11 2.557 -3.361 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 11 3.885 -3.617 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.463 -1.284 0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.080 -1.590 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.784 -0.664 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.674 -1.110 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.862 0.596 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.756 0.152 4.645 1.00 0.00 H new ATOM 0 HH TYR A 11 7.254 1.988 3.340 1.00 0.00 H new ATOM 124 N ILE A 12 1.772 -4.451 2.832 1.00 0.00 N ATOM 125 CA ILE A 12 0.623 -5.190 3.326 1.00 0.00 C ATOM 126 C ILE A 12 -0.202 -4.287 4.246 1.00 0.00 C ATOM 127 O ILE A 12 0.318 -3.748 5.222 1.00 0.00 O ATOM 128 CB ILE A 12 1.070 -6.496 3.987 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.974 -7.302 3.052 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.135 -7.311 4.461 1.00 0.00 C ATOM 131 CD1 ILE A 12 1.155 -8.273 2.200 1.00 0.00 C ATOM 0 H ILE A 12 2.529 -4.338 3.506 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.025 -5.482 2.500 1.00 0.00 H new ATOM 0 HB ILE A 12 1.659 -6.248 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.530 -6.624 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.707 -7.856 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.210 -8.234 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.705 -6.730 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.770 -7.551 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.822 -8.833 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.619 -8.965 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.439 -7.714 1.597 1.00 0.00 H new ATOM 143 N ALA A 13 -1.474 -4.149 3.901 1.00 0.00 N ATOM 144 CA ALA A 13 -2.375 -3.320 4.683 1.00 0.00 C ATOM 145 C ALA A 13 -2.515 -3.911 6.088 1.00 0.00 C ATOM 146 O ALA A 13 -2.988 -5.035 6.249 1.00 0.00 O ATOM 147 CB ALA A 13 -3.720 -3.208 3.962 1.00 0.00 C ATOM 0 H ALA A 13 -1.902 -4.597 3.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.975 -2.311 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.396 -2.586 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.571 -2.757 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.152 -4.201 3.842 1.00 0.00 H new ATOM 153 N LEU A 14 -2.094 -3.127 7.069 1.00 0.00 N ATOM 154 CA LEU A 14 -2.165 -3.558 8.455 1.00 0.00 C ATOM 155 C LEU A 14 -3.620 -3.506 8.926 1.00 0.00 C ATOM 156 O LEU A 14 -4.117 -4.459 9.525 1.00 0.00 O ATOM 157 CB LEU A 14 -1.209 -2.737 9.322 1.00 0.00 C ATOM 158 CG LEU A 14 0.275 -3.093 9.206 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.150 -2.006 9.834 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.556 -4.472 9.804 1.00 0.00 C ATOM 0 H LEU A 14 -1.702 -2.195 6.932 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.835 -4.592 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.331 -1.685 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.509 -2.848 10.364 1.00 0.00 H new ATOM 0 HG LEU A 14 0.533 -3.143 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.200 -2.283 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.977 -1.059 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.898 -1.900 10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.618 -4.701 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.277 -4.475 10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.026 -5.225 9.272 1.00 0.00 H new ATOM 172 N TYR A 15 -4.263 -2.384 8.638 1.00 0.00 N ATOM 173 CA TYR A 15 -5.651 -2.195 9.024 1.00 0.00 C ATOM 174 C TYR A 15 -6.500 -1.766 7.826 1.00 0.00 C ATOM 175 O TYR A 15 -5.982 -1.202 6.863 1.00 0.00 O ATOM 176 CB TYR A 15 -5.650 -1.072 10.063 1.00 0.00 C ATOM 177 CG TYR A 15 -4.753 -1.342 11.272 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.242 -2.054 12.349 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.455 -0.875 11.286 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.398 -2.309 13.487 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.610 -1.130 12.425 1.00 0.00 C ATOM 182 CZ TYR A 15 -3.124 -1.834 13.469 1.00 0.00 C ATOM 183 OH TYR A 15 -2.326 -2.075 14.544 1.00 0.00 O ATOM 0 H TYR A 15 -3.848 -1.596 8.141 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.072 -3.123 9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.327 -0.148 9.583 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.671 -0.911 10.410 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.258 -2.420 12.338 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.072 -0.318 10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.768 -2.865 14.336 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.592 -0.770 12.449 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.443 -1.678 14.392 1.00 0.00 H new ATOM 193 N PRO A 16 -7.825 -2.057 7.927 1.00 0.00 N ATOM 194 CA PRO A 16 -8.751 -1.707 6.864 1.00 0.00 C ATOM 195 C PRO A 16 -9.045 -0.206 6.864 1.00 0.00 C ATOM 196 O PRO A 16 -9.685 0.305 7.783 1.00 0.00 O ATOM 197 CB PRO A 16 -9.986 -2.554 7.123 1.00 0.00 C ATOM 198 CG PRO A 16 -9.890 -2.998 8.574 1.00 0.00 C ATOM 199 CD PRO A 16 -8.473 -2.724 9.052 1.00 0.00 C ATOM 0 HA PRO A 16 -8.347 -1.908 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.896 -1.980 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.018 -3.413 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.611 -2.457 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.125 -4.058 8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.470 -2.094 9.941 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.958 -3.648 9.315 1.00 0.00 H new ATOM 207 N TYR A 17 -8.564 0.460 5.825 1.00 0.00 N ATOM 208 CA TYR A 17 -8.767 1.892 5.694 1.00 0.00 C ATOM 209 C TYR A 17 -9.767 2.205 4.578 1.00 0.00 C ATOM 210 O TYR A 17 -9.533 1.869 3.418 1.00 0.00 O ATOM 211 CB TYR A 17 -7.405 2.479 5.320 1.00 0.00 C ATOM 212 CG TYR A 17 -7.397 4.004 5.197 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.268 4.788 6.325 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.519 4.597 3.956 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.260 6.223 6.209 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.512 6.032 3.839 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.383 6.774 4.972 1.00 0.00 C ATOM 218 OH TYR A 17 -7.376 8.130 4.862 1.00 0.00 O ATOM 0 H TYR A 17 -8.034 0.034 5.065 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.162 2.309 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.674 2.182 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.082 2.047 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.173 4.325 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.620 3.984 3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.159 6.847 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.607 6.508 2.874 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.489 8.473 5.097 1.00 0.00 H new ATOM 228 N SER A 18 -10.860 2.844 4.969 1.00 0.00 N ATOM 229 CA SER A 18 -11.896 3.205 4.016 1.00 0.00 C ATOM 230 C SER A 18 -12.070 4.725 3.984 1.00 0.00 C ATOM 231 O SER A 18 -11.954 5.389 5.013 1.00 0.00 O ATOM 232 CB SER A 18 -13.223 2.526 4.361 1.00 0.00 C ATOM 233 OG SER A 18 -13.513 2.599 5.755 1.00 0.00 O ATOM 0 H SER A 18 -11.051 3.121 5.932 1.00 0.00 H new ATOM 0 HA SER A 18 -11.588 2.860 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.029 2.997 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.187 1.481 4.052 1.00 0.00 H new ATOM 0 HG SER A 18 -14.369 2.156 5.935 1.00 0.00 H new ATOM 239 N SER A 19 -12.345 5.232 2.791 1.00 0.00 N ATOM 240 CA SER A 19 -12.536 6.661 2.611 1.00 0.00 C ATOM 241 C SER A 19 -13.098 6.942 1.216 1.00 0.00 C ATOM 242 O SER A 19 -12.437 6.680 0.212 1.00 0.00 O ATOM 243 CB SER A 19 -11.226 7.422 2.819 1.00 0.00 C ATOM 244 OG SER A 19 -11.429 8.659 3.498 1.00 0.00 O ATOM 0 H SER A 19 -12.440 4.678 1.940 1.00 0.00 H new ATOM 0 HA SER A 19 -13.249 7.008 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.534 6.804 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.759 7.611 1.852 1.00 0.00 H new ATOM 0 HG SER A 19 -10.569 9.114 3.613 1.00 0.00 H new ATOM 250 N VAL A 20 -14.312 7.472 1.197 1.00 0.00 N ATOM 251 CA VAL A 20 -14.970 7.792 -0.058 1.00 0.00 C ATOM 252 C VAL A 20 -14.504 9.168 -0.537 1.00 0.00 C ATOM 253 O VAL A 20 -15.323 10.047 -0.801 1.00 0.00 O ATOM 254 CB VAL A 20 -16.488 7.699 0.108 1.00 0.00 C ATOM 255 CG1 VAL A 20 -16.916 6.270 0.450 1.00 0.00 C ATOM 256 CG2 VAL A 20 -16.985 8.688 1.164 1.00 0.00 C ATOM 0 H VAL A 20 -14.857 7.688 2.031 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.696 7.070 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.946 7.967 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -17.999 6.232 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.610 5.597 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.443 5.962 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.067 8.602 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.514 8.465 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.728 9.703 0.861 1.00 0.00 H new ATOM 266 N GLU A 21 -13.190 9.312 -0.635 1.00 0.00 N ATOM 267 CA GLU A 21 -12.606 10.566 -1.078 1.00 0.00 C ATOM 268 C GLU A 21 -11.921 10.383 -2.434 1.00 0.00 C ATOM 269 O GLU A 21 -11.215 9.399 -2.649 1.00 0.00 O ATOM 270 CB GLU A 21 -11.626 11.112 -0.038 1.00 0.00 C ATOM 271 CG GLU A 21 -12.371 11.752 1.135 1.00 0.00 C ATOM 272 CD GLU A 21 -11.530 12.853 1.785 1.00 0.00 C ATOM 273 OE1 GLU A 21 -10.992 13.681 1.019 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.445 12.841 3.032 1.00 0.00 O ATOM 0 H GLU A 21 -12.514 8.581 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.407 11.296 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.991 10.305 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.970 11.849 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.316 12.169 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.613 10.990 1.876 1.00 0.00 H new ATOM 281 N PRO A 22 -12.158 11.373 -3.336 1.00 0.00 N ATOM 282 CA PRO A 22 -11.572 11.331 -4.665 1.00 0.00 C ATOM 283 C PRO A 22 -10.084 11.682 -4.619 1.00 0.00 C ATOM 284 O PRO A 22 -9.623 12.547 -5.363 1.00 0.00 O ATOM 285 CB PRO A 22 -12.390 12.314 -5.487 1.00 0.00 C ATOM 286 CG PRO A 22 -13.098 13.209 -4.483 1.00 0.00 C ATOM 287 CD PRO A 22 -12.988 12.554 -3.116 1.00 0.00 C ATOM 0 HA PRO A 22 -11.607 10.336 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.750 12.898 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.108 11.792 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.645 14.200 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.144 13.341 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.533 13.228 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.969 12.281 -2.727 1.00 0.00 H new ATOM 295 N GLY A 23 -9.372 10.994 -3.739 1.00 0.00 N ATOM 296 CA GLY A 23 -7.946 11.222 -3.586 1.00 0.00 C ATOM 297 C GLY A 23 -7.322 10.188 -2.648 1.00 0.00 C ATOM 298 O GLY A 23 -6.204 9.729 -2.879 1.00 0.00 O ATOM 0 H GLY A 23 -9.757 10.277 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.460 11.174 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.775 12.224 -3.193 1.00 0.00 H new ATOM 302 N ASP A 24 -8.071 9.851 -1.608 1.00 0.00 N ATOM 303 CA ASP A 24 -7.606 8.879 -0.634 1.00 0.00 C ATOM 304 C ASP A 24 -7.925 7.468 -1.134 1.00 0.00 C ATOM 305 O ASP A 24 -9.083 7.144 -1.391 1.00 0.00 O ATOM 306 CB ASP A 24 -8.304 9.072 0.714 1.00 0.00 C ATOM 307 CG ASP A 24 -8.024 10.410 1.401 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.917 11.414 0.665 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.925 10.397 2.647 1.00 0.00 O ATOM 0 H ASP A 24 -8.997 10.234 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.532 9.017 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.380 8.974 0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.000 8.267 1.382 1.00 0.00 H new ATOM 314 N LEU A 25 -6.876 6.667 -1.257 1.00 0.00 N ATOM 315 CA LEU A 25 -7.030 5.299 -1.721 1.00 0.00 C ATOM 316 C LEU A 25 -7.855 4.509 -0.704 1.00 0.00 C ATOM 317 O LEU A 25 -7.767 4.757 0.498 1.00 0.00 O ATOM 318 CB LEU A 25 -5.665 4.678 -2.021 1.00 0.00 C ATOM 319 CG LEU A 25 -5.683 3.353 -2.785 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.123 3.562 -4.235 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.329 2.648 -2.692 1.00 0.00 C ATOM 0 H LEU A 25 -5.917 6.940 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.579 5.276 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.079 5.397 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.143 4.523 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.419 2.699 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.127 2.604 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.126 3.989 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.430 4.242 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.369 1.709 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.556 3.287 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.095 2.445 -1.647 1.00 0.00 H new ATOM 333 N THR A 26 -8.639 3.575 -1.222 1.00 0.00 N ATOM 334 CA THR A 26 -9.479 2.747 -0.373 1.00 0.00 C ATOM 335 C THR A 26 -9.028 1.286 -0.440 1.00 0.00 C ATOM 336 O THR A 26 -8.933 0.711 -1.523 1.00 0.00 O ATOM 337 CB THR A 26 -10.933 2.955 -0.801 1.00 0.00 C ATOM 338 OG1 THR A 26 -10.944 2.598 -2.181 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.340 4.429 -0.794 1.00 0.00 C ATOM 0 H THR A 26 -8.710 3.373 -2.219 1.00 0.00 H new ATOM 0 HA THR A 26 -9.389 3.034 0.675 1.00 0.00 H new ATOM 0 HB THR A 26 -11.590 2.394 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.246 1.932 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.381 4.521 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.225 4.833 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.705 4.985 -1.483 1.00 0.00 H new ATOM 347 N PHE A 27 -8.764 0.728 0.733 1.00 0.00 N ATOM 348 CA PHE A 27 -8.327 -0.654 0.821 1.00 0.00 C ATOM 349 C PHE A 27 -8.687 -1.257 2.181 1.00 0.00 C ATOM 350 O PHE A 27 -9.139 -0.548 3.078 1.00 0.00 O ATOM 351 CB PHE A 27 -6.805 -0.653 0.665 1.00 0.00 C ATOM 352 CG PHE A 27 -6.077 0.246 1.668 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.744 -0.236 2.895 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.763 1.525 1.331 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.069 0.598 3.826 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.088 2.359 2.261 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.755 1.878 3.489 1.00 0.00 C ATOM 0 H PHE A 27 -8.845 1.208 1.629 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.815 -1.248 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.438 -1.674 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.554 -0.331 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.993 -1.253 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.027 1.907 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.805 0.216 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.839 3.375 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.241 2.512 4.196 1.00 0.00 H new ATOM 367 N THR A 28 -8.474 -2.561 2.290 1.00 0.00 N ATOM 368 CA THR A 28 -8.771 -3.267 3.524 1.00 0.00 C ATOM 369 C THR A 28 -7.495 -3.877 4.109 1.00 0.00 C ATOM 370 O THR A 28 -6.421 -3.763 3.520 1.00 0.00 O ATOM 371 CB THR A 28 -9.858 -4.301 3.227 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.499 -4.826 1.952 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.228 -3.661 2.994 1.00 0.00 C ATOM 0 H THR A 28 -8.099 -3.146 1.543 1.00 0.00 H new ATOM 0 HA THR A 28 -9.149 -2.587 4.288 1.00 0.00 H new ATOM 0 HB THR A 28 -9.923 -5.006 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.151 -5.506 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.963 -4.439 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.527 -3.107 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.172 -2.980 2.144 1.00 0.00 H new ATOM 381 N GLU A 29 -7.656 -4.511 5.261 1.00 0.00 N ATOM 382 CA GLU A 29 -6.531 -5.139 5.933 1.00 0.00 C ATOM 383 C GLU A 29 -6.165 -6.453 5.240 1.00 0.00 C ATOM 384 O GLU A 29 -7.037 -7.272 4.953 1.00 0.00 O ATOM 385 CB GLU A 29 -6.834 -5.367 7.415 1.00 0.00 C ATOM 386 CG GLU A 29 -5.901 -6.425 8.009 1.00 0.00 C ATOM 387 CD GLU A 29 -6.634 -7.753 8.208 1.00 0.00 C ATOM 388 OE1 GLU A 29 -6.970 -8.376 7.178 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.843 -8.115 9.386 1.00 0.00 O ATOM 0 H GLU A 29 -8.548 -4.603 5.746 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.675 -4.467 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.722 -4.430 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.870 -5.683 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.046 -6.573 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.510 -6.075 8.964 1.00 0.00 H new ATOM 396 N GLY A 30 -4.874 -6.614 4.990 1.00 0.00 N ATOM 397 CA GLY A 30 -4.382 -7.815 4.335 1.00 0.00 C ATOM 398 C GLY A 30 -4.131 -7.565 2.847 1.00 0.00 C ATOM 399 O GLY A 30 -3.323 -8.253 2.226 1.00 0.00 O ATOM 0 H GLY A 30 -4.153 -5.933 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.459 -8.142 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.106 -8.621 4.455 1.00 0.00 H new ATOM 403 N GLU A 31 -4.840 -6.578 2.318 1.00 0.00 N ATOM 404 CA GLU A 31 -4.704 -6.228 0.914 1.00 0.00 C ATOM 405 C GLU A 31 -3.259 -5.837 0.602 1.00 0.00 C ATOM 406 O GLU A 31 -2.485 -5.532 1.508 1.00 0.00 O ATOM 407 CB GLU A 31 -5.671 -5.105 0.533 1.00 0.00 C ATOM 408 CG GLU A 31 -7.124 -5.576 0.628 1.00 0.00 C ATOM 409 CD GLU A 31 -8.044 -4.689 -0.213 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.956 -3.454 -0.038 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.814 -5.265 -1.011 1.00 0.00 O ATOM 0 H GLU A 31 -5.510 -6.010 2.836 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.960 -7.102 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.518 -4.250 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.460 -4.767 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.198 -6.609 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.448 -5.559 1.669 1.00 0.00 H new ATOM 418 N GLU A 32 -2.938 -5.859 -0.683 1.00 0.00 N ATOM 419 CA GLU A 32 -1.599 -5.510 -1.127 1.00 0.00 C ATOM 420 C GLU A 32 -1.622 -4.188 -1.897 1.00 0.00 C ATOM 421 O GLU A 32 -2.073 -4.140 -3.040 1.00 0.00 O ATOM 422 CB GLU A 32 -0.994 -6.629 -1.976 1.00 0.00 C ATOM 423 CG GLU A 32 0.164 -7.310 -1.243 1.00 0.00 C ATOM 424 CD GLU A 32 0.793 -8.404 -2.107 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.239 -8.059 -3.223 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.815 -9.560 -1.633 1.00 0.00 O ATOM 0 H GLU A 32 -3.582 -6.113 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.967 -5.384 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.762 -7.365 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.640 -6.221 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.919 -6.569 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.196 -7.741 -0.309 1.00 0.00 H new ATOM 433 N ILE A 33 -1.130 -3.148 -1.240 1.00 0.00 N ATOM 434 CA ILE A 33 -1.089 -1.830 -1.848 1.00 0.00 C ATOM 435 C ILE A 33 0.282 -1.613 -2.492 1.00 0.00 C ATOM 436 O ILE A 33 1.312 -1.845 -1.861 1.00 0.00 O ATOM 437 CB ILE A 33 -1.465 -0.755 -0.826 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.904 -0.941 -0.340 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.226 0.646 -1.390 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.959 -1.035 1.186 1.00 0.00 C ATOM 0 H ILE A 33 -0.756 -3.192 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.831 -1.754 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.815 -0.866 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.517 -0.106 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.326 -1.845 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.501 1.391 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.173 0.761 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.833 0.787 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.993 -1.167 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.365 -1.886 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.559 -0.120 1.622 1.00 0.00 H new ATOM 452 N LEU A 34 0.250 -1.170 -3.741 1.00 0.00 N ATOM 453 CA LEU A 34 1.478 -0.919 -4.477 1.00 0.00 C ATOM 454 C LEU A 34 1.826 0.568 -4.388 1.00 0.00 C ATOM 455 O LEU A 34 1.238 1.390 -5.088 1.00 0.00 O ATOM 456 CB LEU A 34 1.357 -1.438 -5.911 1.00 0.00 C ATOM 457 CG LEU A 34 2.653 -1.466 -6.725 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.750 -2.230 -5.982 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.408 -2.033 -8.125 1.00 0.00 C ATOM 0 H LEU A 34 -0.606 -0.979 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 34 2.308 -1.468 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.950 -2.449 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.632 -0.820 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 34 3.002 -0.441 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.660 -2.235 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.948 -1.745 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.425 -3.256 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.344 -2.042 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.024 -3.050 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.681 -1.411 -8.647 1.00 0.00 H new ATOM 471 N VAL A 35 2.782 0.868 -3.520 1.00 0.00 N ATOM 472 CA VAL A 35 3.216 2.241 -3.330 1.00 0.00 C ATOM 473 C VAL A 35 4.181 2.627 -4.453 1.00 0.00 C ATOM 474 O VAL A 35 5.130 1.897 -4.738 1.00 0.00 O ATOM 475 CB VAL A 35 3.822 2.411 -1.936 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.109 3.884 -1.638 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.914 1.801 -0.866 1.00 0.00 C ATOM 0 H VAL A 35 3.268 0.183 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 35 2.366 2.921 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 35 4.771 1.875 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.539 3.976 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.812 4.274 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.180 4.453 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.368 1.935 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.943 2.296 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.784 0.737 -1.063 1.00 0.00 H new ATOM 487 N THR A 36 3.907 3.772 -5.059 1.00 0.00 N ATOM 488 CA THR A 36 4.739 4.263 -6.144 1.00 0.00 C ATOM 489 C THR A 36 5.407 5.582 -5.749 1.00 0.00 C ATOM 490 O THR A 36 6.529 5.864 -6.167 1.00 0.00 O ATOM 491 CB THR A 36 3.867 4.374 -7.396 1.00 0.00 C ATOM 492 OG1 THR A 36 2.838 5.286 -7.023 1.00 0.00 O ATOM 493 CG2 THR A 36 3.120 3.075 -7.706 1.00 0.00 C ATOM 0 H THR A 36 3.120 4.375 -4.819 1.00 0.00 H new ATOM 0 HA THR A 36 5.555 3.574 -6.360 1.00 0.00 H new ATOM 0 HB THR A 36 4.489 4.647 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.228 5.417 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.516 3.208 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.839 2.272 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.472 2.819 -6.868 1.00 0.00 H new ATOM 501 N GLN A 37 4.688 6.356 -4.949 1.00 0.00 N ATOM 502 CA GLN A 37 5.196 7.638 -4.493 1.00 0.00 C ATOM 503 C GLN A 37 4.996 7.782 -2.983 1.00 0.00 C ATOM 504 O GLN A 37 3.940 7.436 -2.457 1.00 0.00 O ATOM 505 CB GLN A 37 4.530 8.791 -5.247 1.00 0.00 C ATOM 506 CG GLN A 37 4.965 8.812 -6.714 1.00 0.00 C ATOM 507 CD GLN A 37 3.811 9.243 -7.622 1.00 0.00 C ATOM 508 OE1 GLN A 37 2.651 8.962 -7.370 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.193 9.938 -8.689 1.00 0.00 N ATOM 0 H GLN A 37 3.757 6.119 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 37 6.265 7.679 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.446 8.691 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.790 9.738 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.805 9.495 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.313 7.822 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.182 10.138 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.497 10.271 -9.357 1.00 0.00 H new ATOM 518 N LYS A 38 6.028 8.294 -2.328 1.00 0.00 N ATOM 519 CA LYS A 38 5.979 8.488 -0.889 1.00 0.00 C ATOM 520 C LYS A 38 6.057 9.984 -0.578 1.00 0.00 C ATOM 521 O LYS A 38 7.134 10.575 -0.619 1.00 0.00 O ATOM 522 CB LYS A 38 7.065 7.659 -0.200 1.00 0.00 C ATOM 523 CG LYS A 38 6.901 6.171 -0.513 1.00 0.00 C ATOM 524 CD LYS A 38 7.496 5.307 0.600 1.00 0.00 C ATOM 525 CE LYS A 38 8.000 3.972 0.049 1.00 0.00 C ATOM 526 NZ LYS A 38 9.361 4.124 -0.513 1.00 0.00 N ATOM 0 H LYS A 38 6.903 8.580 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 38 5.032 8.127 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.048 7.997 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.017 7.815 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.844 5.936 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.390 5.939 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.317 5.840 1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.743 5.127 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.009 3.225 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.320 3.610 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.813 3.190 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.300 4.553 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.927 4.736 0.109 1.00 0.00 H new ATOM 540 N ASP A 39 4.900 10.553 -0.272 1.00 0.00 N ATOM 541 CA ASP A 39 4.823 11.969 0.046 1.00 0.00 C ATOM 542 C ASP A 39 4.762 12.143 1.565 1.00 0.00 C ATOM 543 O ASP A 39 3.716 11.931 2.176 1.00 0.00 O ATOM 544 CB ASP A 39 3.565 12.600 -0.553 1.00 0.00 C ATOM 545 CG ASP A 39 3.732 14.043 -1.035 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.623 14.725 -0.485 1.00 0.00 O ATOM 547 OD2 ASP A 39 2.965 14.430 -1.942 1.00 0.00 O ATOM 0 H ASP A 39 4.008 10.059 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 39 5.704 12.457 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.234 11.988 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.772 12.572 0.194 1.00 0.00 H new ATOM 552 N GLY A 40 5.897 12.527 2.130 1.00 0.00 N ATOM 553 CA GLY A 40 5.987 12.732 3.566 1.00 0.00 C ATOM 554 C GLY A 40 5.577 11.469 4.326 1.00 0.00 C ATOM 555 O GLY A 40 6.195 10.417 4.169 1.00 0.00 O ATOM 0 H GLY A 40 6.762 12.702 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.007 13.008 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.345 13.562 3.860 1.00 0.00 H new ATOM 559 N GLU A 41 4.538 11.615 5.135 1.00 0.00 N ATOM 560 CA GLU A 41 4.038 10.499 5.921 1.00 0.00 C ATOM 561 C GLU A 41 2.989 9.719 5.127 1.00 0.00 C ATOM 562 O GLU A 41 2.938 8.492 5.196 1.00 0.00 O ATOM 563 CB GLU A 41 3.469 10.981 7.257 1.00 0.00 C ATOM 564 CG GLU A 41 4.557 11.633 8.113 1.00 0.00 C ATOM 565 CD GLU A 41 4.965 10.719 9.270 1.00 0.00 C ATOM 566 OE1 GLU A 41 4.112 10.514 10.160 1.00 0.00 O ATOM 567 OE2 GLU A 41 6.122 10.247 9.239 1.00 0.00 O ATOM 0 H GLU A 41 4.028 12.489 5.263 1.00 0.00 H new ATOM 0 HA GLU A 41 4.871 9.831 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.666 11.695 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.033 10.140 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.427 11.854 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.195 12.583 8.506 1.00 0.00 H new ATOM 574 N TRP A 42 2.176 10.463 4.391 1.00 0.00 N ATOM 575 CA TRP A 42 1.130 9.856 3.585 1.00 0.00 C ATOM 576 C TRP A 42 1.732 9.490 2.227 1.00 0.00 C ATOM 577 O TRP A 42 2.048 10.369 1.427 1.00 0.00 O ATOM 578 CB TRP A 42 -0.082 10.783 3.471 1.00 0.00 C ATOM 579 CG TRP A 42 -0.889 10.914 4.764 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.614 11.672 5.835 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.122 10.234 5.081 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.576 11.530 6.815 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.522 10.628 6.341 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.874 9.316 4.327 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.686 10.155 6.959 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.034 8.852 4.958 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.451 9.239 6.227 1.00 0.00 C ATOM 0 H TRP A 42 2.221 11.481 4.336 1.00 0.00 H new ATOM 0 HA TRP A 42 0.758 8.947 4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.258 11.772 3.165 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.737 10.413 2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.251 12.313 5.920 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.590 12.000 7.720 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.580 8.994 3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.978 10.479 7.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.648 8.144 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.361 8.835 6.646 1.00 0.00 H new ATOM 598 N TRP A 43 1.874 8.191 2.009 1.00 0.00 N ATOM 599 CA TRP A 43 2.432 7.697 0.762 1.00 0.00 C ATOM 600 C TRP A 43 1.273 7.401 -0.191 1.00 0.00 C ATOM 601 O TRP A 43 0.155 7.138 0.249 1.00 0.00 O ATOM 602 CB TRP A 43 3.331 6.483 1.006 1.00 0.00 C ATOM 603 CG TRP A 43 4.397 6.704 2.081 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.964 7.859 2.456 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.005 5.691 2.910 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.889 7.666 3.461 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.915 6.305 3.746 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.793 4.302 2.952 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.685 5.609 4.685 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.571 3.620 3.895 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.491 4.224 4.744 1.00 0.00 C ATOM 0 H TRP A 43 1.612 7.465 2.676 1.00 0.00 H new ATOM 0 HA TRP A 43 3.076 8.448 0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.709 5.635 1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.823 6.214 0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.726 8.820 2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.450 8.388 3.912 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.086 3.801 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.390 6.113 5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.448 2.550 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.054 3.627 5.446 1.00 0.00 H new ATOM 622 N THR A 44 1.579 7.454 -1.479 1.00 0.00 N ATOM 623 CA THR A 44 0.576 7.194 -2.498 1.00 0.00 C ATOM 624 C THR A 44 0.601 5.720 -2.907 1.00 0.00 C ATOM 625 O THR A 44 1.593 5.241 -3.455 1.00 0.00 O ATOM 626 CB THR A 44 0.827 8.153 -3.664 1.00 0.00 C ATOM 627 OG1 THR A 44 0.530 9.439 -3.126 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.188 7.978 -4.795 1.00 0.00 C ATOM 0 H THR A 44 2.507 7.673 -1.840 1.00 0.00 H new ATOM 0 HA THR A 44 -0.430 7.376 -2.119 1.00 0.00 H new ATOM 0 HB THR A 44 1.833 7.996 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.668 10.122 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.035 8.682 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.132 6.960 -5.180 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.192 8.167 -4.415 1.00 0.00 H new ATOM 636 N GLY A 45 -0.502 5.042 -2.625 1.00 0.00 N ATOM 637 CA GLY A 45 -0.619 3.633 -2.957 1.00 0.00 C ATOM 638 C GLY A 45 -1.486 3.433 -4.202 1.00 0.00 C ATOM 639 O GLY A 45 -2.209 4.340 -4.612 1.00 0.00 O ATOM 0 H GLY A 45 -1.322 5.443 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.372 3.213 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.054 3.092 -2.116 1.00 0.00 H new ATOM 643 N SER A 46 -1.384 2.240 -4.770 1.00 0.00 N ATOM 644 CA SER A 46 -2.150 1.909 -5.959 1.00 0.00 C ATOM 645 C SER A 46 -2.666 0.472 -5.868 1.00 0.00 C ATOM 646 O SER A 46 -1.997 -0.397 -5.309 1.00 0.00 O ATOM 647 CB SER A 46 -1.309 2.092 -7.224 1.00 0.00 C ATOM 648 OG SER A 46 -2.107 2.449 -8.349 1.00 0.00 O ATOM 0 H SER A 46 -0.782 1.491 -4.428 1.00 0.00 H new ATOM 0 HA SER A 46 -3.000 2.589 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.559 2.864 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.772 1.168 -7.439 1.00 0.00 H new ATOM 0 HG SER A 46 -3.052 2.289 -8.144 1.00 0.00 H new ATOM 654 N ILE A 47 -3.850 0.265 -6.425 1.00 0.00 N ATOM 655 CA ILE A 47 -4.462 -1.053 -6.412 1.00 0.00 C ATOM 656 C ILE A 47 -5.108 -1.323 -7.773 1.00 0.00 C ATOM 657 O ILE A 47 -6.108 -0.699 -8.125 1.00 0.00 O ATOM 658 CB ILE A 47 -5.431 -1.182 -5.236 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.683 -1.145 -3.902 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.296 -2.437 -5.373 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.656 -1.224 -2.724 1.00 0.00 C ATOM 0 H ILE A 47 -4.402 0.987 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.706 -1.823 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.103 -0.324 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.979 -1.976 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.099 -0.227 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.976 -2.505 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.873 -2.382 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.656 -3.319 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.098 -1.196 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.343 -0.379 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.222 -2.154 -2.781 1.00 0.00 H new ATOM 673 N GLY A 48 -4.509 -2.254 -8.502 1.00 0.00 N ATOM 674 CA GLY A 48 -5.013 -2.614 -9.816 1.00 0.00 C ATOM 675 C GLY A 48 -4.927 -1.430 -10.780 1.00 0.00 C ATOM 676 O GLY A 48 -4.061 -1.398 -11.654 1.00 0.00 O ATOM 0 H GLY A 48 -3.680 -2.769 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.440 -3.452 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.048 -2.946 -9.734 1.00 0.00 H new ATOM 680 N ASP A 49 -5.835 -0.484 -10.589 1.00 0.00 N ATOM 681 CA ASP A 49 -5.871 0.700 -11.431 1.00 0.00 C ATOM 682 C ASP A 49 -6.361 1.892 -10.606 1.00 0.00 C ATOM 683 O ASP A 49 -6.859 2.871 -11.159 1.00 0.00 O ATOM 684 CB ASP A 49 -6.833 0.510 -12.605 1.00 0.00 C ATOM 685 CG ASP A 49 -6.449 1.260 -13.883 1.00 0.00 C ATOM 686 OD1 ASP A 49 -5.539 0.762 -14.581 1.00 0.00 O ATOM 687 OD2 ASP A 49 -7.074 2.313 -14.133 1.00 0.00 O ATOM 0 H ASP A 49 -6.551 -0.513 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.865 0.874 -11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.900 -0.554 -12.832 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.827 0.833 -12.297 1.00 0.00 H new ATOM 692 N ARG A 50 -6.203 1.769 -9.296 1.00 0.00 N ATOM 693 CA ARG A 50 -6.623 2.825 -8.390 1.00 0.00 C ATOM 694 C ARG A 50 -5.404 3.568 -7.839 1.00 0.00 C ATOM 695 O ARG A 50 -4.341 2.976 -7.659 1.00 0.00 O ATOM 696 CB ARG A 50 -7.436 2.258 -7.224 1.00 0.00 C ATOM 697 CG ARG A 50 -8.697 1.552 -7.727 1.00 0.00 C ATOM 698 CD ARG A 50 -8.710 0.083 -7.299 1.00 0.00 C ATOM 699 NE ARG A 50 -10.087 -0.328 -6.946 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.474 -1.601 -6.788 1.00 0.00 C ATOM 701 NH1 ARG A 50 -9.590 -2.595 -6.951 1.00 0.00 N ATOM 702 NH2 ARG A 50 -11.745 -1.881 -6.467 1.00 0.00 N ATOM 0 H ARG A 50 -5.790 0.955 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.250 3.516 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.824 1.557 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.713 3.063 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.581 2.056 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.746 1.618 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.330 -0.543 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.048 -0.062 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.785 0.404 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.623 -2.382 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.884 -3.564 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.418 -1.125 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.039 -2.850 -6.347 1.00 0.00 H new ATOM 716 N SER A 51 -5.599 4.854 -7.587 1.00 0.00 N ATOM 717 CA SER A 51 -4.529 5.683 -7.060 1.00 0.00 C ATOM 718 C SER A 51 -5.081 6.640 -6.002 1.00 0.00 C ATOM 719 O SER A 51 -6.195 7.144 -6.136 1.00 0.00 O ATOM 720 CB SER A 51 -3.840 6.469 -8.178 1.00 0.00 C ATOM 721 OG SER A 51 -4.621 6.498 -9.370 1.00 0.00 O ATOM 0 H SER A 51 -6.482 5.342 -7.738 1.00 0.00 H new ATOM 0 HA SER A 51 -3.787 5.031 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.653 7.489 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.870 6.021 -8.391 1.00 0.00 H new ATOM 0 HG SER A 51 -4.148 7.010 -10.059 1.00 0.00 H new ATOM 727 N GLY A 52 -4.276 6.861 -4.972 1.00 0.00 N ATOM 728 CA GLY A 52 -4.671 7.748 -3.891 1.00 0.00 C ATOM 729 C GLY A 52 -3.614 7.767 -2.785 1.00 0.00 C ATOM 730 O GLY A 52 -2.527 7.215 -2.949 1.00 0.00 O ATOM 0 H GLY A 52 -3.353 6.441 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.816 8.757 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.627 7.423 -3.480 1.00 0.00 H new ATOM 734 N ILE A 53 -3.971 8.409 -1.681 1.00 0.00 N ATOM 735 CA ILE A 53 -3.067 8.507 -0.548 1.00 0.00 C ATOM 736 C ILE A 53 -3.524 7.544 0.549 1.00 0.00 C ATOM 737 O ILE A 53 -4.669 7.093 0.546 1.00 0.00 O ATOM 738 CB ILE A 53 -2.949 9.959 -0.081 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.305 10.500 0.376 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.319 10.835 -1.166 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.130 11.654 1.366 1.00 0.00 C ATOM 0 H ILE A 53 -4.873 8.866 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.060 8.206 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.284 9.987 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.874 10.841 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.881 9.701 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.247 11.862 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.322 10.462 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.939 10.806 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.109 12.020 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.581 11.303 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.575 12.462 0.889 1.00 0.00 H new ATOM 753 N PHE A 54 -2.607 7.256 1.460 1.00 0.00 N ATOM 754 CA PHE A 54 -2.902 6.354 2.561 1.00 0.00 C ATOM 755 C PHE A 54 -1.898 6.534 3.701 1.00 0.00 C ATOM 756 O PHE A 54 -0.815 7.082 3.500 1.00 0.00 O ATOM 757 CB PHE A 54 -2.786 4.930 2.015 1.00 0.00 C ATOM 758 CG PHE A 54 -1.355 4.507 1.677 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.478 4.216 2.674 1.00 0.00 C ATOM 760 CD2 PHE A 54 -0.960 4.423 0.378 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.850 3.824 2.360 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.368 4.031 0.064 1.00 0.00 C ATOM 763 CZ PHE A 54 1.245 3.740 1.061 1.00 0.00 C ATOM 0 H PHE A 54 -1.659 7.631 1.459 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.898 6.559 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.195 4.236 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.400 4.844 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.791 4.283 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.656 4.654 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.546 3.593 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.681 3.964 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.255 3.442 0.822 1.00 0.00 H new ATOM 773 N PRO A 55 -2.303 6.049 4.906 1.00 0.00 N ATOM 774 CA PRO A 55 -1.451 6.151 6.078 1.00 0.00 C ATOM 775 C PRO A 55 -0.308 5.136 6.016 1.00 0.00 C ATOM 776 O PRO A 55 -0.546 3.931 5.956 1.00 0.00 O ATOM 777 CB PRO A 55 -2.381 5.927 7.260 1.00 0.00 C ATOM 778 CG PRO A 55 -3.619 5.250 6.694 1.00 0.00 C ATOM 779 CD PRO A 55 -3.578 5.394 5.182 1.00 0.00 C ATOM 0 HA PRO A 55 -0.956 7.119 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.907 5.303 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.637 6.872 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.642 4.198 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.522 5.708 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.639 4.423 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.416 5.989 4.818 1.00 0.00 H new ATOM 787 N SER A 56 0.908 5.661 6.031 1.00 0.00 N ATOM 788 CA SER A 56 2.089 4.815 5.977 1.00 0.00 C ATOM 789 C SER A 56 2.241 4.045 7.290 1.00 0.00 C ATOM 790 O SER A 56 3.106 3.178 7.408 1.00 0.00 O ATOM 791 CB SER A 56 3.345 5.642 5.698 1.00 0.00 C ATOM 792 OG SER A 56 3.666 6.509 6.782 1.00 0.00 O ATOM 0 H SER A 56 1.102 6.661 6.080 1.00 0.00 H new ATOM 0 HA SER A 56 1.965 4.105 5.159 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.184 4.973 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.197 6.232 4.794 1.00 0.00 H new ATOM 0 HG SER A 56 3.484 7.437 6.524 1.00 0.00 H new ATOM 798 N ASN A 57 1.388 4.388 8.243 1.00 0.00 N ATOM 799 CA ASN A 57 1.417 3.739 9.543 1.00 0.00 C ATOM 800 C ASN A 57 0.386 2.609 9.567 1.00 0.00 C ATOM 801 O ASN A 57 0.190 1.965 10.597 1.00 0.00 O ATOM 802 CB ASN A 57 1.064 4.725 10.659 1.00 0.00 C ATOM 803 CG ASN A 57 1.234 4.078 12.035 1.00 0.00 C ATOM 804 OD1 ASN A 57 0.111 3.575 12.539 1.00 0.00 O flip ATOM 805 ND2 ASN A 57 2.313 4.039 12.602 1.00 0.00 N flip ATOM 0 H ASN A 57 0.672 5.107 8.141 1.00 0.00 H new ATOM 0 HA ASN A 57 2.424 3.355 9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.702 5.606 10.586 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.035 5.065 10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.137 4.445 12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.391 3.601 13.520 1.00 0.00 H new ATOM 812 N TYR A 58 -0.245 2.403 8.421 1.00 0.00 N ATOM 813 CA TYR A 58 -1.251 1.361 8.298 1.00 0.00 C ATOM 814 C TYR A 58 -0.828 0.309 7.271 1.00 0.00 C ATOM 815 O TYR A 58 -1.566 -0.639 7.008 1.00 0.00 O ATOM 816 CB TYR A 58 -2.521 2.058 7.802 1.00 0.00 C ATOM 817 CG TYR A 58 -3.288 2.804 8.895 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.644 3.749 9.668 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.624 2.532 9.109 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.366 4.451 10.697 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.346 3.235 10.138 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.682 4.159 10.881 1.00 0.00 C ATOM 823 OH TYR A 58 -5.364 4.823 11.853 1.00 0.00 O ATOM 0 H TYR A 58 -0.080 2.939 7.569 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.397 0.854 9.252 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.253 2.763 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.180 1.314 7.353 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.598 3.962 9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.128 1.792 8.505 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.874 5.193 11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.392 3.032 10.315 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.294 4.513 11.870 1.00 0.00 H new ATOM 833 N VAL A 59 0.360 0.511 6.719 1.00 0.00 N ATOM 834 CA VAL A 59 0.890 -0.409 5.728 1.00 0.00 C ATOM 835 C VAL A 59 2.313 -0.812 6.122 1.00 0.00 C ATOM 836 O VAL A 59 3.083 0.014 6.609 1.00 0.00 O ATOM 837 CB VAL A 59 0.811 0.219 4.335 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.634 0.571 3.974 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.715 1.449 4.237 1.00 0.00 C ATOM 0 H VAL A 59 0.970 1.298 6.940 1.00 0.00 H new ATOM 0 HA VAL A 59 0.292 -1.319 5.694 1.00 0.00 H new ATOM 0 HB VAL A 59 1.167 -0.517 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.663 1.016 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.242 -0.333 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.028 1.282 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.641 1.877 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.402 2.190 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.747 1.158 4.431 1.00 0.00 H new ATOM 849 N LYS A 60 2.618 -2.082 5.896 1.00 0.00 N ATOM 850 CA LYS A 60 3.934 -2.604 6.221 1.00 0.00 C ATOM 851 C LYS A 60 4.627 -3.065 4.937 1.00 0.00 C ATOM 852 O LYS A 60 3.968 -3.323 3.931 1.00 0.00 O ATOM 853 CB LYS A 60 3.829 -3.695 7.289 1.00 0.00 C ATOM 854 CG LYS A 60 3.500 -5.050 6.658 1.00 0.00 C ATOM 855 CD LYS A 60 2.952 -6.023 7.703 1.00 0.00 C ATOM 856 CE LYS A 60 3.568 -7.414 7.534 1.00 0.00 C ATOM 857 NZ LYS A 60 3.175 -8.295 8.656 1.00 0.00 N ATOM 0 H LYS A 60 1.976 -2.764 5.492 1.00 0.00 H new ATOM 0 HA LYS A 60 4.557 -1.823 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.768 -3.764 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.057 -3.429 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.768 -4.916 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.396 -5.469 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.165 -5.646 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.868 -6.088 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.242 -7.850 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.654 -7.334 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.601 -9.235 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.508 -7.885 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.139 -8.385 8.680 1.00 0.00 H new ATOM 871 N PRO A 61 5.981 -3.156 5.016 1.00 0.00 N ATOM 872 CA PRO A 61 6.770 -3.581 3.873 1.00 0.00 C ATOM 873 C PRO A 61 6.647 -5.090 3.652 1.00 0.00 C ATOM 874 O PRO A 61 7.016 -5.880 4.519 1.00 0.00 O ATOM 875 CB PRO A 61 8.191 -3.142 4.189 1.00 0.00 C ATOM 876 CG PRO A 61 8.229 -2.905 5.690 1.00 0.00 C ATOM 877 CD PRO A 61 6.795 -2.858 6.191 1.00 0.00 C ATOM 0 HA PRO A 61 6.428 -3.136 2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.910 -3.907 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.450 -2.235 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.781 -3.702 6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.743 -1.971 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.628 -3.588 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.552 -1.879 6.603 1.00 0.00 H new ATOM 885 N LYS A 62 6.127 -5.445 2.486 1.00 0.00 N ATOM 886 CA LYS A 62 5.950 -6.845 2.140 1.00 0.00 C ATOM 887 C LYS A 62 7.292 -7.569 2.263 1.00 0.00 C ATOM 888 O LYS A 62 8.120 -7.508 1.356 1.00 0.00 O ATOM 889 CB LYS A 62 5.304 -6.978 0.759 1.00 0.00 C ATOM 890 CG LYS A 62 4.366 -8.186 0.707 1.00 0.00 C ATOM 891 CD LYS A 62 3.465 -8.128 -0.527 1.00 0.00 C ATOM 892 CE LYS A 62 4.070 -8.921 -1.687 1.00 0.00 C ATOM 893 NZ LYS A 62 5.201 -8.179 -2.288 1.00 0.00 N ATOM 0 H LYS A 62 5.822 -4.787 1.769 1.00 0.00 H new ATOM 0 HA LYS A 62 5.262 -7.326 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.747 -6.070 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.079 -7.082 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.952 -9.105 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.753 -8.214 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.481 -8.529 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.321 -7.090 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.413 -9.893 -1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.308 -9.109 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.963 -7.915 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.387 -7.320 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.049 -8.781 -2.289 1.00 0.00 H new ATOM 907 N ASP A 63 7.465 -8.239 3.393 1.00 0.00 N ATOM 908 CA ASP A 63 8.692 -8.974 3.647 1.00 0.00 C ATOM 909 C ASP A 63 8.943 -9.952 2.497 1.00 0.00 C ATOM 910 O ASP A 63 8.022 -10.294 1.757 1.00 0.00 O ATOM 911 CB ASP A 63 8.591 -9.784 4.942 1.00 0.00 C ATOM 912 CG ASP A 63 8.777 -8.974 6.227 1.00 0.00 C ATOM 913 OD1 ASP A 63 7.866 -8.173 6.529 1.00 0.00 O ATOM 914 OD2 ASP A 63 9.825 -9.174 6.877 1.00 0.00 O ATOM 0 H ASP A 63 6.775 -8.288 4.143 1.00 0.00 H new ATOM 0 HA ASP A 63 9.505 -8.253 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.616 -10.269 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.340 -10.575 4.917 1.00 0.00 H new ATOM 919 N SER A 64 10.194 -10.373 2.383 1.00 0.00 N ATOM 920 CA SER A 64 10.577 -11.304 1.336 1.00 0.00 C ATOM 921 C SER A 64 9.749 -12.586 1.446 1.00 0.00 C ATOM 922 O SER A 64 9.090 -12.988 0.489 1.00 0.00 O ATOM 923 CB SER A 64 12.071 -11.629 1.408 1.00 0.00 C ATOM 924 OG SER A 64 12.806 -10.994 0.366 1.00 0.00 O ATOM 0 H SER A 64 10.955 -10.086 2.999 1.00 0.00 H new ATOM 0 HA SER A 64 10.380 -10.834 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.465 -11.313 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.211 -12.708 1.345 1.00 0.00 H new ATOM 0 HG SER A 64 13.755 -11.225 0.448 1.00 0.00 H new ATOM 930 N GLY A 65 9.811 -13.193 2.623 1.00 0.00 N ATOM 931 CA GLY A 65 9.074 -14.421 2.871 1.00 0.00 C ATOM 932 C GLY A 65 9.961 -15.463 3.556 1.00 0.00 C ATOM 933 O GLY A 65 11.184 -15.422 3.429 1.00 0.00 O ATOM 0 H GLY A 65 10.360 -12.857 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.207 -14.209 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.698 -14.821 1.929 1.00 0.00 H new ATOM 937 N PRO A 66 9.293 -16.396 4.285 1.00 0.00 N ATOM 938 CA PRO A 66 10.007 -17.447 4.990 1.00 0.00 C ATOM 939 C PRO A 66 10.509 -18.516 4.017 1.00 0.00 C ATOM 940 O PRO A 66 11.710 -18.766 3.931 1.00 0.00 O ATOM 941 CB PRO A 66 9.011 -17.987 6.004 1.00 0.00 C ATOM 942 CG PRO A 66 7.641 -17.543 5.519 1.00 0.00 C ATOM 943 CD PRO A 66 7.845 -16.476 4.456 1.00 0.00 C ATOM 0 HA PRO A 66 10.906 -17.084 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.069 -19.074 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.218 -17.597 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.089 -18.389 5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.052 -17.149 6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.350 -16.747 3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.430 -15.519 4.771 1.00 0.00 H new ATOM 951 N SER A 67 9.564 -19.119 3.310 1.00 0.00 N ATOM 952 CA SER A 67 9.896 -20.155 2.348 1.00 0.00 C ATOM 953 C SER A 67 10.762 -19.572 1.229 1.00 0.00 C ATOM 954 O SER A 67 10.680 -18.381 0.932 1.00 0.00 O ATOM 955 CB SER A 67 8.632 -20.790 1.765 1.00 0.00 C ATOM 956 OG SER A 67 8.932 -21.730 0.737 1.00 0.00 O ATOM 0 H SER A 67 8.569 -18.909 3.385 1.00 0.00 H new ATOM 0 HA SER A 67 10.457 -20.934 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.076 -21.287 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.986 -20.009 1.365 1.00 0.00 H new ATOM 0 HG SER A 67 8.099 -22.114 0.392 1.00 0.00 H new ATOM 962 N SER A 68 11.571 -20.439 0.638 1.00 0.00 N ATOM 963 CA SER A 68 12.451 -20.025 -0.441 1.00 0.00 C ATOM 964 C SER A 68 11.877 -20.474 -1.786 1.00 0.00 C ATOM 965 O SER A 68 11.515 -21.638 -1.953 1.00 0.00 O ATOM 966 CB SER A 68 13.860 -20.590 -0.251 1.00 0.00 C ATOM 967 OG SER A 68 14.565 -19.927 0.795 1.00 0.00 O ATOM 0 H SER A 68 11.635 -21.426 0.886 1.00 0.00 H new ATOM 0 HA SER A 68 12.520 -18.937 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.796 -21.655 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.418 -20.493 -1.182 1.00 0.00 H new ATOM 0 HG SER A 68 15.459 -20.318 0.886 1.00 0.00 H new ATOM 973 N GLY A 69 11.810 -19.527 -2.711 1.00 0.00 N ATOM 974 CA GLY A 69 11.285 -19.811 -4.036 1.00 0.00 C ATOM 975 C GLY A 69 12.139 -20.860 -4.751 1.00 0.00 C ATOM 976 O GLY A 69 11.771 -22.033 -4.806 1.00 0.00 O ATOM 0 H GLY A 69 12.111 -18.563 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.258 -20.167 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.260 -18.894 -4.625 1.00 0.00 H new TER 980 GLY A 69