USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 262 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -72:sc= 0.685 USER MOD Single : A 10 GLN : amide:sc= -0.766 K(o=-0.77,f=-0.042) USER MOD Single : A 14 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.75) USER MOD Single : A 18 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.031) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.62!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -76:sc= 1.35! USER MOD Single : A 31 ASN : amide:sc= -2.36 K(o=-2.4,f=-12!) USER MOD Single : A 34 SER OG : rot -6:sc= -0.138 USER MOD Single : A 35 ASN : amide:sc= -0.913 K(o=-0.91,f=-1.7) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.939 -17.791 -2.647 1.00 0.00 N ATOM 2 CA LYS A 1 -13.858 -18.724 -1.487 1.00 0.00 C ATOM 3 C LYS A 1 -13.254 -20.059 -1.928 1.00 0.00 C ATOM 4 O LYS A 1 -13.955 -21.026 -2.151 1.00 0.00 O ATOM 5 CB LYS A 1 -15.306 -18.912 -1.031 1.00 0.00 C ATOM 6 CG LYS A 1 -15.336 -19.169 0.477 1.00 0.00 C ATOM 7 CD LYS A 1 -15.417 -20.675 0.735 1.00 0.00 C ATOM 8 CE LYS A 1 -16.812 -21.181 0.364 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.623 -22.620 0.027 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.350 -16.887 -2.338 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.985 -17.625 -3.026 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.538 -18.209 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.226 -18.339 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.892 -18.025 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.760 -19.748 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.442 -18.756 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.192 -18.666 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.661 -21.197 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.208 -20.887 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.510 -21.058 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.221 -20.628 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.538 -23.037 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.959 -22.706 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.240 -23.123 0.853 1.00 0.00 H new ATOM 25 N CYS A 2 -11.957 -20.119 -2.060 1.00 0.00 N ATOM 26 CA CYS A 2 -11.310 -21.391 -2.493 1.00 0.00 C ATOM 27 C CYS A 2 -11.654 -22.529 -1.524 1.00 0.00 C ATOM 28 O CYS A 2 -12.623 -23.239 -1.705 1.00 0.00 O ATOM 29 CB CYS A 2 -9.805 -21.102 -2.470 1.00 0.00 C ATOM 30 SG CYS A 2 -9.194 -20.904 -4.161 1.00 0.00 S ATOM 0 H CYS A 2 -11.318 -19.343 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.651 -21.706 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.608 -20.198 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.276 -21.917 -1.975 1.00 0.00 H new ATOM 35 N ASN A 3 -10.850 -22.707 -0.505 1.00 0.00 N ATOM 36 CA ASN A 3 -11.074 -23.795 0.493 1.00 0.00 C ATOM 37 C ASN A 3 -9.741 -24.041 1.189 1.00 0.00 C ATOM 38 O ASN A 3 -9.673 -24.433 2.337 1.00 0.00 O ATOM 39 CB ASN A 3 -11.503 -25.030 -0.313 1.00 0.00 C ATOM 40 CG ASN A 3 -11.193 -26.303 0.480 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.075 -26.780 0.472 1.00 0.00 O ATOM 42 ND2 ASN A 3 -12.141 -26.878 1.170 1.00 0.00 N ATOM 0 H ASN A 3 -10.030 -22.130 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.830 -23.555 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.569 -24.979 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.980 -25.050 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.943 -27.726 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.080 -26.479 1.178 1.00 0.00 H new ATOM 49 N THR A 4 -8.678 -23.777 0.482 1.00 0.00 N ATOM 50 CA THR A 4 -7.322 -23.950 1.051 1.00 0.00 C ATOM 51 C THR A 4 -6.842 -22.618 1.604 1.00 0.00 C ATOM 52 O THR A 4 -6.615 -21.677 0.874 1.00 0.00 O ATOM 53 CB THR A 4 -6.456 -24.406 -0.124 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.881 -23.744 -1.307 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.595 -25.920 -0.305 1.00 0.00 C ATOM 0 H THR A 4 -8.697 -23.443 -0.482 1.00 0.00 H new ATOM 0 HA THR A 4 -7.287 -24.670 1.868 1.00 0.00 H new ATOM 0 HB THR A 4 -5.413 -24.161 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.326 -24.033 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.978 -26.245 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.269 -26.426 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.637 -26.168 -0.505 1.00 0.00 H new ATOM 63 N ALA A 5 -6.700 -22.535 2.894 1.00 0.00 N ATOM 64 CA ALA A 5 -6.240 -21.267 3.528 1.00 0.00 C ATOM 65 C ALA A 5 -5.163 -20.593 2.671 1.00 0.00 C ATOM 66 O ALA A 5 -4.988 -19.394 2.718 1.00 0.00 O ATOM 67 CB ALA A 5 -5.662 -21.689 4.879 1.00 0.00 C ATOM 0 H ALA A 5 -6.884 -23.298 3.545 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.051 -20.546 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.300 -20.809 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.437 -22.177 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.836 -22.383 4.721 1.00 0.00 H new ATOM 73 N THR A 6 -4.448 -21.344 1.877 1.00 0.00 N ATOM 74 CA THR A 6 -3.403 -20.712 1.021 1.00 0.00 C ATOM 75 C THR A 6 -4.080 -19.935 -0.109 1.00 0.00 C ATOM 76 O THR A 6 -3.617 -18.894 -0.523 1.00 0.00 O ATOM 77 CB THR A 6 -2.551 -21.859 0.468 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.718 -21.365 -0.572 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.452 -22.964 -0.082 1.00 0.00 C ATOM 0 H THR A 6 -4.540 -22.356 1.784 1.00 0.00 H new ATOM 0 HA THR A 6 -2.782 -20.010 1.577 1.00 0.00 H new ATOM 0 HB THR A 6 -1.937 -22.269 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.170 -22.096 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.837 -23.774 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.089 -23.345 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.073 -22.562 -0.882 1.00 0.00 H new ATOM 87 N CYS A 7 -5.193 -20.420 -0.589 1.00 0.00 N ATOM 88 CA CYS A 7 -5.920 -19.695 -1.667 1.00 0.00 C ATOM 89 C CYS A 7 -6.902 -18.721 -1.028 1.00 0.00 C ATOM 90 O CYS A 7 -7.089 -17.611 -1.488 1.00 0.00 O ATOM 91 CB CYS A 7 -6.663 -20.771 -2.459 1.00 0.00 C ATOM 92 SG CYS A 7 -7.387 -20.021 -3.945 1.00 0.00 S ATOM 0 H CYS A 7 -5.630 -21.288 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.255 -19.124 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.979 -21.573 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.444 -21.218 -1.844 1.00 0.00 H new ATOM 97 N ALA A 8 -7.517 -19.124 0.050 1.00 0.00 N ATOM 98 CA ALA A 8 -8.471 -18.219 0.742 1.00 0.00 C ATOM 99 C ALA A 8 -7.726 -16.963 1.185 1.00 0.00 C ATOM 100 O ALA A 8 -8.079 -15.862 0.818 1.00 0.00 O ATOM 101 CB ALA A 8 -8.971 -19.008 1.952 1.00 0.00 C ATOM 0 H ALA A 8 -7.399 -20.041 0.480 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.300 -17.907 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.682 -18.402 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.461 -19.921 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.127 -19.265 2.593 1.00 0.00 H new ATOM 107 N THR A 9 -6.680 -17.120 1.952 1.00 0.00 N ATOM 108 CA THR A 9 -5.907 -15.925 2.385 1.00 0.00 C ATOM 109 C THR A 9 -5.371 -15.205 1.147 1.00 0.00 C ATOM 110 O THR A 9 -5.340 -13.991 1.089 1.00 0.00 O ATOM 111 CB THR A 9 -4.756 -16.462 3.238 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.951 -17.331 2.454 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.314 -17.223 4.442 1.00 0.00 C ATOM 0 H THR A 9 -6.332 -18.016 2.294 1.00 0.00 H new ATOM 0 HA THR A 9 -6.513 -15.215 2.949 1.00 0.00 H new ATOM 0 HB THR A 9 -4.151 -15.628 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.436 -18.166 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.490 -17.603 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.926 -16.552 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.924 -18.057 4.095 1.00 0.00 H new ATOM 121 N GLN A 10 -4.950 -15.943 0.151 1.00 0.00 N ATOM 122 CA GLN A 10 -4.425 -15.288 -1.075 1.00 0.00 C ATOM 123 C GLN A 10 -5.575 -14.685 -1.886 1.00 0.00 C ATOM 124 O GLN A 10 -5.386 -13.786 -2.684 1.00 0.00 O ATOM 125 CB GLN A 10 -3.732 -16.397 -1.864 1.00 0.00 C ATOM 126 CG GLN A 10 -2.833 -15.776 -2.934 1.00 0.00 C ATOM 127 CD GLN A 10 -1.397 -15.713 -2.416 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.458 -15.783 -3.184 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.183 -15.586 -1.135 1.00 0.00 N ATOM 0 H GLN A 10 -4.949 -16.963 0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.739 -14.473 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.140 -17.020 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.474 -17.046 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.876 -16.367 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.185 -14.775 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.971 -15.527 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.228 -15.546 -0.779 1.00 0.00 H new ATOM 138 N ARG A 11 -6.777 -15.138 -1.658 1.00 0.00 N ATOM 139 CA ARG A 11 -7.933 -14.560 -2.391 1.00 0.00 C ATOM 140 C ARG A 11 -8.443 -13.423 -1.541 1.00 0.00 C ATOM 141 O ARG A 11 -8.718 -12.333 -2.002 1.00 0.00 O ATOM 142 CB ARG A 11 -8.963 -15.685 -2.493 1.00 0.00 C ATOM 143 CG ARG A 11 -10.119 -15.237 -3.388 1.00 0.00 C ATOM 144 CD ARG A 11 -9.891 -15.752 -4.811 1.00 0.00 C ATOM 145 NE ARG A 11 -9.255 -14.614 -5.532 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.124 -14.657 -6.830 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.963 -15.803 -7.433 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.156 -13.552 -7.526 1.00 0.00 N ATOM 0 H ARG A 11 -7.006 -15.881 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.698 -14.186 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.498 -16.582 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.335 -15.943 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.063 -15.618 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.191 -14.149 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.247 -16.632 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.830 -16.043 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.922 -13.802 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.939 -16.666 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.861 -15.836 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.283 -12.656 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.054 -13.585 -8.540 1.00 0.00 H new ATOM 162 N LEU A 12 -8.509 -13.679 -0.275 1.00 0.00 N ATOM 163 CA LEU A 12 -8.929 -12.642 0.681 1.00 0.00 C ATOM 164 C LEU A 12 -7.946 -11.479 0.596 1.00 0.00 C ATOM 165 O LEU A 12 -8.325 -10.324 0.596 1.00 0.00 O ATOM 166 CB LEU A 12 -8.840 -13.346 2.027 1.00 0.00 C ATOM 167 CG LEU A 12 -10.196 -13.958 2.381 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.988 -15.349 2.982 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.905 -13.062 3.401 1.00 0.00 C ATOM 0 H LEU A 12 -8.285 -14.582 0.143 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.924 -12.235 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.078 -14.124 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.537 -12.638 2.799 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.805 -14.040 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.955 -15.785 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.481 -15.986 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.380 -15.269 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.872 -13.495 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.295 -12.982 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.053 -12.070 2.973 1.00 0.00 H new ATOM 181 N ALA A 13 -6.683 -11.784 0.489 1.00 0.00 N ATOM 182 CA ALA A 13 -5.668 -10.706 0.364 1.00 0.00 C ATOM 183 C ALA A 13 -5.880 -9.997 -0.972 1.00 0.00 C ATOM 184 O ALA A 13 -5.595 -8.827 -1.127 1.00 0.00 O ATOM 185 CB ALA A 13 -4.317 -11.421 0.391 1.00 0.00 C ATOM 0 H ALA A 13 -6.311 -12.734 0.483 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.731 -9.959 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.515 -10.688 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.211 -11.963 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.260 -12.123 -0.441 1.00 0.00 H new ATOM 191 N ASN A 14 -6.401 -10.710 -1.936 1.00 0.00 N ATOM 192 CA ASN A 14 -6.663 -10.102 -3.267 1.00 0.00 C ATOM 193 C ASN A 14 -7.561 -8.884 -3.089 1.00 0.00 C ATOM 194 O ASN A 14 -7.287 -7.817 -3.602 1.00 0.00 O ATOM 195 CB ASN A 14 -7.383 -11.186 -4.069 1.00 0.00 C ATOM 196 CG ASN A 14 -7.096 -10.996 -5.560 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.007 -10.937 -6.363 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.860 -10.899 -5.967 1.00 0.00 N ATOM 0 H ASN A 14 -6.657 -11.694 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.753 -9.774 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.050 -12.173 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.456 -11.136 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.658 -10.774 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.096 -10.948 -5.293 1.00 0.00 H new ATOM 205 N PHE A 15 -8.622 -9.028 -2.342 1.00 0.00 N ATOM 206 CA PHE A 15 -9.514 -7.864 -2.113 1.00 0.00 C ATOM 207 C PHE A 15 -8.758 -6.855 -1.259 1.00 0.00 C ATOM 208 O PHE A 15 -9.063 -5.683 -1.240 1.00 0.00 O ATOM 209 CB PHE A 15 -10.735 -8.395 -1.350 1.00 0.00 C ATOM 210 CG PHE A 15 -11.118 -9.766 -1.857 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.531 -9.942 -3.184 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.059 -10.864 -0.993 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.884 -11.217 -3.644 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.412 -12.138 -1.452 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.825 -12.315 -2.777 1.00 0.00 C ATOM 0 H PHE A 15 -8.905 -9.895 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.824 -7.384 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.513 -8.444 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.573 -7.709 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.577 -9.095 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.741 -10.729 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.202 -11.353 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.366 -12.985 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.098 -13.298 -3.131 1.00 0.00 H new ATOM 225 N LEU A 16 -7.754 -7.308 -0.554 1.00 0.00 N ATOM 226 CA LEU A 16 -6.968 -6.369 0.296 1.00 0.00 C ATOM 227 C LEU A 16 -6.255 -5.345 -0.589 1.00 0.00 C ATOM 228 O LEU A 16 -6.398 -4.151 -0.412 1.00 0.00 O ATOM 229 CB LEU A 16 -5.955 -7.247 1.029 1.00 0.00 C ATOM 230 CG LEU A 16 -6.053 -7.002 2.536 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.522 -5.605 2.861 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.515 -7.110 2.979 1.00 0.00 C ATOM 0 H LEU A 16 -7.447 -8.280 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.595 -5.812 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.144 -8.298 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.947 -7.024 0.680 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.459 -7.748 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.592 -5.430 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.481 -5.530 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.115 -4.858 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.584 -6.935 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.111 -6.365 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.892 -8.106 2.749 1.00 0.00 H new ATOM 244 N VAL A 17 -5.497 -5.802 -1.548 1.00 0.00 N ATOM 245 CA VAL A 17 -4.784 -4.853 -2.450 1.00 0.00 C ATOM 246 C VAL A 17 -5.779 -4.191 -3.406 1.00 0.00 C ATOM 247 O VAL A 17 -5.627 -3.047 -3.784 1.00 0.00 O ATOM 248 CB VAL A 17 -3.787 -5.714 -3.226 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.835 -4.810 -4.013 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.982 -6.571 -2.245 1.00 0.00 C ATOM 0 H VAL A 17 -5.341 -6.790 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.287 -4.053 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.327 -6.361 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.124 -5.424 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.407 -4.199 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.295 -4.162 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.271 -7.185 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.442 -5.923 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.659 -7.215 -1.684 1.00 0.00 H new ATOM 260 N HIS A 18 -6.802 -4.902 -3.799 1.00 0.00 N ATOM 261 CA HIS A 18 -7.804 -4.311 -4.730 1.00 0.00 C ATOM 262 C HIS A 18 -8.774 -3.409 -3.963 1.00 0.00 C ATOM 263 O HIS A 18 -8.898 -2.235 -4.249 1.00 0.00 O ATOM 264 CB HIS A 18 -8.540 -5.505 -5.336 1.00 0.00 C ATOM 265 CG HIS A 18 -7.724 -6.076 -6.462 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.515 -5.380 -7.661 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.055 -7.272 -6.599 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.751 -6.159 -8.456 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.461 -7.297 -7.845 1.00 0.00 N ATOM 0 H HIS A 18 -6.986 -5.864 -3.516 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.338 -3.692 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.711 -6.266 -4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.519 -5.195 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.004 -8.056 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.423 -5.892 -9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.899 -8.057 -8.227 1.00 0.00 H new ATOM 277 N SER A 19 -9.466 -3.942 -2.989 1.00 0.00 N ATOM 278 CA SER A 19 -10.423 -3.090 -2.220 1.00 0.00 C ATOM 279 C SER A 19 -9.711 -1.840 -1.698 1.00 0.00 C ATOM 280 O SER A 19 -10.329 -0.831 -1.421 1.00 0.00 O ATOM 281 CB SER A 19 -10.901 -3.957 -1.056 1.00 0.00 C ATOM 282 OG SER A 19 -12.089 -3.397 -0.510 1.00 0.00 O ATOM 0 H SER A 19 -9.412 -4.917 -2.695 1.00 0.00 H new ATOM 0 HA SER A 19 -11.256 -2.753 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.089 -4.975 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.128 -4.016 -0.290 1.00 0.00 H new ATOM 0 HG SER A 19 -12.399 -3.952 0.236 1.00 0.00 H new ATOM 288 N SER A 20 -8.412 -1.898 -1.565 1.00 0.00 N ATOM 289 CA SER A 20 -7.661 -0.711 -1.063 1.00 0.00 C ATOM 290 C SER A 20 -7.418 0.277 -2.206 1.00 0.00 C ATOM 291 O SER A 20 -7.373 1.473 -2.004 1.00 0.00 O ATOM 292 CB SER A 20 -6.338 -1.269 -0.539 1.00 0.00 C ATOM 293 OG SER A 20 -5.500 -0.192 -0.142 1.00 0.00 O ATOM 0 H SER A 20 -7.840 -2.714 -1.782 1.00 0.00 H new ATOM 0 HA SER A 20 -8.206 -0.172 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.519 -1.934 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.848 -1.861 -1.312 1.00 0.00 H new ATOM 0 HG SER A 20 -4.651 -0.546 0.196 1.00 0.00 H new ATOM 299 N ASN A 21 -7.263 -0.214 -3.404 1.00 0.00 N ATOM 300 CA ASN A 21 -7.031 0.696 -4.566 1.00 0.00 C ATOM 301 C ASN A 21 -8.369 1.075 -5.210 1.00 0.00 C ATOM 302 O ASN A 21 -8.491 2.077 -5.895 1.00 0.00 O ATOM 303 CB ASN A 21 -6.177 -0.121 -5.535 1.00 0.00 C ATOM 304 CG ASN A 21 -5.500 0.815 -6.538 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.963 1.915 -6.770 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.414 0.422 -7.145 1.00 0.00 N ATOM 0 H ASN A 21 -7.287 -1.208 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.543 1.627 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.425 -0.686 -4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.798 -0.846 -6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.953 1.038 -7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.026 -0.501 -6.950 1.00 0.00 H new ATOM 313 N ASN A 22 -9.373 0.273 -5.002 1.00 0.00 N ATOM 314 CA ASN A 22 -10.702 0.567 -5.602 1.00 0.00 C ATOM 315 C ASN A 22 -11.207 1.940 -5.155 1.00 0.00 C ATOM 316 O ASN A 22 -11.670 2.725 -5.955 1.00 0.00 O ATOM 317 CB ASN A 22 -11.620 -0.539 -5.082 1.00 0.00 C ATOM 318 CG ASN A 22 -12.432 -1.122 -6.242 1.00 0.00 C ATOM 319 OD1 ASN A 22 -13.338 -0.488 -6.744 1.00 0.00 O ATOM 320 ND2 ASN A 22 -12.143 -2.314 -6.692 1.00 0.00 N ATOM 0 H ASN A 22 -9.330 -0.577 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.663 0.592 -6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.029 -1.323 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.290 -0.141 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.678 -2.711 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.382 -2.847 -6.271 1.00 0.00 H new ATOM 327 N PHE A 23 -11.123 2.233 -3.886 1.00 0.00 N ATOM 328 CA PHE A 23 -11.608 3.555 -3.387 1.00 0.00 C ATOM 329 C PHE A 23 -11.065 4.680 -4.267 1.00 0.00 C ATOM 330 O PHE A 23 -11.628 5.754 -4.340 1.00 0.00 O ATOM 331 CB PHE A 23 -11.084 3.667 -1.947 1.00 0.00 C ATOM 332 CG PHE A 23 -9.652 4.156 -1.944 1.00 0.00 C ATOM 333 CD1 PHE A 23 -8.694 3.519 -2.737 1.00 0.00 C ATOM 334 CD2 PHE A 23 -9.286 5.248 -1.145 1.00 0.00 C ATOM 335 CE1 PHE A 23 -7.369 3.969 -2.736 1.00 0.00 C ATOM 336 CE2 PHE A 23 -7.960 5.699 -1.143 1.00 0.00 C ATOM 337 CZ PHE A 23 -7.001 5.059 -1.939 1.00 0.00 C ATOM 0 H PHE A 23 -10.739 1.615 -3.171 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.695 3.636 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.711 4.353 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.145 2.697 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.977 2.677 -3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.026 5.741 -0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.630 3.475 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.677 6.540 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.978 5.407 -1.938 1.00 0.00 H new ATOM 347 N GLY A 24 -9.982 4.435 -4.946 1.00 0.00 N ATOM 348 CA GLY A 24 -9.411 5.482 -5.834 1.00 0.00 C ATOM 349 C GLY A 24 -10.217 5.510 -7.130 1.00 0.00 C ATOM 350 O GLY A 24 -10.600 6.556 -7.624 1.00 0.00 O ATOM 0 H GLY A 24 -9.467 3.555 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.447 6.455 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.363 5.270 -6.044 1.00 0.00 H new ATOM 354 N ALA A 25 -10.489 4.360 -7.679 1.00 0.00 N ATOM 355 CA ALA A 25 -11.281 4.309 -8.940 1.00 0.00 C ATOM 356 C ALA A 25 -12.676 4.899 -8.713 1.00 0.00 C ATOM 357 O ALA A 25 -13.408 5.156 -9.648 1.00 0.00 O ATOM 358 CB ALA A 25 -11.378 2.825 -9.289 1.00 0.00 C ATOM 0 H ALA A 25 -10.198 3.454 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.818 4.886 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.949 2.704 -10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.377 2.418 -9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.878 2.293 -8.480 1.00 0.00 H new ATOM 364 N ILE A 26 -13.049 5.129 -7.482 1.00 0.00 N ATOM 365 CA ILE A 26 -14.390 5.717 -7.215 1.00 0.00 C ATOM 366 C ILE A 26 -14.233 7.221 -7.160 1.00 0.00 C ATOM 367 O ILE A 26 -15.021 7.966 -7.705 1.00 0.00 O ATOM 368 CB ILE A 26 -14.837 5.147 -5.870 1.00 0.00 C ATOM 369 CG1 ILE A 26 -14.431 3.669 -5.773 1.00 0.00 C ATOM 370 CG2 ILE A 26 -16.357 5.265 -5.749 1.00 0.00 C ATOM 371 CD1 ILE A 26 -14.560 2.991 -7.145 1.00 0.00 C ATOM 0 H ILE A 26 -12.485 4.936 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.129 5.483 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.360 5.706 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.404 3.589 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.062 3.158 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.678 4.859 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.647 6.314 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.831 4.707 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.269 1.944 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.593 3.055 -7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.909 3.493 -7.861 1.00 0.00 H new ATOM 383 N LEU A 27 -13.174 7.668 -6.548 1.00 0.00 N ATOM 384 CA LEU A 27 -12.905 9.122 -6.506 1.00 0.00 C ATOM 385 C LEU A 27 -13.091 9.653 -7.924 1.00 0.00 C ATOM 386 O LEU A 27 -13.456 10.791 -8.148 1.00 0.00 O ATOM 387 CB LEU A 27 -11.444 9.202 -6.076 1.00 0.00 C ATOM 388 CG LEU A 27 -11.359 9.285 -4.551 1.00 0.00 C ATOM 389 CD1 LEU A 27 -9.892 9.244 -4.120 1.00 0.00 C ATOM 390 CD2 LEU A 27 -11.991 10.594 -4.071 1.00 0.00 C ATOM 0 H LEU A 27 -12.484 7.084 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.550 9.696 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.901 8.327 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.970 10.075 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.894 8.442 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.830 9.303 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.439 8.312 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.360 10.087 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.929 10.651 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.458 11.438 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.037 10.627 -4.377 1.00 0.00 H new ATOM 402 N SER A 28 -12.853 8.795 -8.880 1.00 0.00 N ATOM 403 CA SER A 28 -13.017 9.169 -10.311 1.00 0.00 C ATOM 404 C SER A 28 -14.462 9.609 -10.583 1.00 0.00 C ATOM 405 O SER A 28 -14.752 10.233 -11.583 1.00 0.00 O ATOM 406 CB SER A 28 -12.703 7.879 -11.070 1.00 0.00 C ATOM 407 OG SER A 28 -11.311 7.829 -11.357 1.00 0.00 O ATOM 0 H SER A 28 -12.547 7.835 -8.724 1.00 0.00 H new ATOM 0 HA SER A 28 -12.375 9.998 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.995 7.013 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.278 7.839 -11.995 1.00 0.00 H new ATOM 0 HG SER A 28 -11.106 7.002 -11.842 1.00 0.00 H new ATOM 413 N SER A 29 -15.366 9.277 -9.701 1.00 0.00 N ATOM 414 CA SER A 29 -16.793 9.661 -9.907 1.00 0.00 C ATOM 415 C SER A 29 -17.095 10.995 -9.220 1.00 0.00 C ATOM 416 O SER A 29 -18.236 11.327 -8.964 1.00 0.00 O ATOM 417 CB SER A 29 -17.601 8.538 -9.260 1.00 0.00 C ATOM 418 OG SER A 29 -18.510 8.005 -10.212 1.00 0.00 O ATOM 0 H SER A 29 -15.178 8.755 -8.845 1.00 0.00 H new ATOM 0 HA SER A 29 -17.033 9.788 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.933 7.755 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.144 8.917 -8.394 1.00 0.00 H new ATOM 0 HG SER A 29 -19.029 7.283 -9.800 1.00 0.00 H new ATOM 424 N THR A 30 -16.085 11.760 -8.918 1.00 0.00 N ATOM 425 CA THR A 30 -16.322 13.070 -8.245 1.00 0.00 C ATOM 426 C THR A 30 -15.407 14.144 -8.838 1.00 0.00 C ATOM 427 O THR A 30 -15.833 14.976 -9.613 1.00 0.00 O ATOM 428 CB THR A 30 -15.987 12.820 -6.775 1.00 0.00 C ATOM 429 OG1 THR A 30 -14.589 12.616 -6.635 1.00 0.00 O ATOM 430 CG2 THR A 30 -16.738 11.580 -6.288 1.00 0.00 C ATOM 0 H THR A 30 -15.108 11.538 -9.107 1.00 0.00 H new ATOM 0 HA THR A 30 -17.344 13.426 -8.374 1.00 0.00 H new ATOM 0 HB THR A 30 -16.286 13.683 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.357 11.716 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.501 11.399 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 30 -17.811 11.739 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.438 10.716 -6.882 1.00 0.00 H new ATOM 438 N ASN A 31 -14.154 14.127 -8.483 1.00 0.00 N ATOM 439 CA ASN A 31 -13.215 15.145 -9.032 1.00 0.00 C ATOM 440 C ASN A 31 -13.290 15.145 -10.558 1.00 0.00 C ATOM 441 O ASN A 31 -12.965 16.116 -11.202 1.00 0.00 O ATOM 442 CB ASN A 31 -11.828 14.707 -8.561 1.00 0.00 C ATOM 443 CG ASN A 31 -10.771 15.636 -9.159 1.00 0.00 C ATOM 444 OD1 ASN A 31 -10.435 15.525 -10.321 1.00 0.00 O ATOM 445 ND2 ASN A 31 -10.225 16.552 -8.407 1.00 0.00 N ATOM 0 H ASN A 31 -13.739 13.454 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.452 16.155 -8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.777 14.733 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.637 13.678 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.516 17.175 -8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.507 16.645 -7.431 1.00 0.00 H new ATOM 452 N VAL A 32 -13.710 14.049 -11.132 1.00 0.00 N ATOM 453 CA VAL A 32 -13.810 13.951 -12.618 1.00 0.00 C ATOM 454 C VAL A 32 -12.584 14.587 -13.269 1.00 0.00 C ATOM 455 O VAL A 32 -12.633 15.074 -14.382 1.00 0.00 O ATOM 456 CB VAL A 32 -15.100 14.686 -13.004 1.00 0.00 C ATOM 457 CG1 VAL A 32 -14.968 16.181 -12.712 1.00 0.00 C ATOM 458 CG2 VAL A 32 -15.366 14.485 -14.497 1.00 0.00 C ATOM 0 H VAL A 32 -13.991 13.208 -10.629 1.00 0.00 H new ATOM 0 HA VAL A 32 -13.841 12.916 -12.960 1.00 0.00 H new ATOM 0 HB VAL A 32 -15.927 14.283 -12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.891 16.689 -12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.780 16.329 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.139 16.592 -13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.282 15.005 -14.777 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.531 14.885 -15.072 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -15.475 13.421 -14.707 1.00 0.00 H new ATOM 468 N GLY A 33 -11.478 14.563 -12.582 1.00 0.00 N ATOM 469 CA GLY A 33 -10.225 15.142 -13.150 1.00 0.00 C ATOM 470 C GLY A 33 -10.252 16.668 -13.055 1.00 0.00 C ATOM 471 O GLY A 33 -9.467 17.350 -13.685 1.00 0.00 O ATOM 0 H GLY A 33 -11.385 14.166 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.361 14.753 -12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.116 14.838 -14.191 1.00 0.00 H new ATOM 475 N SER A 34 -11.141 17.210 -12.274 1.00 0.00 N ATOM 476 CA SER A 34 -11.213 18.693 -12.138 1.00 0.00 C ATOM 477 C SER A 34 -11.055 19.358 -13.509 1.00 0.00 C ATOM 478 O SER A 34 -11.431 18.806 -14.523 1.00 0.00 O ATOM 479 CB SER A 34 -10.044 19.062 -11.229 1.00 0.00 C ATOM 480 OG SER A 34 -8.828 18.948 -11.956 1.00 0.00 O ATOM 0 H SER A 34 -11.823 16.691 -11.722 1.00 0.00 H new ATOM 0 HA SER A 34 -12.168 19.025 -11.731 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.165 20.080 -10.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.024 18.405 -10.359 1.00 0.00 H new ATOM 0 HG SER A 34 -9.010 18.564 -12.839 1.00 0.00 H new ATOM 486 N ASN A 35 -10.501 20.537 -13.544 1.00 0.00 N ATOM 487 CA ASN A 35 -10.315 21.237 -14.848 1.00 0.00 C ATOM 488 C ASN A 35 -9.313 22.384 -14.690 1.00 0.00 C ATOM 489 O ASN A 35 -9.665 23.478 -14.295 1.00 0.00 O ATOM 490 CB ASN A 35 -11.698 21.780 -15.208 1.00 0.00 C ATOM 491 CG ASN A 35 -12.320 20.909 -16.301 1.00 0.00 C ATOM 492 OD1 ASN A 35 -13.101 20.022 -16.017 1.00 0.00 O ATOM 493 ND2 ASN A 35 -12.006 21.126 -17.549 1.00 0.00 N ATOM 0 H ASN A 35 -10.168 21.048 -12.726 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.924 20.575 -15.621 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.338 21.787 -14.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.617 22.811 -15.552 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.416 20.551 -18.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.351 21.870 -17.788 1.00 0.00 H new ATOM 500 N THR A 36 -8.067 22.144 -14.995 1.00 0.00 N ATOM 501 CA THR A 36 -7.047 23.224 -14.860 1.00 0.00 C ATOM 502 C THR A 36 -6.920 23.999 -16.174 1.00 0.00 C ATOM 503 O THR A 36 -5.925 23.909 -16.866 1.00 0.00 O ATOM 504 CB THR A 36 -5.735 22.505 -14.533 1.00 0.00 C ATOM 505 OG1 THR A 36 -5.995 21.133 -14.268 1.00 0.00 O ATOM 506 CG2 THR A 36 -5.094 23.150 -13.302 1.00 0.00 C ATOM 0 H THR A 36 -7.711 21.249 -15.331 1.00 0.00 H new ATOM 0 HA THR A 36 -7.316 23.945 -14.088 1.00 0.00 H new ATOM 0 HB THR A 36 -5.057 22.586 -15.382 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.154 20.675 -14.061 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.160 22.639 -13.068 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.891 24.201 -13.506 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.774 23.070 -12.454 1.00 0.00 H new ATOM 514 N TYR A 37 -7.919 24.763 -16.523 1.00 0.00 N ATOM 515 CA TYR A 37 -7.856 25.545 -17.791 1.00 0.00 C ATOM 516 C TYR A 37 -6.503 26.252 -17.911 1.00 0.00 C ATOM 517 O TYR A 37 -5.844 26.062 -18.920 1.00 0.00 O ATOM 518 CB TYR A 37 -8.988 26.567 -17.680 1.00 0.00 C ATOM 519 CG TYR A 37 -8.640 27.596 -16.631 1.00 0.00 C ATOM 520 CD1 TYR A 37 -8.857 27.315 -15.277 1.00 0.00 C ATOM 521 CD2 TYR A 37 -8.103 28.830 -17.013 1.00 0.00 C ATOM 522 CE1 TYR A 37 -8.536 28.270 -14.303 1.00 0.00 C ATOM 523 CE2 TYR A 37 -7.782 29.784 -16.041 1.00 0.00 C ATOM 524 CZ TYR A 37 -7.998 29.505 -14.687 1.00 0.00 C ATOM 525 OH TYR A 37 -7.683 30.447 -13.729 1.00 0.00 O ATOM 526 OXT TYR A 37 -6.150 26.975 -16.993 1.00 0.00 O ATOM 0 H TYR A 37 -8.777 24.880 -15.984 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.961 24.913 -18.673 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -9.148 27.054 -18.642 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -9.920 26.066 -17.417 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.272 26.362 -14.983 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.936 29.046 -18.058 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.703 28.054 -13.258 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.367 30.736 -16.336 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.319 31.247 -14.164 1.00 0.00 H new TER 536 TYR A 37