USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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+ -162:sc= -1.01 (180deg=-1.84!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.7!) USER MOD Single : A 4 THR OG1 : rot 17:sc= -0.617 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 127:sc= -0.739! USER MOD Single : A 10 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.56) USER MOD Single : A 14 ASN : amide:sc= -0.0197 X(o=-0.02,f=0.017) USER MOD Single : A 18 HIS : no HD1:sc= -3.42! K(o=-3.4!,f=-1.7) 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= -0.127 K(o=-0.13,f=-2.6!) USER MOD Single : A 22 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.7!) 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 134:sc= 0.582 USER MOD Single : A 31 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.39) USER MOD Single : A 34 SER OG : rot 41:sc= -0.216 USER MOD Single : A 35 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.2!) USER MOD Single : A 36 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.666 -19.191 -4.091 1.00 0.00 N ATOM 2 CA LYS A 1 -14.774 -19.664 -2.681 1.00 0.00 C ATOM 3 C LYS A 1 -13.785 -20.804 -2.426 1.00 0.00 C ATOM 4 O LYS A 1 -13.890 -21.868 -3.004 1.00 0.00 O ATOM 5 CB LYS A 1 -16.213 -20.167 -2.539 1.00 0.00 C ATOM 6 CG LYS A 1 -17.179 -19.129 -3.114 1.00 0.00 C ATOM 7 CD LYS A 1 -17.598 -19.547 -4.526 1.00 0.00 C ATOM 8 CE LYS A 1 -19.097 -19.300 -4.708 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.714 -20.656 -4.699 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.098 -18.249 -4.175 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.664 -19.138 -4.364 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.161 -19.856 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.543 -18.875 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.330 -21.116 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.443 -20.350 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.057 -19.040 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.703 -18.149 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.033 -18.981 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.370 -20.601 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.495 -18.680 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.301 -18.780 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.743 -20.570 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.321 -21.222 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.509 -21.125 -3.793 1.00 0.00 H new ATOM 25 N CYS A 2 -12.830 -20.597 -1.562 1.00 0.00 N ATOM 26 CA CYS A 2 -11.848 -21.679 -1.275 1.00 0.00 C ATOM 27 C CYS A 2 -12.064 -22.226 0.148 1.00 0.00 C ATOM 28 O CYS A 2 -13.036 -22.909 0.399 1.00 0.00 O ATOM 29 CB CYS A 2 -10.466 -21.026 -1.427 1.00 0.00 C ATOM 30 SG CYS A 2 -9.922 -21.146 -3.148 1.00 0.00 S ATOM 0 H CYS A 2 -12.688 -19.730 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.955 -22.528 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.511 -19.981 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.746 -21.518 -0.773 1.00 0.00 H new ATOM 35 N ASN A 3 -11.162 -21.932 1.064 1.00 0.00 N ATOM 36 CA ASN A 3 -11.254 -22.419 2.478 1.00 0.00 C ATOM 37 C ASN A 3 -9.822 -22.576 2.971 1.00 0.00 C ATOM 38 O ASN A 3 -9.521 -22.443 4.140 1.00 0.00 O ATOM 39 CB ASN A 3 -11.951 -23.784 2.452 1.00 0.00 C ATOM 40 CG ASN A 3 -11.685 -24.520 3.768 1.00 0.00 C ATOM 41 OD1 ASN A 3 -11.209 -23.934 4.720 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.977 -25.788 3.863 1.00 0.00 N ATOM 0 H ASN A 3 -10.341 -21.356 0.878 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.810 -21.740 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.023 -23.654 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.585 -24.375 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.806 -26.287 4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.377 -26.281 3.064 1.00 0.00 H new ATOM 49 N THR A 4 -8.935 -22.840 2.049 1.00 0.00 N ATOM 50 CA THR A 4 -7.503 -22.996 2.393 1.00 0.00 C ATOM 51 C THR A 4 -6.837 -21.631 2.441 1.00 0.00 C ATOM 52 O THR A 4 -6.616 -21.008 1.426 1.00 0.00 O ATOM 53 CB THR A 4 -6.915 -23.844 1.264 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.057 -23.153 0.031 1.00 0.00 O ATOM 55 CG2 THR A 4 -7.656 -25.178 1.188 1.00 0.00 C ATOM 0 H THR A 4 -9.151 -22.955 1.059 1.00 0.00 H new ATOM 0 HA THR A 4 -7.353 -23.462 3.367 1.00 0.00 H new ATOM 0 HB THR A 4 -5.858 -24.027 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.245 -22.207 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.237 -25.782 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.548 -25.709 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.713 -24.997 0.992 1.00 0.00 H new ATOM 63 N ALA A 5 -6.524 -21.169 3.621 1.00 0.00 N ATOM 64 CA ALA A 5 -5.860 -19.841 3.767 1.00 0.00 C ATOM 65 C ALA A 5 -4.897 -19.611 2.601 1.00 0.00 C ATOM 66 O ALA A 5 -4.695 -18.501 2.160 1.00 0.00 O ATOM 67 CB ALA A 5 -5.094 -19.925 5.087 1.00 0.00 C ATOM 0 H ALA A 5 -6.701 -21.659 4.498 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.572 -19.016 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.576 -18.983 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.793 -20.117 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.366 -20.735 5.035 1.00 0.00 H new ATOM 73 N THR A 6 -4.323 -20.661 2.079 1.00 0.00 N ATOM 74 CA THR A 6 -3.400 -20.491 0.923 1.00 0.00 C ATOM 75 C THR A 6 -4.163 -19.795 -0.205 1.00 0.00 C ATOM 76 O THR A 6 -3.696 -18.841 -0.797 1.00 0.00 O ATOM 77 CB THR A 6 -2.982 -21.910 0.522 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.130 -21.848 -0.613 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.220 -22.740 0.187 1.00 0.00 C ATOM 0 H THR A 6 -4.452 -21.621 2.400 1.00 0.00 H new ATOM 0 HA THR A 6 -2.524 -19.885 1.154 1.00 0.00 H new ATOM 0 HB THR A 6 -2.452 -22.377 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.861 -22.755 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.917 -23.748 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.872 -22.790 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.756 -22.276 -0.640 1.00 0.00 H new ATOM 87 N CYS A 7 -5.358 -20.246 -0.475 1.00 0.00 N ATOM 88 CA CYS A 7 -6.185 -19.600 -1.527 1.00 0.00 C ATOM 89 C CYS A 7 -6.999 -18.484 -0.890 1.00 0.00 C ATOM 90 O CYS A 7 -7.083 -17.385 -1.400 1.00 0.00 O ATOM 91 CB CYS A 7 -7.110 -20.698 -2.048 1.00 0.00 C ATOM 92 SG CYS A 7 -8.275 -19.974 -3.236 1.00 0.00 S ATOM 0 H CYS A 7 -5.797 -21.039 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.587 -19.170 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.527 -21.486 -2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.652 -21.157 -1.221 1.00 0.00 H new ATOM 97 N ALA A 8 -7.589 -18.760 0.238 1.00 0.00 N ATOM 98 CA ALA A 8 -8.387 -17.719 0.933 1.00 0.00 C ATOM 99 C ALA A 8 -7.509 -16.491 1.151 1.00 0.00 C ATOM 100 O ALA A 8 -7.849 -15.401 0.747 1.00 0.00 O ATOM 101 CB ALA A 8 -8.790 -18.343 2.267 1.00 0.00 C ATOM 0 H ALA A 8 -7.552 -19.664 0.708 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.264 -17.404 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.384 -17.629 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.379 -19.242 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.895 -18.603 2.832 1.00 0.00 H new ATOM 107 N THR A 9 -6.370 -16.658 1.766 1.00 0.00 N ATOM 108 CA THR A 9 -5.472 -15.490 1.977 1.00 0.00 C ATOM 109 C THR A 9 -5.135 -14.869 0.621 1.00 0.00 C ATOM 110 O THR A 9 -5.127 -13.664 0.467 1.00 0.00 O ATOM 111 CB THR A 9 -4.214 -16.050 2.645 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.585 -16.814 3.785 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.307 -14.895 3.076 1.00 0.00 C ATOM 0 H THR A 9 -6.025 -17.547 2.129 1.00 0.00 H new ATOM 0 HA THR A 9 -5.929 -14.715 2.593 1.00 0.00 H new ATOM 0 HB THR A 9 -3.679 -16.686 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.177 -17.703 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.411 -15.294 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.023 -14.309 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.840 -14.258 3.782 1.00 0.00 H new ATOM 121 N GLN A 10 -4.863 -15.681 -0.370 1.00 0.00 N ATOM 122 CA GLN A 10 -4.541 -15.122 -1.708 1.00 0.00 C ATOM 123 C GLN A 10 -5.804 -14.544 -2.351 1.00 0.00 C ATOM 124 O GLN A 10 -5.742 -13.728 -3.252 1.00 0.00 O ATOM 125 CB GLN A 10 -4.019 -16.305 -2.523 1.00 0.00 C ATOM 126 CG GLN A 10 -2.646 -16.725 -1.993 1.00 0.00 C ATOM 127 CD GLN A 10 -1.644 -15.591 -2.219 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.954 -15.565 -3.218 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.533 -14.646 -1.325 1.00 0.00 N ATOM 0 H GLN A 10 -4.851 -16.699 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.810 -14.315 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.716 -17.140 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.946 -16.031 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.711 -16.961 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.309 -17.629 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.112 -14.667 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.867 -13.886 -1.466 1.00 0.00 H new ATOM 138 N ARG A 11 -6.951 -14.930 -1.866 1.00 0.00 N ATOM 139 CA ARG A 11 -8.216 -14.386 -2.426 1.00 0.00 C ATOM 140 C ARG A 11 -8.546 -13.153 -1.620 1.00 0.00 C ATOM 141 O ARG A 11 -8.762 -12.075 -2.136 1.00 0.00 O ATOM 142 CB ARG A 11 -9.252 -15.491 -2.212 1.00 0.00 C ATOM 143 CG ARG A 11 -9.289 -16.402 -3.441 1.00 0.00 C ATOM 144 CD ARG A 11 -10.070 -15.714 -4.564 1.00 0.00 C ATOM 145 NE ARG A 11 -9.049 -15.383 -5.596 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.325 -15.551 -6.860 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.867 -16.666 -7.267 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.061 -14.605 -7.718 1.00 0.00 N ATOM 0 H ARG A 11 -7.066 -15.600 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.171 -14.113 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.002 -16.071 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.236 -15.054 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.275 -16.624 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.757 -17.353 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.841 -16.370 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.572 -14.816 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.136 -15.026 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.075 -17.406 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.083 -16.797 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.638 -13.733 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.277 -14.738 -8.706 1.00 0.00 H new ATOM 162 N LEU A 12 -8.513 -13.317 -0.340 1.00 0.00 N ATOM 163 CA LEU A 12 -8.744 -12.188 0.575 1.00 0.00 C ATOM 164 C LEU A 12 -7.736 -11.090 0.257 1.00 0.00 C ATOM 165 O LEU A 12 -8.073 -9.931 0.134 1.00 0.00 O ATOM 166 CB LEU A 12 -8.477 -12.798 1.944 1.00 0.00 C ATOM 167 CG LEU A 12 -9.783 -13.312 2.546 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.618 -14.777 2.957 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.138 -12.476 3.778 1.00 0.00 C ATOM 0 H LEU A 12 -8.331 -14.209 0.120 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.736 -11.741 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.761 -13.615 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.031 -12.053 2.603 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.579 -13.231 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.551 -15.142 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.364 -15.374 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.822 -14.860 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.070 -12.841 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.340 -12.558 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.257 -11.432 3.487 1.00 0.00 H new ATOM 181 N ALA A 13 -6.496 -11.465 0.105 1.00 0.00 N ATOM 182 CA ALA A 13 -5.447 -10.466 -0.226 1.00 0.00 C ATOM 183 C ALA A 13 -5.789 -9.798 -1.556 1.00 0.00 C ATOM 184 O ALA A 13 -5.504 -8.637 -1.775 1.00 0.00 O ATOM 185 CB ALA A 13 -4.154 -11.271 -0.341 1.00 0.00 C ATOM 0 H ALA A 13 -6.165 -12.425 0.197 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.361 -9.678 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.329 -10.602 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.950 -11.769 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.259 -12.018 -1.128 1.00 0.00 H new ATOM 191 N ASN A 14 -6.413 -10.526 -2.439 1.00 0.00 N ATOM 192 CA ASN A 14 -6.794 -9.940 -3.751 1.00 0.00 C ATOM 193 C ASN A 14 -7.684 -8.722 -3.520 1.00 0.00 C ATOM 194 O ASN A 14 -7.506 -7.685 -4.123 1.00 0.00 O ATOM 195 CB ASN A 14 -7.575 -11.043 -4.467 1.00 0.00 C ATOM 196 CG ASN A 14 -7.529 -10.806 -5.977 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.545 -10.562 -6.598 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.384 -10.868 -6.599 1.00 0.00 N ATOM 0 H ASN A 14 -6.675 -11.503 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.932 -9.614 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.149 -12.018 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.609 -11.054 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.342 -10.712 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.531 -11.073 -6.078 1.00 0.00 H new ATOM 205 N PHE A 15 -8.633 -8.842 -2.634 1.00 0.00 N ATOM 206 CA PHE A 15 -9.534 -7.693 -2.346 1.00 0.00 C ATOM 207 C PHE A 15 -8.896 -6.838 -1.260 1.00 0.00 C ATOM 208 O PHE A 15 -9.184 -5.667 -1.127 1.00 0.00 O ATOM 209 CB PHE A 15 -10.850 -8.296 -1.827 1.00 0.00 C ATOM 210 CG PHE A 15 -11.061 -9.674 -2.405 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.152 -9.851 -3.789 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.150 -10.777 -1.549 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.336 -11.133 -4.318 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.331 -12.059 -2.076 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.425 -12.237 -3.461 1.00 0.00 C ATOM 0 H PHE A 15 -8.823 -9.688 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.707 -7.074 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.828 -8.351 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.685 -7.650 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.080 -8.999 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.079 -10.638 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.409 -11.271 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.398 -12.911 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.566 -13.227 -3.869 1.00 0.00 H new ATOM 225 N LEU A 16 -8.022 -7.415 -0.482 1.00 0.00 N ATOM 226 CA LEU A 16 -7.366 -6.619 0.591 1.00 0.00 C ATOM 227 C LEU A 16 -6.357 -5.661 -0.040 1.00 0.00 C ATOM 228 O LEU A 16 -6.399 -4.470 0.180 1.00 0.00 O ATOM 229 CB LEU A 16 -6.673 -7.641 1.489 1.00 0.00 C ATOM 230 CG LEU A 16 -7.390 -7.696 2.838 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.111 -9.039 2.976 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.369 -7.548 3.970 1.00 0.00 C ATOM 0 H LEU A 16 -7.737 -8.392 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.071 -6.015 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.685 -8.624 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.627 -7.368 1.631 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.115 -6.884 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.623 -9.080 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.840 -9.145 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.385 -9.850 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.883 -7.587 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.643 -8.359 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.854 -6.592 3.873 1.00 0.00 H new ATOM 244 N VAL A 17 -5.464 -6.166 -0.842 1.00 0.00 N ATOM 245 CA VAL A 17 -4.474 -5.270 -1.499 1.00 0.00 C ATOM 246 C VAL A 17 -5.200 -4.346 -2.483 1.00 0.00 C ATOM 247 O VAL A 17 -4.780 -3.234 -2.736 1.00 0.00 O ATOM 248 CB VAL A 17 -3.519 -6.208 -2.237 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.632 -5.398 -3.184 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.640 -6.942 -1.221 1.00 0.00 C ATOM 0 H VAL A 17 -5.376 -7.156 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.941 -4.635 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.096 -6.932 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.952 -6.069 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.256 -4.874 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.055 -4.673 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.958 -7.611 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.065 -6.216 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.270 -7.522 -0.547 1.00 0.00 H new ATOM 260 N HIS A 18 -6.293 -4.804 -3.039 1.00 0.00 N ATOM 261 CA HIS A 18 -7.055 -3.964 -4.010 1.00 0.00 C ATOM 262 C HIS A 18 -8.046 -3.048 -3.285 1.00 0.00 C ATOM 263 O HIS A 18 -8.022 -1.842 -3.437 1.00 0.00 O ATOM 264 CB HIS A 18 -7.826 -4.965 -4.870 1.00 0.00 C ATOM 265 CG HIS A 18 -6.913 -5.563 -5.902 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.882 -4.832 -6.504 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.862 -6.820 -6.459 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.262 -5.651 -7.381 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.830 -6.848 -7.374 1.00 0.00 N ATOM 0 H HIS A 18 -6.691 -5.726 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.392 -3.323 -4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.243 -5.752 -4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.665 -4.468 -5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.518 -7.644 -6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.423 -5.370 -8.000 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.553 -7.648 -7.944 1.00 0.00 H new ATOM 277 N SER A 19 -8.935 -3.620 -2.523 1.00 0.00 N ATOM 278 CA SER A 19 -9.960 -2.798 -1.811 1.00 0.00 C ATOM 279 C SER A 19 -9.333 -1.953 -0.696 1.00 0.00 C ATOM 280 O SER A 19 -9.854 -0.918 -0.331 1.00 0.00 O ATOM 281 CB SER A 19 -10.940 -3.814 -1.221 1.00 0.00 C ATOM 282 OG SER A 19 -12.184 -3.176 -0.966 1.00 0.00 O ATOM 0 H SER A 19 -8.998 -4.625 -2.360 1.00 0.00 H new ATOM 0 HA SER A 19 -10.443 -2.093 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.080 -4.645 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.537 -4.231 -0.298 1.00 0.00 H new ATOM 0 HG SER A 19 -12.814 -3.826 -0.589 1.00 0.00 H new ATOM 288 N SER A 20 -8.234 -2.382 -0.145 1.00 0.00 N ATOM 289 CA SER A 20 -7.605 -1.588 0.951 1.00 0.00 C ATOM 290 C SER A 20 -6.598 -0.586 0.389 1.00 0.00 C ATOM 291 O SER A 20 -6.581 0.567 0.768 1.00 0.00 O ATOM 292 CB SER A 20 -6.903 -2.612 1.840 1.00 0.00 C ATOM 293 OG SER A 20 -6.762 -2.077 3.148 1.00 0.00 O ATOM 0 H SER A 20 -7.746 -3.240 -0.401 1.00 0.00 H new ATOM 0 HA SER A 20 -8.345 -1.008 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.478 -3.537 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.925 -2.859 1.428 1.00 0.00 H new ATOM 0 HG SER A 20 -6.313 -2.732 3.723 1.00 0.00 H new ATOM 299 N ASN A 21 -5.752 -1.012 -0.501 1.00 0.00 N ATOM 300 CA ASN A 21 -4.740 -0.075 -1.067 1.00 0.00 C ATOM 301 C ASN A 21 -5.417 1.044 -1.868 1.00 0.00 C ATOM 302 O ASN A 21 -4.785 2.003 -2.262 1.00 0.00 O ATOM 303 CB ASN A 21 -3.866 -0.935 -1.980 1.00 0.00 C ATOM 304 CG ASN A 21 -2.522 -0.236 -2.195 1.00 0.00 C ATOM 305 OD1 ASN A 21 -2.174 0.671 -1.466 1.00 0.00 O ATOM 306 ND2 ASN A 21 -1.750 -0.619 -3.174 1.00 0.00 N ATOM 0 H ASN A 21 -5.715 -1.965 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.160 0.413 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.711 -1.918 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.364 -1.093 -2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.854 -0.157 -3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.042 -1.381 -3.786 1.00 0.00 H new ATOM 313 N ASN A 22 -6.694 0.930 -2.117 1.00 0.00 N ATOM 314 CA ASN A 22 -7.398 1.992 -2.901 1.00 0.00 C ATOM 315 C ASN A 22 -7.142 3.385 -2.313 1.00 0.00 C ATOM 316 O ASN A 22 -6.527 4.235 -2.935 1.00 0.00 O ATOM 317 CB ASN A 22 -8.883 1.641 -2.799 1.00 0.00 C ATOM 318 CG ASN A 22 -9.436 1.350 -4.194 1.00 0.00 C ATOM 319 OD1 ASN A 22 -8.840 1.719 -5.186 1.00 0.00 O ATOM 320 ND2 ASN A 22 -10.559 0.698 -4.313 1.00 0.00 N ATOM 0 H ASN A 22 -7.280 0.152 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.045 2.025 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.019 0.773 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.432 2.465 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.937 0.498 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.060 0.388 -3.480 1.00 0.00 H new ATOM 327 N PHE A 23 -7.616 3.633 -1.126 1.00 0.00 N ATOM 328 CA PHE A 23 -7.407 4.978 -0.516 1.00 0.00 C ATOM 329 C PHE A 23 -5.947 5.385 -0.672 1.00 0.00 C ATOM 330 O PHE A 23 -5.622 6.551 -0.761 1.00 0.00 O ATOM 331 CB PHE A 23 -7.779 4.827 0.961 1.00 0.00 C ATOM 332 CG PHE A 23 -6.694 4.076 1.695 1.00 0.00 C ATOM 333 CD1 PHE A 23 -5.489 4.714 2.015 1.00 0.00 C ATOM 334 CD2 PHE A 23 -6.900 2.744 2.066 1.00 0.00 C ATOM 335 CE1 PHE A 23 -4.488 4.015 2.702 1.00 0.00 C ATOM 336 CE2 PHE A 23 -5.901 2.047 2.755 1.00 0.00 C ATOM 337 CZ PHE A 23 -4.696 2.682 3.073 1.00 0.00 C ATOM 0 H PHE A 23 -8.136 2.969 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.012 5.749 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.920 5.810 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.726 4.295 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.332 5.744 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.830 2.253 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.557 4.505 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.061 1.018 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.926 2.143 3.605 1.00 0.00 H new ATOM 347 N GLY A 24 -5.066 4.430 -0.721 1.00 0.00 N ATOM 348 CA GLY A 24 -3.623 4.762 -0.885 1.00 0.00 C ATOM 349 C GLY A 24 -3.397 5.275 -2.305 1.00 0.00 C ATOM 350 O GLY A 24 -2.633 6.193 -2.534 1.00 0.00 O ATOM 0 H GLY A 24 -5.280 3.435 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.324 5.517 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.009 3.881 -0.699 1.00 0.00 H new ATOM 354 N ALA A 25 -4.067 4.694 -3.260 1.00 0.00 N ATOM 355 CA ALA A 25 -3.906 5.148 -4.668 1.00 0.00 C ATOM 356 C ALA A 25 -4.462 6.564 -4.822 1.00 0.00 C ATOM 357 O ALA A 25 -4.271 7.211 -5.832 1.00 0.00 O ATOM 358 CB ALA A 25 -4.718 4.156 -5.499 1.00 0.00 C ATOM 0 H ALA A 25 -4.721 3.923 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.862 5.177 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.650 4.423 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.323 3.150 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.761 4.186 -5.184 1.00 0.00 H new ATOM 364 N ILE A 26 -5.142 7.054 -3.820 1.00 0.00 N ATOM 365 CA ILE A 26 -5.699 8.437 -3.902 1.00 0.00 C ATOM 366 C ILE A 26 -4.661 9.386 -3.338 1.00 0.00 C ATOM 367 O ILE A 26 -4.289 10.369 -3.947 1.00 0.00 O ATOM 368 CB ILE A 26 -6.967 8.403 -3.050 1.00 0.00 C ATOM 369 CG1 ILE A 26 -7.727 7.093 -3.318 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.859 9.595 -3.408 1.00 0.00 C ATOM 371 CD1 ILE A 26 -7.571 6.686 -4.792 1.00 0.00 C ATOM 0 H ILE A 26 -5.336 6.558 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.933 8.768 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.697 8.459 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.345 6.303 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.782 7.220 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.763 9.569 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.320 10.523 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.130 9.543 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.112 5.757 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.975 7.471 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.515 6.540 -5.019 1.00 0.00 H new ATOM 383 N LEU A 27 -4.140 9.049 -2.197 1.00 0.00 N ATOM 384 CA LEU A 27 -3.063 9.871 -1.606 1.00 0.00 C ATOM 385 C LEU A 27 -2.015 10.109 -2.693 1.00 0.00 C ATOM 386 O LEU A 27 -1.276 11.073 -2.676 1.00 0.00 O ATOM 387 CB LEU A 27 -2.513 8.986 -0.492 1.00 0.00 C ATOM 388 CG LEU A 27 -3.245 9.294 0.817 1.00 0.00 C ATOM 389 CD1 LEU A 27 -2.832 10.680 1.317 1.00 0.00 C ATOM 390 CD2 LEU A 27 -4.754 9.272 0.572 1.00 0.00 C ATOM 0 H LEU A 27 -4.417 8.235 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.378 10.844 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.639 7.935 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.443 9.158 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.985 8.544 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.352 10.901 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.756 10.699 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.093 11.429 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.277 9.491 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.012 10.023 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.050 8.286 0.213 1.00 0.00 H new ATOM 402 N SER A 28 -1.974 9.217 -3.649 1.00 0.00 N ATOM 403 CA SER A 28 -1.013 9.330 -4.779 1.00 0.00 C ATOM 404 C SER A 28 -1.342 10.543 -5.660 1.00 0.00 C ATOM 405 O SER A 28 -0.641 10.835 -6.608 1.00 0.00 O ATOM 406 CB SER A 28 -1.234 8.041 -5.571 1.00 0.00 C ATOM 407 OG SER A 28 -0.433 7.006 -5.018 1.00 0.00 O ATOM 0 H SER A 28 -2.581 8.398 -3.691 1.00 0.00 H new ATOM 0 HA SER A 28 0.014 9.462 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.286 7.758 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.976 8.196 -6.619 1.00 0.00 H new ATOM 0 HG SER A 28 -0.574 6.178 -5.523 1.00 0.00 H new ATOM 413 N SER A 29 -2.408 11.240 -5.372 1.00 0.00 N ATOM 414 CA SER A 29 -2.775 12.413 -6.219 1.00 0.00 C ATOM 415 C SER A 29 -2.721 13.711 -5.409 1.00 0.00 C ATOM 416 O SER A 29 -3.481 14.629 -5.644 1.00 0.00 O ATOM 417 CB SER A 29 -4.203 12.130 -6.681 1.00 0.00 C ATOM 418 OG SER A 29 -4.182 11.118 -7.680 1.00 0.00 O ATOM 0 H SER A 29 -3.038 11.050 -4.592 1.00 0.00 H new ATOM 0 HA SER A 29 -2.087 12.543 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.814 11.811 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.656 13.039 -7.077 1.00 0.00 H new ATOM 0 HG SER A 29 -5.097 10.933 -7.977 1.00 0.00 H new ATOM 424 N THR A 30 -1.829 13.801 -4.464 1.00 0.00 N ATOM 425 CA THR A 30 -1.736 15.050 -3.654 1.00 0.00 C ATOM 426 C THR A 30 -0.303 15.249 -3.152 1.00 0.00 C ATOM 427 O THR A 30 0.500 15.906 -3.787 1.00 0.00 O ATOM 428 CB THR A 30 -2.698 14.834 -2.486 1.00 0.00 C ATOM 429 OG1 THR A 30 -2.298 13.686 -1.751 1.00 0.00 O ATOM 430 CG2 THR A 30 -4.115 14.630 -3.028 1.00 0.00 C ATOM 0 H THR A 30 -1.163 13.069 -4.217 1.00 0.00 H new ATOM 0 HA THR A 30 -1.992 15.940 -4.229 1.00 0.00 H new ATOM 0 HB THR A 30 -2.682 15.705 -1.832 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.313 13.890 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.804 14.476 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.419 15.512 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.133 13.757 -3.681 1.00 0.00 H new ATOM 438 N ASN A 31 0.027 14.686 -2.024 1.00 0.00 N ATOM 439 CA ASN A 31 1.410 14.844 -1.488 1.00 0.00 C ATOM 440 C ASN A 31 2.319 13.754 -2.060 1.00 0.00 C ATOM 441 O ASN A 31 3.413 14.018 -2.519 1.00 0.00 O ATOM 442 CB ASN A 31 1.268 14.685 0.025 1.00 0.00 C ATOM 443 CG ASN A 31 2.395 15.444 0.729 1.00 0.00 C ATOM 444 OD1 ASN A 31 2.654 16.592 0.427 1.00 0.00 O ATOM 445 ND2 ASN A 31 3.081 14.845 1.663 1.00 0.00 N ATOM 0 H ASN A 31 -0.600 14.123 -1.449 1.00 0.00 H new ATOM 0 HA ASN A 31 1.853 15.803 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.300 15.066 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.303 13.629 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.835 15.340 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.864 13.881 1.917 1.00 0.00 H new ATOM 452 N VAL A 32 1.871 12.530 -2.019 1.00 0.00 N ATOM 453 CA VAL A 32 2.686 11.396 -2.547 1.00 0.00 C ATOM 454 C VAL A 32 4.150 11.556 -2.140 1.00 0.00 C ATOM 455 O VAL A 32 5.039 11.051 -2.796 1.00 0.00 O ATOM 456 CB VAL A 32 2.529 11.450 -4.070 1.00 0.00 C ATOM 457 CG1 VAL A 32 3.345 12.610 -4.647 1.00 0.00 C ATOM 458 CG2 VAL A 32 3.026 10.133 -4.672 1.00 0.00 C ATOM 0 H VAL A 32 0.964 12.262 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 32 2.356 10.437 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 32 1.478 11.601 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.224 12.637 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.994 13.549 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.398 12.471 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.917 10.164 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.076 9.990 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.439 9.306 -4.272 1.00 0.00 H new ATOM 468 N GLY A 33 4.389 12.248 -1.056 1.00 0.00 N ATOM 469 CA GLY A 33 5.790 12.456 -0.569 1.00 0.00 C ATOM 470 C GLY A 33 6.763 12.512 -1.750 1.00 0.00 C ATOM 471 O GLY A 33 7.745 11.796 -1.791 1.00 0.00 O ATOM 0 H GLY A 33 3.668 12.683 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.849 13.382 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.072 11.646 0.104 1.00 0.00 H new ATOM 475 N SER A 34 6.494 13.344 -2.719 1.00 0.00 N ATOM 476 CA SER A 34 7.402 13.429 -3.901 1.00 0.00 C ATOM 477 C SER A 34 8.099 14.792 -3.950 1.00 0.00 C ATOM 478 O SER A 34 7.533 15.774 -4.386 1.00 0.00 O ATOM 479 CB SER A 34 6.486 13.253 -5.111 1.00 0.00 C ATOM 480 OG SER A 34 5.502 14.278 -5.108 1.00 0.00 O ATOM 0 H SER A 34 5.687 13.968 -2.745 1.00 0.00 H new ATOM 0 HA SER A 34 8.190 12.677 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.068 13.295 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.008 12.274 -5.080 1.00 0.00 H new ATOM 0 HG SER A 34 5.916 15.128 -4.849 1.00 0.00 H new ATOM 486 N ASN A 35 9.328 14.855 -3.515 1.00 0.00 N ATOM 487 CA ASN A 35 10.065 16.152 -3.545 1.00 0.00 C ATOM 488 C ASN A 35 11.469 15.973 -2.967 1.00 0.00 C ATOM 489 O ASN A 35 11.915 16.740 -2.138 1.00 0.00 O ATOM 490 CB ASN A 35 9.242 17.104 -2.678 1.00 0.00 C ATOM 491 CG ASN A 35 8.934 16.440 -1.335 1.00 0.00 C ATOM 492 OD1 ASN A 35 7.948 15.742 -1.200 1.00 0.00 O ATOM 493 ND2 ASN A 35 9.742 16.628 -0.327 1.00 0.00 N ATOM 0 H ASN A 35 9.854 14.065 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 35 10.185 16.534 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.790 18.032 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.314 17.365 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.546 16.189 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.570 17.213 -0.439 1.00 0.00 H new ATOM 500 N THR A 36 12.167 14.964 -3.409 1.00 0.00 N ATOM 501 CA THR A 36 13.551 14.714 -2.904 1.00 0.00 C ATOM 502 C THR A 36 14.019 13.323 -3.336 1.00 0.00 C ATOM 503 O THR A 36 14.467 12.529 -2.535 1.00 0.00 O ATOM 504 CB THR A 36 13.456 14.796 -1.375 1.00 0.00 C ATOM 505 OG1 THR A 36 14.589 14.158 -0.799 1.00 0.00 O ATOM 506 CG2 THR A 36 12.181 14.100 -0.898 1.00 0.00 C ATOM 0 H THR A 36 11.837 14.295 -4.104 1.00 0.00 H new ATOM 0 HA THR A 36 14.266 15.436 -3.299 1.00 0.00 H new ATOM 0 HB THR A 36 13.429 15.842 -1.069 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.508 13.187 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.118 14.161 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.313 14.589 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.202 13.054 -1.202 1.00 0.00 H new ATOM 514 N TYR A 37 13.912 13.025 -4.602 1.00 0.00 N ATOM 515 CA TYR A 37 14.346 11.688 -5.098 1.00 0.00 C ATOM 516 C TYR A 37 15.513 11.844 -6.074 1.00 0.00 C ATOM 517 O TYR A 37 15.898 10.853 -6.672 1.00 0.00 O ATOM 518 CB TYR A 37 13.121 11.106 -5.813 1.00 0.00 C ATOM 519 CG TYR A 37 12.420 12.183 -6.607 1.00 0.00 C ATOM 520 CD1 TYR A 37 12.910 12.562 -7.864 1.00 0.00 C ATOM 521 CD2 TYR A 37 11.278 12.803 -6.086 1.00 0.00 C ATOM 522 CE1 TYR A 37 12.259 13.560 -8.596 1.00 0.00 C ATOM 523 CE2 TYR A 37 10.626 13.801 -6.820 1.00 0.00 C ATOM 524 CZ TYR A 37 11.116 14.180 -8.074 1.00 0.00 C ATOM 525 OH TYR A 37 10.474 15.164 -8.796 1.00 0.00 O ATOM 526 OXT TYR A 37 16.006 12.954 -6.206 1.00 0.00 O ATOM 0 H TYR A 37 13.542 13.652 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 37 14.688 11.040 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.428 10.297 -6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.435 10.677 -5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.790 12.083 -8.267 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.900 12.511 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.637 13.853 -9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.745 14.278 -6.418 1.00 0.00 H new ATOM 0 HH TYR A 37 9.699 15.488 -8.291 1.00 0.00 H new TER 536 TYR A 37