USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 265 hydrogens (11 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 NoAdj-H: A 37 TYC H0 : A 37 TYC N : A 36 THR C :(H bumps) USER MOD NoAdj-H: A 37 TYC H : A 37 TYC N : A 36 THR C :(H bumps) USER MOD Set 1.1: A 29 SER OG : rot -40:sc= 2.29 USER MOD Set 1.2: A 36 THR OG1 : rot 122:sc= 1.03 USER MOD Set 2.1: A 30 THR OG1 : rot -105:sc= 0.0899 USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= -0.0575 F(o=-1.2,f=0.032) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.0604 USER MOD Set 3.2: A 21 ASN : amide:sc= 0 X(o=0.06,f=0.079) USER MOD Set 4.1: A 9 THR OG1 : rot -130:sc= 1.34 USER MOD Set 4.2: A 10 GLN : amide:sc=-0.00419 K(o=1.3,f=0.83) USER MOD Single : A 1 LYS N :NH3+ -123:sc= 0.119 (180deg=-0.0825) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.155 F(o=-0.96,f=-0.16) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.095 F(o=-2.2!,f=-0.095) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.377 F(o=-1.5,f=-0.38) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.133 F(o=-0.8,f=-0.13) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.59! C(o=-1.6!,f=-4.4!) USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 9.871 5.443 9.300 1.00 0.00 N ATOM 2 CA LYS A 1 9.509 5.526 7.891 1.00 0.00 C ATOM 3 C LYS A 1 10.554 6.340 7.154 1.00 0.00 C ATOM 4 O LYS A 1 11.334 7.066 7.784 1.00 0.00 O ATOM 5 CB LYS A 1 8.101 6.132 7.708 1.00 0.00 C ATOM 6 CG LYS A 1 6.983 5.299 8.330 1.00 0.00 C ATOM 7 CD LYS A 1 5.604 5.904 8.080 1.00 0.00 C ATOM 8 CE LYS A 1 4.508 5.026 8.679 1.00 0.00 C ATOM 9 NZ LYS A 1 3.143 5.568 8.456 1.00 0.00 N ATOM 0 H1 LYS A 1 9.949 4.444 9.580 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.784 5.918 9.453 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.139 5.907 9.874 1.00 0.00 H new ATOM 0 HA LYS A 1 9.479 4.520 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.085 7.129 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.903 6.250 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.014 4.289 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.151 5.213 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.556 6.902 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.440 6.016 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.572 4.028 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.680 4.920 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.442 4.930 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.067 6.509 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.963 5.645 7.435 1.00 0.00 H new ATOM 25 N CYS A 2 10.589 6.216 5.855 1.00 0.00 N ATOM 26 CA CYS A 2 11.538 6.922 5.033 1.00 0.00 C ATOM 27 C CYS A 2 10.845 7.468 3.797 1.00 0.00 C ATOM 28 O CYS A 2 9.732 7.040 3.469 1.00 0.00 O ATOM 29 CB CYS A 2 12.710 6.014 4.675 1.00 0.00 C ATOM 30 SG CYS A 2 12.240 4.400 3.983 1.00 0.00 S ATOM 0 H CYS A 2 9.953 5.616 5.330 1.00 0.00 H new ATOM 0 HA CYS A 2 11.942 7.768 5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.345 6.531 3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.310 5.849 5.570 1.00 0.00 H new ATOM 35 N ASN A 3 11.482 8.382 3.094 1.00 0.00 N ATOM 36 CA ASN A 3 10.795 9.069 2.010 1.00 0.00 C ATOM 37 C ASN A 3 11.746 9.371 0.843 1.00 0.00 C ATOM 38 O ASN A 3 11.455 10.186 -0.026 1.00 0.00 O ATOM 39 CB ASN A 3 10.184 10.369 2.566 1.00 0.00 C ATOM 40 CG ASN A 3 9.190 11.053 1.636 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.430 10.289 0.911 1.00 0.00 O flip ATOM 42 ND2 ASN A 3 9.090 12.287 1.612 1.00 0.00 N flip ATOM 0 H ASN A 3 12.450 8.664 3.245 1.00 0.00 H new ATOM 0 HA ASN A 3 10.008 8.425 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.685 10.146 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.991 11.067 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.702 12.860 2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.396 12.731 1.011 1.00 0.00 H new ATOM 49 N THR A 4 12.848 8.682 0.796 1.00 0.00 N ATOM 50 CA THR A 4 13.791 8.878 -0.281 1.00 0.00 C ATOM 51 C THR A 4 13.605 7.766 -1.309 1.00 0.00 C ATOM 52 O THR A 4 13.086 6.695 -0.977 1.00 0.00 O ATOM 53 CB THR A 4 15.264 8.898 0.242 1.00 0.00 C ATOM 54 OG1 THR A 4 16.182 9.040 -0.843 1.00 0.00 O ATOM 55 CG2 THR A 4 15.588 7.630 0.992 1.00 0.00 C ATOM 0 H THR A 4 13.121 7.981 1.485 1.00 0.00 H new ATOM 0 HA THR A 4 13.600 9.847 -0.743 1.00 0.00 H new ATOM 0 HB THR A 4 15.360 9.749 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.099 9.052 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.618 7.669 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.916 7.530 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.464 6.774 0.329 1.00 0.00 H new ATOM 63 N ALA A 5 14.067 7.990 -2.522 1.00 0.00 N ATOM 64 CA ALA A 5 13.918 7.041 -3.631 1.00 0.00 C ATOM 65 C ALA A 5 14.727 5.793 -3.371 1.00 0.00 C ATOM 66 O ALA A 5 14.506 4.758 -3.964 1.00 0.00 O ATOM 67 CB ALA A 5 14.333 7.668 -4.947 1.00 0.00 C ATOM 0 H ALA A 5 14.564 8.843 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 5 12.864 6.771 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.212 6.941 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.709 8.539 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.377 7.975 -4.890 1.00 0.00 H new ATOM 73 N THR A 6 15.667 5.915 -2.485 1.00 0.00 N ATOM 74 CA THR A 6 16.499 4.820 -2.096 1.00 0.00 C ATOM 75 C THR A 6 15.766 3.899 -1.080 1.00 0.00 C ATOM 76 O THR A 6 16.132 2.737 -0.903 1.00 0.00 O ATOM 77 CB THR A 6 17.797 5.386 -1.465 1.00 0.00 C ATOM 78 OG1 THR A 6 18.422 6.302 -2.392 1.00 0.00 O ATOM 79 CG2 THR A 6 18.777 4.284 -1.105 1.00 0.00 C ATOM 0 H THR A 6 15.880 6.790 -2.006 1.00 0.00 H new ATOM 0 HA THR A 6 16.740 4.220 -2.974 1.00 0.00 H new ATOM 0 HB THR A 6 17.524 5.904 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.242 6.662 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.673 4.723 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.315 3.607 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.048 3.730 -2.004 1.00 0.00 H new ATOM 87 N CYS A 7 14.682 4.385 -0.496 1.00 0.00 N ATOM 88 CA CYS A 7 14.086 3.684 0.629 1.00 0.00 C ATOM 89 C CYS A 7 12.598 3.503 0.496 1.00 0.00 C ATOM 90 O CYS A 7 12.067 2.432 0.766 1.00 0.00 O ATOM 91 CB CYS A 7 14.330 4.493 1.835 1.00 0.00 C ATOM 92 SG CYS A 7 14.019 3.636 3.405 1.00 0.00 S ATOM 0 H CYS A 7 14.206 5.243 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 7 14.535 2.692 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.365 4.834 1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.701 5.382 1.792 1.00 0.00 H new ATOM 97 N ALA A 8 11.914 4.554 0.081 1.00 0.00 N ATOM 98 CA ALA A 8 10.471 4.538 -0.040 1.00 0.00 C ATOM 99 C ALA A 8 10.070 3.505 -1.057 1.00 0.00 C ATOM 100 O ALA A 8 9.040 2.871 -0.968 1.00 0.00 O ATOM 101 CB ALA A 8 9.978 5.899 -0.469 1.00 0.00 C ATOM 0 H ALA A 8 12.344 5.441 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 8 10.027 4.290 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.892 5.881 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.269 6.642 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.417 6.158 -1.432 1.00 0.00 H new ATOM 107 N THR A 9 10.936 3.316 -1.982 1.00 0.00 N ATOM 108 CA THR A 9 10.731 2.367 -3.052 1.00 0.00 C ATOM 109 C THR A 9 10.771 0.934 -2.528 1.00 0.00 C ATOM 110 O THR A 9 10.085 0.037 -3.008 1.00 0.00 O ATOM 111 CB THR A 9 11.778 2.581 -4.098 1.00 0.00 C ATOM 112 OG1 THR A 9 13.045 2.677 -3.421 1.00 0.00 O ATOM 113 CG2 THR A 9 11.496 3.872 -4.853 1.00 0.00 C ATOM 0 H THR A 9 11.824 3.814 -2.033 1.00 0.00 H new ATOM 0 HA THR A 9 9.745 2.525 -3.489 1.00 0.00 H new ATOM 0 HB THR A 9 11.784 1.760 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.519 3.478 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.262 4.023 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.518 3.808 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.506 4.710 -4.157 1.00 0.00 H new ATOM 121 N GLN A 10 11.570 0.759 -1.516 1.00 0.00 N ATOM 122 CA GLN A 10 11.775 -0.516 -0.887 1.00 0.00 C ATOM 123 C GLN A 10 10.560 -0.834 -0.065 1.00 0.00 C ATOM 124 O GLN A 10 10.072 -1.944 -0.075 1.00 0.00 O ATOM 125 CB GLN A 10 13.024 -0.495 0.000 1.00 0.00 C ATOM 126 CG GLN A 10 14.240 0.146 -0.654 1.00 0.00 C ATOM 127 CD GLN A 10 14.587 -0.422 -2.012 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.370 -1.591 -2.295 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.081 0.414 -2.866 1.00 0.00 N ATOM 0 H GLN A 10 12.110 1.515 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 10 11.927 -1.280 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.794 0.042 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.273 -1.518 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.062 1.216 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 10 15.099 0.027 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.248 1.382 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.303 0.105 -3.812 1.00 0.00 H new ATOM 138 N ARG A 11 10.018 0.183 0.595 1.00 0.00 N ATOM 139 CA ARG A 11 8.811 -0.011 1.368 1.00 0.00 C ATOM 140 C ARG A 11 7.649 -0.304 0.436 1.00 0.00 C ATOM 141 O ARG A 11 6.737 -1.021 0.783 1.00 0.00 O ATOM 142 CB ARG A 11 8.527 1.124 2.397 1.00 0.00 C ATOM 143 CG ARG A 11 8.139 2.512 1.874 1.00 0.00 C ATOM 144 CD ARG A 11 6.754 2.539 1.243 1.00 0.00 C ATOM 145 NE ARG A 11 5.704 2.151 2.183 1.00 0.00 N ATOM 146 CZ ARG A 11 4.412 2.479 2.089 1.00 0.00 C ATOM 147 NH1 ARG A 11 3.988 3.310 1.135 1.00 0.00 N ATOM 148 NH2 ARG A 11 3.548 1.991 2.976 1.00 0.00 N ATOM 0 H ARG A 11 10.392 1.132 0.608 1.00 0.00 H new ATOM 0 HA ARG A 11 8.959 -0.884 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.726 0.782 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.418 1.241 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.173 3.227 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.875 2.837 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.549 3.541 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.736 1.867 0.385 1.00 0.00 H new ATOM 0 HE ARG A 11 5.982 1.580 2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.653 3.702 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.999 3.553 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.874 1.373 3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.560 2.235 2.913 1.00 0.00 H new ATOM 162 N LEU A 12 7.722 0.270 -0.767 1.00 0.00 N ATOM 163 CA LEU A 12 6.770 0.021 -1.815 1.00 0.00 C ATOM 164 C LEU A 12 6.817 -1.433 -2.192 1.00 0.00 C ATOM 165 O LEU A 12 5.794 -2.065 -2.388 1.00 0.00 O ATOM 166 CB LEU A 12 7.129 0.856 -3.034 1.00 0.00 C ATOM 167 CG LEU A 12 6.739 2.334 -3.034 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.105 2.971 -4.366 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.249 2.498 -2.768 1.00 0.00 C ATOM 0 H LEU A 12 8.458 0.926 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 12 5.771 0.284 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.208 0.796 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.669 0.390 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 12 7.288 2.835 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.823 4.024 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.180 2.885 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.575 2.461 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.993 3.558 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.682 1.985 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.004 2.069 -1.796 1.00 0.00 H new ATOM 181 N ALA A 13 8.007 -1.969 -2.254 1.00 0.00 N ATOM 182 CA ALA A 13 8.186 -3.357 -2.552 1.00 0.00 C ATOM 183 C ALA A 13 7.649 -4.216 -1.393 1.00 0.00 C ATOM 184 O ALA A 13 7.152 -5.318 -1.592 1.00 0.00 O ATOM 185 CB ALA A 13 9.650 -3.660 -2.826 1.00 0.00 C ATOM 0 H ALA A 13 8.874 -1.454 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 13 7.622 -3.602 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.766 -4.720 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.991 -3.069 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.244 -3.408 -1.948 1.00 0.00 H new ATOM 191 N ASN A 14 7.729 -3.674 -0.186 1.00 0.00 N ATOM 192 CA ASN A 14 7.263 -4.365 1.027 1.00 0.00 C ATOM 193 C ASN A 14 5.785 -4.237 1.248 1.00 0.00 C ATOM 194 O ASN A 14 5.240 -4.916 2.106 1.00 0.00 O ATOM 195 CB ASN A 14 7.988 -3.922 2.318 1.00 0.00 C ATOM 196 CG ASN A 14 9.435 -4.360 2.402 1.00 0.00 C ATOM 197 OD1 ASN A 14 10.127 -4.281 1.317 1.00 0.00 O flip ATOM 198 ND2 ASN A 14 9.937 -4.688 3.480 1.00 0.00 N flip ATOM 0 H ASN A 14 8.116 -2.747 -0.011 1.00 0.00 H new ATOM 0 HA ASN A 14 7.511 -5.408 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.945 -2.835 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.450 -4.320 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.357 -4.739 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.932 -4.908 3.534 1.00 0.00 H new ATOM 205 N PHE A 15 5.106 -3.418 0.477 1.00 0.00 N ATOM 206 CA PHE A 15 3.718 -3.171 0.750 1.00 0.00 C ATOM 207 C PHE A 15 2.927 -4.200 0.022 1.00 0.00 C ATOM 208 O PHE A 15 1.763 -4.443 0.302 1.00 0.00 O ATOM 209 CB PHE A 15 3.331 -1.718 0.337 1.00 0.00 C ATOM 210 CG PHE A 15 2.403 -1.578 -0.864 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.032 -1.509 -0.688 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.903 -1.509 -2.151 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.188 -1.377 -1.767 1.00 0.00 C ATOM 214 CE2 PHE A 15 2.063 -1.380 -3.234 1.00 0.00 C ATOM 215 CZ PHE A 15 0.704 -1.312 -3.042 1.00 0.00 C ATOM 0 H PHE A 15 5.488 -2.922 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 15 3.507 -3.248 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.858 -1.235 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.248 -1.167 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.619 -1.559 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.970 -1.557 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.880 -1.324 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.471 -1.332 -4.233 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.042 -1.208 -3.889 1.00 0.00 H new ATOM 225 N LEU A 16 3.589 -4.828 -0.914 1.00 0.00 N ATOM 226 CA LEU A 16 2.974 -5.764 -1.707 1.00 0.00 C ATOM 227 C LEU A 16 3.841 -7.030 -1.817 1.00 0.00 C ATOM 228 O LEU A 16 3.644 -7.856 -2.687 1.00 0.00 O ATOM 229 CB LEU A 16 2.708 -5.103 -3.045 1.00 0.00 C ATOM 230 CG LEU A 16 3.686 -5.271 -4.233 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.104 -4.595 -5.454 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.049 -4.685 -3.944 1.00 0.00 C ATOM 0 H LEU A 16 4.577 -4.677 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 16 2.028 -6.098 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.733 -5.453 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.616 -4.033 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 16 3.816 -6.340 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.788 -4.710 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.146 -5.052 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.957 -3.535 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.698 -4.829 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.951 -3.619 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.483 -5.184 -3.078 1.00 0.00 H new ATOM 244 N VAL A 17 4.768 -7.181 -0.880 1.00 0.00 N ATOM 245 CA VAL A 17 5.741 -8.272 -0.909 1.00 0.00 C ATOM 246 C VAL A 17 5.076 -9.638 -0.687 1.00 0.00 C ATOM 247 O VAL A 17 5.145 -10.513 -1.534 1.00 0.00 O ATOM 248 CB VAL A 17 6.945 -7.996 0.059 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.525 -7.839 1.517 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.053 -9.025 -0.102 1.00 0.00 C ATOM 0 H VAL A 17 4.869 -6.555 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 17 6.166 -8.314 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 17 7.350 -7.030 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.406 -7.650 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.833 -7.002 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.036 -8.753 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.866 -8.795 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.662 -10.018 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.427 -9.000 -1.126 1.00 0.00 H new ATOM 260 N HIS A 18 4.453 -9.806 0.439 1.00 0.00 N ATOM 261 CA HIS A 18 3.649 -10.993 0.714 1.00 0.00 C ATOM 262 C HIS A 18 2.259 -10.524 0.974 1.00 0.00 C ATOM 263 O HIS A 18 1.327 -11.305 1.153 1.00 0.00 O ATOM 264 CB HIS A 18 4.156 -11.801 1.924 1.00 0.00 C ATOM 265 CG HIS A 18 5.519 -12.371 1.771 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.699 -11.758 1.666 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 5.785 -13.719 1.762 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 7.660 -12.724 1.602 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 7.083 -13.902 1.663 1.00 0.00 N flip ATOM 0 H HIS A 18 4.478 -9.132 1.205 1.00 0.00 H new ATOM 0 HA HIS A 18 3.708 -11.664 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.145 -11.156 2.803 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.457 -12.615 2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.045 -14.503 1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.722 -12.549 1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.560 -14.803 1.638 1.00 0.00 H new ATOM 278 N SER A 19 2.118 -9.209 0.973 1.00 0.00 N ATOM 279 CA SER A 19 0.879 -8.575 1.198 1.00 0.00 C ATOM 280 C SER A 19 -0.009 -8.744 0.018 1.00 0.00 C ATOM 281 O SER A 19 -1.182 -8.753 0.162 1.00 0.00 O ATOM 282 CB SER A 19 1.093 -7.114 1.530 1.00 0.00 C ATOM 283 OG SER A 19 1.959 -6.978 2.648 1.00 0.00 O ATOM 0 H SER A 19 2.890 -8.562 0.811 1.00 0.00 H new ATOM 0 HA SER A 19 0.387 -9.042 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.518 -6.598 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.135 -6.640 1.745 1.00 0.00 H new ATOM 0 HG SER A 19 2.088 -6.027 2.848 1.00 0.00 H new ATOM 289 N SER A 20 0.595 -9.045 -1.097 1.00 0.00 N ATOM 290 CA SER A 20 -0.014 -9.180 -2.422 1.00 0.00 C ATOM 291 C SER A 20 -1.178 -10.185 -2.458 1.00 0.00 C ATOM 292 O SER A 20 -2.038 -10.153 -3.339 1.00 0.00 O ATOM 293 CB SER A 20 1.094 -9.629 -3.341 1.00 0.00 C ATOM 294 OG SER A 20 1.923 -10.565 -2.647 1.00 0.00 O ATOM 0 H SER A 20 1.600 -9.218 -1.122 1.00 0.00 H new ATOM 0 HA SER A 20 -0.451 -8.228 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.677 -10.088 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.684 -8.772 -3.666 1.00 0.00 H new ATOM 0 HG SER A 20 2.645 -10.863 -3.238 1.00 0.00 H new ATOM 300 N ASN A 21 -1.196 -11.040 -1.490 1.00 0.00 N ATOM 301 CA ASN A 21 -2.173 -12.081 -1.379 1.00 0.00 C ATOM 302 C ASN A 21 -3.133 -11.802 -0.235 1.00 0.00 C ATOM 303 O ASN A 21 -4.011 -12.597 0.049 1.00 0.00 O ATOM 304 CB ASN A 21 -1.444 -13.398 -1.112 1.00 0.00 C ATOM 305 CG ASN A 21 -0.694 -13.943 -2.316 1.00 0.00 C ATOM 306 OD1 ASN A 21 -1.250 -14.699 -3.122 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.569 -13.596 -2.442 1.00 0.00 N ATOM 0 H ASN A 21 -0.514 -11.037 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.747 -12.134 -2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.739 -13.252 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.168 -14.142 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.120 -13.953 -3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.997 -12.970 -1.759 1.00 0.00 H new ATOM 314 N ASN A 22 -2.980 -10.667 0.428 1.00 0.00 N ATOM 315 CA ASN A 22 -3.724 -10.396 1.610 1.00 0.00 C ATOM 316 C ASN A 22 -4.289 -9.037 1.683 1.00 0.00 C ATOM 317 O ASN A 22 -5.424 -8.868 2.104 1.00 0.00 O ATOM 318 CB ASN A 22 -2.843 -10.599 2.796 1.00 0.00 C ATOM 319 CG ASN A 22 -3.216 -11.830 3.544 1.00 0.00 C ATOM 320 OD1 ASN A 22 -3.691 -12.802 2.820 1.00 0.00 O flip ATOM 321 ND2 ASN A 22 -3.066 -11.916 4.764 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.338 -9.924 0.151 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.569 -11.085 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.805 -10.669 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.914 -9.735 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.690 -11.126 5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.318 -12.777 5.249 1.00 0.00 H new ATOM 328 N PHE A 23 -3.514 -8.099 1.269 1.00 0.00 N ATOM 329 CA PHE A 23 -3.776 -6.690 1.400 1.00 0.00 C ATOM 330 C PHE A 23 -5.086 -6.253 0.727 1.00 0.00 C ATOM 331 O PHE A 23 -5.171 -5.914 -0.459 1.00 0.00 O ATOM 332 CB PHE A 23 -2.533 -5.906 0.993 1.00 0.00 C ATOM 333 CG PHE A 23 -2.288 -5.697 -0.459 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.969 -4.458 -0.953 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.364 -6.742 -1.300 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.728 -4.287 -2.295 1.00 0.00 C ATOM 337 CE2 PHE A 23 -2.131 -6.607 -2.625 1.00 0.00 C ATOM 338 CZ PHE A 23 -1.805 -5.369 -3.139 1.00 0.00 C ATOM 0 H PHE A 23 -2.628 -8.294 0.802 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.966 -6.453 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.585 -4.926 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.664 -6.416 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.907 -3.612 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.618 -7.716 -0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.480 -3.310 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.200 -7.464 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.612 -5.251 -4.195 1.00 0.00 H new ATOM 348 N GLY A 24 -6.104 -6.319 1.513 1.00 0.00 N ATOM 349 CA GLY A 24 -7.457 -6.112 1.055 1.00 0.00 C ATOM 350 C GLY A 24 -7.866 -7.182 0.082 1.00 0.00 C ATOM 351 O GLY A 24 -8.631 -6.959 -0.827 1.00 0.00 O ATOM 0 H GLY A 24 -6.031 -6.521 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.137 -6.111 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.539 -5.134 0.581 1.00 0.00 H new ATOM 355 N ALA A 25 -7.339 -8.344 0.288 1.00 0.00 N ATOM 356 CA ALA A 25 -7.664 -9.490 -0.492 1.00 0.00 C ATOM 357 C ALA A 25 -8.508 -10.338 0.369 1.00 0.00 C ATOM 358 O ALA A 25 -9.536 -10.861 -0.038 1.00 0.00 O ATOM 359 CB ALA A 25 -6.407 -10.224 -0.901 1.00 0.00 C ATOM 0 H ALA A 25 -6.654 -8.526 1.021 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.183 -9.217 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.673 -11.097 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.774 -9.561 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.866 -10.543 -0.010 1.00 0.00 H new ATOM 365 N ILE A 26 -8.089 -10.397 1.599 1.00 0.00 N ATOM 366 CA ILE A 26 -8.767 -11.083 2.611 1.00 0.00 C ATOM 367 C ILE A 26 -9.694 -10.116 3.344 1.00 0.00 C ATOM 368 O ILE A 26 -10.825 -10.459 3.676 1.00 0.00 O ATOM 369 CB ILE A 26 -7.772 -11.770 3.585 1.00 0.00 C ATOM 370 CG1 ILE A 26 -8.510 -12.343 4.760 1.00 0.00 C ATOM 371 CG2 ILE A 26 -6.704 -10.788 4.062 1.00 0.00 C ATOM 372 CD1 ILE A 26 -7.656 -13.166 5.705 1.00 0.00 C ATOM 0 H ILE A 26 -7.231 -9.945 1.917 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.370 -11.875 2.166 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.275 -12.578 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.964 -11.526 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.324 -12.967 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.021 -11.296 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.148 -10.411 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.180 -9.956 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.273 -13.539 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.223 -14.008 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.857 -12.544 6.108 1.00 0.00 H new ATOM 384 N LEU A 27 -9.218 -8.878 3.519 1.00 0.00 N ATOM 385 CA LEU A 27 -9.981 -7.824 4.184 1.00 0.00 C ATOM 386 C LEU A 27 -11.174 -7.480 3.348 1.00 0.00 C ATOM 387 O LEU A 27 -12.298 -7.396 3.832 1.00 0.00 O ATOM 388 CB LEU A 27 -9.052 -6.593 4.438 1.00 0.00 C ATOM 389 CG LEU A 27 -9.408 -5.182 3.865 1.00 0.00 C ATOM 390 CD1 LEU A 27 -10.638 -4.570 4.499 1.00 0.00 C ATOM 391 CD2 LEU A 27 -8.222 -4.239 4.009 1.00 0.00 C ATOM 0 H LEU A 27 -8.294 -8.582 3.203 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.345 -8.162 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.956 -6.484 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.065 -6.853 4.055 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.640 -5.328 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.828 -3.593 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.497 -5.219 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.477 -4.457 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.484 -3.261 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.962 -4.140 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.369 -4.640 3.461 1.00 0.00 H new ATOM 403 N SER A 28 -10.936 -7.312 2.098 1.00 0.00 N ATOM 404 CA SER A 28 -11.998 -6.987 1.217 1.00 0.00 C ATOM 405 C SER A 28 -12.731 -8.254 0.809 1.00 0.00 C ATOM 406 O SER A 28 -13.886 -8.223 0.424 1.00 0.00 O ATOM 407 CB SER A 28 -11.470 -6.222 0.043 1.00 0.00 C ATOM 408 OG SER A 28 -10.781 -5.069 0.498 1.00 0.00 O ATOM 0 H SER A 28 -10.017 -7.394 1.662 1.00 0.00 H new ATOM 0 HA SER A 28 -12.720 -6.343 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.800 -6.851 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.290 -5.932 -0.614 1.00 0.00 H new ATOM 0 HG SER A 28 -10.434 -4.570 -0.271 1.00 0.00 H new ATOM 414 N SER A 29 -12.020 -9.372 0.929 1.00 0.00 N ATOM 415 CA SER A 29 -12.538 -10.723 0.695 1.00 0.00 C ATOM 416 C SER A 29 -13.043 -10.872 -0.744 1.00 0.00 C ATOM 417 O SER A 29 -13.921 -11.711 -1.035 1.00 0.00 O ATOM 418 CB SER A 29 -13.670 -11.002 1.650 1.00 0.00 C ATOM 419 OG SER A 29 -13.398 -10.514 2.966 1.00 0.00 O ATOM 0 H SER A 29 -11.037 -9.366 1.200 1.00 0.00 H new ATOM 0 HA SER A 29 -11.728 -11.435 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.583 -10.540 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.851 -12.076 1.693 1.00 0.00 H new ATOM 0 HG SER A 29 -12.459 -10.682 3.189 1.00 0.00 H new ATOM 425 N THR A 30 -12.419 -10.137 -1.622 1.00 0.00 N ATOM 426 CA THR A 30 -12.777 -10.026 -3.009 1.00 0.00 C ATOM 427 C THR A 30 -12.653 -11.355 -3.735 1.00 0.00 C ATOM 428 O THR A 30 -13.510 -11.740 -4.537 1.00 0.00 O ATOM 429 CB THR A 30 -11.839 -9.005 -3.623 1.00 0.00 C ATOM 430 OG1 THR A 30 -10.507 -9.284 -3.125 1.00 0.00 O ATOM 431 CG2 THR A 30 -12.239 -7.616 -3.192 1.00 0.00 C ATOM 0 H THR A 30 -11.606 -9.571 -1.377 1.00 0.00 H new ATOM 0 HA THR A 30 -13.819 -9.720 -3.100 1.00 0.00 H new ATOM 0 HB THR A 30 -11.876 -9.063 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.263 -8.616 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.561 -6.888 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.258 -7.412 -3.522 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.188 -7.543 -2.106 1.00 0.00 H new ATOM 439 N ASN A 31 -11.626 -12.079 -3.398 1.00 0.00 N ATOM 440 CA ASN A 31 -11.357 -13.355 -4.040 1.00 0.00 C ATOM 441 C ASN A 31 -11.786 -14.488 -3.148 1.00 0.00 C ATOM 442 O ASN A 31 -11.585 -15.655 -3.453 1.00 0.00 O ATOM 443 CB ASN A 31 -9.885 -13.511 -4.441 1.00 0.00 C ATOM 444 CG ASN A 31 -8.978 -13.469 -3.261 1.00 0.00 C ATOM 445 OD1 ASN A 31 -8.525 -12.305 -2.934 1.00 0.00 O flip ATOM 446 ND2 ASN A 31 -8.679 -14.492 -2.643 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.951 -11.815 -2.680 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.940 -13.382 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.751 -14.456 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.613 -12.717 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.059 -15.393 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.052 -14.438 -1.840 1.00 0.00 H new ATOM 453 N VAL A 32 -12.383 -14.137 -2.037 1.00 0.00 N ATOM 454 CA VAL A 32 -12.832 -15.116 -1.072 1.00 0.00 C ATOM 455 C VAL A 32 -14.295 -15.451 -1.360 1.00 0.00 C ATOM 456 O VAL A 32 -14.813 -16.479 -0.940 1.00 0.00 O ATOM 457 CB VAL A 32 -12.665 -14.580 0.384 1.00 0.00 C ATOM 458 CG1 VAL A 32 -12.961 -15.659 1.421 1.00 0.00 C ATOM 459 CG2 VAL A 32 -11.267 -14.010 0.594 1.00 0.00 C ATOM 0 H VAL A 32 -12.572 -13.170 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.225 -16.017 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.393 -13.780 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.834 -15.246 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.986 -16.008 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.275 -16.494 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.174 -13.642 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.526 -14.790 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.100 -13.189 -0.104 1.00 0.00 H new ATOM 469 N GLY A 33 -14.936 -14.590 -2.130 1.00 0.00 N ATOM 470 CA GLY A 33 -16.323 -14.787 -2.454 1.00 0.00 C ATOM 471 C GLY A 33 -17.216 -14.287 -1.356 1.00 0.00 C ATOM 472 O GLY A 33 -18.358 -14.730 -1.213 1.00 0.00 O ATOM 0 H GLY A 33 -14.515 -13.755 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.559 -14.267 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.512 -15.847 -2.625 1.00 0.00 H new ATOM 476 N SER A 34 -16.695 -13.377 -0.573 1.00 0.00 N ATOM 477 CA SER A 34 -17.441 -12.805 0.503 1.00 0.00 C ATOM 478 C SER A 34 -17.824 -11.397 0.089 1.00 0.00 C ATOM 479 O SER A 34 -19.003 -11.078 -0.043 1.00 0.00 O ATOM 480 CB SER A 34 -16.580 -12.764 1.762 1.00 0.00 C ATOM 481 OG SER A 34 -15.812 -13.950 1.893 1.00 0.00 O ATOM 0 H SER A 34 -15.745 -13.017 -0.668 1.00 0.00 H new ATOM 0 HA SER A 34 -18.331 -13.397 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.917 -11.900 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.217 -12.640 2.638 1.00 0.00 H new ATOM 0 HG SER A 34 -15.267 -13.899 2.706 1.00 0.00 H new ATOM 487 N ASN A 35 -16.785 -10.588 -0.159 1.00 0.00 N ATOM 488 CA ASN A 35 -16.897 -9.209 -0.609 1.00 0.00 C ATOM 489 C ASN A 35 -17.349 -8.360 0.525 1.00 0.00 C ATOM 490 O ASN A 35 -18.544 -8.077 0.716 1.00 0.00 O ATOM 491 CB ASN A 35 -17.758 -9.029 -1.876 1.00 0.00 C ATOM 492 CG ASN A 35 -17.165 -9.716 -3.093 1.00 0.00 C ATOM 493 OD1 ASN A 35 -15.953 -9.861 -3.216 1.00 0.00 O ATOM 494 ND2 ASN A 35 -18.007 -10.140 -3.993 1.00 0.00 N ATOM 0 H ASN A 35 -15.818 -10.892 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.907 -8.881 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -18.756 -9.426 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -17.872 -7.965 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.664 -10.609 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -19.009 -10.003 -3.859 1.00 0.00 H new ATOM 501 N THR A 36 -16.395 -8.012 1.320 1.00 0.00 N ATOM 502 CA THR A 36 -16.630 -7.331 2.537 1.00 0.00 C ATOM 503 C THR A 36 -16.254 -5.855 2.412 1.00 0.00 C ATOM 504 O THR A 36 -16.516 -5.052 3.310 1.00 0.00 O ATOM 505 CB THR A 36 -15.847 -8.028 3.657 1.00 0.00 C ATOM 506 OG1 THR A 36 -15.888 -9.458 3.416 1.00 0.00 O ATOM 507 CG2 THR A 36 -16.512 -7.777 4.981 1.00 0.00 C ATOM 0 H THR A 36 -15.410 -8.200 1.133 1.00 0.00 H new ATOM 0 HA THR A 36 -17.692 -7.365 2.781 1.00 0.00 H new ATOM 0 HB THR A 36 -14.825 -7.649 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.974 -9.803 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.950 -8.275 5.771 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.540 -6.705 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.529 -8.168 4.957 1.00 0.00 H new HETATM 515 N TYC A 37 -15.706 -5.523 1.256 1.00 0.00 N HETATM 516 CA TYC A 37 -15.285 -4.176 0.877 1.00 0.00 C HETATM 517 C TYC A 37 -14.430 -3.482 1.946 1.00 0.00 C HETATM 518 O TYC A 37 -14.943 -2.774 2.815 1.00 0.00 O HETATM 519 CB TYC A 37 -16.502 -3.328 0.494 1.00 0.00 C HETATM 520 CG TYC A 37 -17.269 -3.855 -0.704 1.00 0.00 C HETATM 521 CD1 TYC A 37 -17.004 -3.386 -1.981 1.00 0.00 C HETATM 522 CD2 TYC A 37 -18.247 -4.829 -0.560 1.00 0.00 C HETATM 523 CE1 TYC A 37 -17.687 -3.866 -3.075 1.00 0.00 C HETATM 524 CE2 TYC A 37 -18.936 -5.316 -1.650 1.00 0.00 C HETATM 525 OH TYC A 37 -19.340 -5.310 -3.996 1.00 0.00 O HETATM 526 CZ TYC A 37 -18.651 -4.831 -2.904 1.00 0.00 C HETATM 527 NXT TYC A 37 -13.140 -3.687 1.889 1.00 0.00 N HETATM 0 HT22 TYC A 37 -12.523 -3.251 2.574 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -12.750 -4.283 1.159 1.00 0.00 H new HETATM 0 HH TYC A 37 -19.984 -5.988 -3.704 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -19.702 -6.081 -1.518 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -17.465 -3.483 -4.071 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -18.474 -5.216 0.433 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -16.240 -2.622 -2.122 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -17.177 -3.272 1.348 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -16.171 -2.311 0.282 1.00 0.00 H new HETATM 0 HA TYC A 37 -14.637 -4.279 0.007 1.00 0.00 H new TER 539 TYC A 37