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 Set 1.1: A 3 ASN : amide:sc= -2.17! C(o=-5.1!,f=-6.3!) USER MOD Set 1.2: A 4 THR OG1 : rot 48:sc= -2.97! 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 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -111:sc= 0.206 USER MOD Single : A 10 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.79) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-2.4!) 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=-0.00723 X(o=-0.0072,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 28 SER OG : rot 82:sc= 1.24 USER MOD Single : A 29 SER OG : rot -22:sc= -0.3! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.506 K(o=-0.51,f=-5.4!) USER MOD Single : A 34 SER OG : rot 130:sc= 1.24 USER MOD Single : A 35 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.36) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.418 -18.572 2.454 1.00 0.00 N ATOM 2 CA LYS A 1 -14.250 -18.959 1.278 1.00 0.00 C ATOM 3 C LYS A 1 -13.368 -19.141 0.041 1.00 0.00 C ATOM 4 O LYS A 1 -12.994 -18.189 -0.615 1.00 0.00 O ATOM 5 CB LYS A 1 -15.218 -17.794 1.077 1.00 0.00 C ATOM 6 CG LYS A 1 -16.636 -18.245 1.430 1.00 0.00 C ATOM 7 CD LYS A 1 -16.743 -18.441 2.943 1.00 0.00 C ATOM 8 CE LYS A 1 -18.215 -18.552 3.346 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.295 -17.901 4.683 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.029 -18.452 3.287 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.717 -19.317 2.643 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.927 -17.678 2.253 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.773 -19.902 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.926 -16.952 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.181 -17.450 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.360 -17.502 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.873 -19.175 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.205 -19.341 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.276 -17.604 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.861 -18.053 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.534 -19.593 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.275 -17.937 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.674 -18.402 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.991 -16.909 4.605 1.00 0.00 H new ATOM 25 N CYS A 2 -13.035 -20.359 -0.282 1.00 0.00 N ATOM 26 CA CYS A 2 -12.180 -20.608 -1.477 1.00 0.00 C ATOM 27 C CYS A 2 -11.993 -22.117 -1.683 1.00 0.00 C ATOM 28 O CYS A 2 -12.821 -22.772 -2.283 1.00 0.00 O ATOM 29 CB CYS A 2 -10.844 -19.929 -1.157 1.00 0.00 C ATOM 30 SG CYS A 2 -9.649 -20.266 -2.479 1.00 0.00 S ATOM 0 H CYS A 2 -13.318 -21.194 0.230 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.620 -20.217 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.989 -18.854 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.459 -20.294 -0.205 1.00 0.00 H new ATOM 35 N ASN A 3 -10.913 -22.665 -1.191 1.00 0.00 N ATOM 36 CA ASN A 3 -10.658 -24.129 -1.355 1.00 0.00 C ATOM 37 C ASN A 3 -9.257 -24.454 -0.828 1.00 0.00 C ATOM 38 O ASN A 3 -8.641 -25.416 -1.232 1.00 0.00 O ATOM 39 CB ASN A 3 -10.729 -24.373 -2.870 1.00 0.00 C ATOM 40 CG ASN A 3 -10.265 -25.797 -3.197 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.092 -26.035 -3.402 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.146 -26.757 -3.269 1.00 0.00 N ATOM 0 H ASN A 3 -10.191 -22.158 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.370 -24.750 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.750 -24.225 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.103 -23.649 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.849 -27.706 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.132 -26.559 -3.097 1.00 0.00 H new ATOM 49 N THR A 4 -8.747 -23.639 0.062 1.00 0.00 N ATOM 50 CA THR A 4 -7.386 -23.848 0.621 1.00 0.00 C ATOM 51 C THR A 4 -6.966 -22.579 1.365 1.00 0.00 C ATOM 52 O THR A 4 -6.775 -21.538 0.777 1.00 0.00 O ATOM 53 CB THR A 4 -6.448 -24.099 -0.573 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.090 -23.765 -1.795 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.018 -25.570 -0.599 1.00 0.00 C ATOM 0 H THR A 4 -9.232 -22.821 0.429 1.00 0.00 H new ATOM 0 HA THR A 4 -7.353 -24.688 1.314 1.00 0.00 H new ATOM 0 HB THR A 4 -5.568 -23.466 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.506 -22.881 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.354 -25.740 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.495 -25.813 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.899 -26.205 -0.695 1.00 0.00 H new ATOM 63 N ALA A 5 -6.826 -22.662 2.654 1.00 0.00 N ATOM 64 CA ALA A 5 -6.412 -21.466 3.457 1.00 0.00 C ATOM 65 C ALA A 5 -5.285 -20.685 2.759 1.00 0.00 C ATOM 66 O ALA A 5 -5.030 -19.541 3.078 1.00 0.00 O ATOM 67 CB ALA A 5 -5.915 -22.037 4.785 1.00 0.00 C ATOM 0 H ALA A 5 -6.980 -23.511 3.198 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.237 -20.765 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.592 -21.222 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.722 -22.588 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.077 -22.709 4.601 1.00 0.00 H new ATOM 73 N THR A 6 -4.620 -21.283 1.804 1.00 0.00 N ATOM 74 CA THR A 6 -3.533 -20.568 1.083 1.00 0.00 C ATOM 75 C THR A 6 -4.153 -19.803 -0.079 1.00 0.00 C ATOM 76 O THR A 6 -3.686 -18.755 -0.481 1.00 0.00 O ATOM 77 CB THR A 6 -2.606 -21.674 0.568 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.617 -21.105 -0.280 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.425 -22.706 -0.218 1.00 0.00 C ATOM 0 H THR A 6 -4.787 -22.240 1.494 1.00 0.00 H new ATOM 0 HA THR A 6 -2.992 -19.857 1.707 1.00 0.00 H new ATOM 0 HB THR A 6 -2.122 -22.165 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.022 -21.811 -0.609 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.765 -23.492 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.182 -23.142 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.911 -22.218 -1.063 1.00 0.00 H new ATOM 87 N CYS A 7 -5.221 -20.329 -0.606 1.00 0.00 N ATOM 88 CA CYS A 7 -5.918 -19.664 -1.731 1.00 0.00 C ATOM 89 C CYS A 7 -6.887 -18.626 -1.166 1.00 0.00 C ATOM 90 O CYS A 7 -7.033 -17.541 -1.694 1.00 0.00 O ATOM 91 CB CYS A 7 -6.650 -20.803 -2.450 1.00 0.00 C ATOM 92 SG CYS A 7 -8.152 -21.259 -1.549 1.00 0.00 S ATOM 0 H CYS A 7 -5.644 -21.205 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.255 -19.133 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.906 -20.496 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.993 -21.669 -2.536 1.00 0.00 H new ATOM 97 N ALA A 8 -7.524 -18.941 -0.071 1.00 0.00 N ATOM 98 CA ALA A 8 -8.452 -17.964 0.556 1.00 0.00 C ATOM 99 C ALA A 8 -7.635 -16.768 1.018 1.00 0.00 C ATOM 100 O ALA A 8 -7.966 -15.630 0.754 1.00 0.00 O ATOM 101 CB ALA A 8 -9.065 -18.696 1.749 1.00 0.00 C ATOM 0 H ALA A 8 -7.440 -19.834 0.415 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.228 -17.607 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.763 -18.035 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.595 -19.582 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.275 -18.994 2.438 1.00 0.00 H new ATOM 107 N THR A 9 -6.539 -17.024 1.678 1.00 0.00 N ATOM 108 CA THR A 9 -5.673 -15.904 2.121 1.00 0.00 C ATOM 109 C THR A 9 -5.248 -15.122 0.883 1.00 0.00 C ATOM 110 O THR A 9 -5.243 -13.909 0.868 1.00 0.00 O ATOM 111 CB THR A 9 -4.465 -16.568 2.783 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.079 -17.707 2.025 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.830 -16.996 4.206 1.00 0.00 C ATOM 0 H THR A 9 -6.210 -17.957 1.927 1.00 0.00 H new ATOM 0 HA THR A 9 -6.166 -15.217 2.809 1.00 0.00 H new ATOM 0 HB THR A 9 -3.637 -15.860 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.275 -18.521 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.968 -17.469 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.124 -16.121 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.658 -17.704 4.172 1.00 0.00 H new ATOM 121 N GLN A 10 -4.907 -15.824 -0.167 1.00 0.00 N ATOM 122 CA GLN A 10 -4.500 -15.142 -1.420 1.00 0.00 C ATOM 123 C GLN A 10 -5.737 -14.584 -2.133 1.00 0.00 C ATOM 124 O GLN A 10 -5.641 -13.750 -3.015 1.00 0.00 O ATOM 125 CB GLN A 10 -3.837 -16.229 -2.268 1.00 0.00 C ATOM 126 CG GLN A 10 -2.505 -16.637 -1.634 1.00 0.00 C ATOM 127 CD GLN A 10 -1.524 -15.463 -1.693 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.672 -15.412 -2.557 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.609 -14.513 -0.802 1.00 0.00 N ATOM 0 H GLN A 10 -4.895 -16.843 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.827 -14.304 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.494 -17.095 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.672 -15.863 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.662 -16.941 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.090 -17.497 -2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.325 -14.557 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.960 -13.727 -0.831 1.00 0.00 H new ATOM 138 N ARG A 11 -6.904 -15.008 -1.730 1.00 0.00 N ATOM 139 CA ARG A 11 -8.145 -14.485 -2.360 1.00 0.00 C ATOM 140 C ARG A 11 -8.551 -13.273 -1.560 1.00 0.00 C ATOM 141 O ARG A 11 -8.885 -12.226 -2.078 1.00 0.00 O ATOM 142 CB ARG A 11 -9.171 -15.612 -2.218 1.00 0.00 C ATOM 143 CG ARG A 11 -10.468 -15.230 -2.936 1.00 0.00 C ATOM 144 CD ARG A 11 -10.149 -14.629 -4.308 1.00 0.00 C ATOM 145 NE ARG A 11 -9.255 -15.612 -4.975 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.862 -15.398 -6.199 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.747 -15.221 -7.141 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.588 -15.351 -6.480 1.00 0.00 N ATOM 0 H ARG A 11 -7.049 -15.695 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.040 -14.201 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.771 -16.535 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.371 -15.802 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.101 -16.109 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.028 -14.512 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.058 -14.470 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.661 -13.660 -4.208 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.951 -16.449 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.742 -15.250 -6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.444 -15.053 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.898 -15.482 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.283 -15.183 -7.439 1.00 0.00 H new ATOM 162 N LEU A 12 -8.458 -13.419 -0.279 1.00 0.00 N ATOM 163 CA LEU A 12 -8.760 -12.304 0.632 1.00 0.00 C ATOM 164 C LEU A 12 -7.776 -11.169 0.362 1.00 0.00 C ATOM 165 O LEU A 12 -8.149 -10.018 0.257 1.00 0.00 O ATOM 166 CB LEU A 12 -8.541 -12.918 2.010 1.00 0.00 C ATOM 167 CG LEU A 12 -9.861 -13.468 2.555 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.954 -14.965 2.253 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.916 -13.249 4.069 1.00 0.00 C ATOM 0 H LEU A 12 -8.179 -14.285 0.183 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.760 -11.884 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.803 -13.718 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.141 -12.168 2.692 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.695 -12.950 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.894 -15.357 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.913 -15.122 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.121 -15.484 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.856 -13.640 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.082 -13.768 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.849 -12.183 4.285 1.00 0.00 H new ATOM 181 N ALA A 13 -6.522 -11.496 0.218 1.00 0.00 N ATOM 182 CA ALA A 13 -5.513 -10.444 -0.079 1.00 0.00 C ATOM 183 C ALA A 13 -5.804 -9.863 -1.460 1.00 0.00 C ATOM 184 O ALA A 13 -5.473 -8.732 -1.758 1.00 0.00 O ATOM 185 CB ALA A 13 -4.160 -11.157 -0.073 1.00 0.00 C ATOM 0 H ALA A 13 -6.154 -12.444 0.293 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.529 -9.628 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.369 -10.438 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.989 -11.605 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.156 -11.937 -0.835 1.00 0.00 H new ATOM 191 N ASN A 14 -6.437 -10.637 -2.300 1.00 0.00 N ATOM 192 CA ASN A 14 -6.774 -10.147 -3.662 1.00 0.00 C ATOM 193 C ASN A 14 -7.645 -8.900 -3.547 1.00 0.00 C ATOM 194 O ASN A 14 -7.429 -7.920 -4.226 1.00 0.00 O ATOM 195 CB ASN A 14 -7.553 -11.288 -4.319 1.00 0.00 C ATOM 196 CG ASN A 14 -7.368 -11.224 -5.836 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.322 -11.571 -6.348 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.347 -10.790 -6.583 1.00 0.00 N ATOM 0 H ASN A 14 -6.735 -11.591 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.892 -9.880 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.203 -12.248 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.611 -11.213 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.233 -10.742 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.225 -10.499 -6.154 1.00 0.00 H new ATOM 205 N PHE A 15 -8.619 -8.928 -2.676 1.00 0.00 N ATOM 206 CA PHE A 15 -9.494 -7.735 -2.504 1.00 0.00 C ATOM 207 C PHE A 15 -8.817 -6.764 -1.549 1.00 0.00 C ATOM 208 O PHE A 15 -9.128 -5.592 -1.511 1.00 0.00 O ATOM 209 CB PHE A 15 -10.802 -8.242 -1.884 1.00 0.00 C ATOM 210 CG PHE A 15 -11.093 -9.652 -2.341 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.867 -10.019 -3.670 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.591 -10.590 -1.429 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.136 -11.326 -4.089 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.859 -11.896 -1.846 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.634 -12.266 -3.176 1.00 0.00 C ATOM 0 H PHE A 15 -8.845 -9.723 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.680 -7.226 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.731 -8.213 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.624 -7.585 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.485 -9.294 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.768 -10.304 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.960 -11.611 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.240 -12.620 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.844 -13.275 -3.499 1.00 0.00 H new ATOM 225 N LEU A 16 -7.886 -7.245 -0.776 1.00 0.00 N ATOM 226 CA LEU A 16 -7.185 -6.340 0.174 1.00 0.00 C ATOM 227 C LEU A 16 -6.257 -5.411 -0.608 1.00 0.00 C ATOM 228 O LEU A 16 -6.445 -4.214 -0.639 1.00 0.00 O ATOM 229 CB LEU A 16 -6.393 -7.266 1.093 1.00 0.00 C ATOM 230 CG LEU A 16 -6.703 -6.929 2.552 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.158 -7.288 2.862 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.775 -7.734 3.466 1.00 0.00 C ATOM 0 H LEU A 16 -7.582 -8.218 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.866 -5.708 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.649 -8.305 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.325 -7.157 0.903 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.549 -5.863 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.378 -7.048 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.820 -6.719 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.313 -8.354 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.993 -7.496 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.932 -8.799 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.738 -7.481 3.246 1.00 0.00 H new ATOM 244 N VAL A 17 -5.267 -5.953 -1.261 1.00 0.00 N ATOM 245 CA VAL A 17 -4.348 -5.088 -2.053 1.00 0.00 C ATOM 246 C VAL A 17 -5.135 -4.370 -3.153 1.00 0.00 C ATOM 247 O VAL A 17 -4.758 -3.311 -3.608 1.00 0.00 O ATOM 248 CB VAL A 17 -3.323 -6.045 -2.665 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.322 -5.255 -3.511 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.579 -6.773 -1.545 1.00 0.00 C ATOM 0 H VAL A 17 -5.055 -6.951 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.869 -4.322 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.836 -6.770 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.593 -5.939 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.851 -4.734 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.808 -4.528 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.848 -7.456 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.068 -6.045 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.291 -7.338 -0.943 1.00 0.00 H new ATOM 260 N HIS A 18 -6.228 -4.940 -3.581 1.00 0.00 N ATOM 261 CA HIS A 18 -7.035 -4.288 -4.652 1.00 0.00 C ATOM 262 C HIS A 18 -8.026 -3.290 -4.049 1.00 0.00 C ATOM 263 O HIS A 18 -8.088 -2.144 -4.446 1.00 0.00 O ATOM 264 CB HIS A 18 -7.793 -5.431 -5.326 1.00 0.00 C ATOM 265 CG HIS A 18 -6.851 -6.229 -6.186 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.069 -6.412 -7.558 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.682 -6.898 -5.900 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.055 -7.162 -8.037 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.210 -7.468 -7.065 1.00 0.00 N ATOM 0 H HIS A 18 -6.597 -5.827 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.408 -3.733 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.245 -6.075 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.606 -5.033 -5.933 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.214 -6.965 -4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.948 -7.469 -9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.361 -8.026 -7.160 1.00 0.00 H new ATOM 277 N SER A 19 -8.815 -3.723 -3.106 1.00 0.00 N ATOM 278 CA SER A 19 -9.820 -2.803 -2.496 1.00 0.00 C ATOM 279 C SER A 19 -9.171 -1.880 -1.456 1.00 0.00 C ATOM 280 O SER A 19 -9.665 -0.804 -1.180 1.00 0.00 O ATOM 281 CB SER A 19 -10.845 -3.727 -1.838 1.00 0.00 C ATOM 282 OG SER A 19 -12.134 -3.132 -1.916 1.00 0.00 O ATOM 0 H SER A 19 -8.809 -4.671 -2.731 1.00 0.00 H new ATOM 0 HA SER A 19 -10.272 -2.146 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.849 -4.697 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.576 -3.904 -0.797 1.00 0.00 H new ATOM 0 HG SER A 19 -12.793 -3.723 -1.496 1.00 0.00 H new ATOM 288 N SER A 20 -8.076 -2.287 -0.873 1.00 0.00 N ATOM 289 CA SER A 20 -7.414 -1.421 0.149 1.00 0.00 C ATOM 290 C SER A 20 -6.387 -0.495 -0.505 1.00 0.00 C ATOM 291 O SER A 20 -6.298 0.673 -0.180 1.00 0.00 O ATOM 292 CB SER A 20 -6.726 -2.388 1.111 1.00 0.00 C ATOM 293 OG SER A 20 -6.558 -1.756 2.372 1.00 0.00 O ATOM 0 H SER A 20 -7.612 -3.176 -1.058 1.00 0.00 H new ATOM 0 HA SER A 20 -8.132 -0.779 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.322 -3.294 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.758 -2.690 0.711 1.00 0.00 H new ATOM 0 HG SER A 20 -6.118 -2.375 2.992 1.00 0.00 H new ATOM 299 N ASN A 21 -5.607 -1.000 -1.418 1.00 0.00 N ATOM 300 CA ASN A 21 -4.586 -0.132 -2.075 1.00 0.00 C ATOM 301 C ASN A 21 -5.269 0.946 -2.913 1.00 0.00 C ATOM 302 O ASN A 21 -5.023 2.118 -2.751 1.00 0.00 O ATOM 303 CB ASN A 21 -3.768 -1.065 -2.968 1.00 0.00 C ATOM 304 CG ASN A 21 -2.440 -0.394 -3.323 1.00 0.00 C ATOM 305 OD1 ASN A 21 -2.200 -0.061 -4.467 1.00 0.00 O ATOM 306 ND2 ASN A 21 -1.560 -0.180 -2.384 1.00 0.00 N ATOM 0 H ASN A 21 -5.630 -1.968 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.958 0.379 -1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.585 -2.009 -2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.325 -1.298 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.671 0.267 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.761 -0.459 -1.424 1.00 0.00 H new ATOM 313 N ASN A 22 -6.127 0.560 -3.807 1.00 0.00 N ATOM 314 CA ASN A 22 -6.817 1.577 -4.650 1.00 0.00 C ATOM 315 C ASN A 22 -7.545 2.594 -3.763 1.00 0.00 C ATOM 316 O ASN A 22 -7.697 3.750 -4.108 1.00 0.00 O ATOM 317 CB ASN A 22 -7.816 0.776 -5.483 1.00 0.00 C ATOM 318 CG ASN A 22 -7.151 0.327 -6.786 1.00 0.00 C ATOM 319 OD1 ASN A 22 -6.766 -0.818 -6.922 1.00 0.00 O ATOM 320 ND2 ASN A 22 -6.999 1.186 -7.757 1.00 0.00 N ATOM 0 H ASN A 22 -6.383 -0.410 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.124 2.143 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.161 -0.092 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.694 1.384 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.557 0.896 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.322 2.147 -7.643 1.00 0.00 H new ATOM 327 N PHE A 23 -8.002 2.166 -2.622 1.00 0.00 N ATOM 328 CA PHE A 23 -8.734 3.089 -1.709 1.00 0.00 C ATOM 329 C PHE A 23 -7.761 4.051 -1.005 1.00 0.00 C ATOM 330 O PHE A 23 -7.956 5.250 -1.005 1.00 0.00 O ATOM 331 CB PHE A 23 -9.442 2.145 -0.716 1.00 0.00 C ATOM 332 CG PHE A 23 -9.333 2.653 0.707 1.00 0.00 C ATOM 333 CD1 PHE A 23 -9.742 3.954 1.018 1.00 0.00 C ATOM 334 CD2 PHE A 23 -8.829 1.817 1.713 1.00 0.00 C ATOM 335 CE1 PHE A 23 -9.645 4.422 2.334 1.00 0.00 C ATOM 336 CE2 PHE A 23 -8.733 2.286 3.029 1.00 0.00 C ATOM 337 CZ PHE A 23 -9.141 3.588 3.338 1.00 0.00 C ATOM 0 H PHE A 23 -7.900 1.211 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.441 3.735 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.493 2.049 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.003 1.150 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.132 4.597 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.515 0.812 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.959 5.427 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.344 1.643 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.067 3.950 4.353 1.00 0.00 H new ATOM 347 N GLY A 24 -6.731 3.537 -0.391 1.00 0.00 N ATOM 348 CA GLY A 24 -5.772 4.426 0.330 1.00 0.00 C ATOM 349 C GLY A 24 -4.643 4.883 -0.601 1.00 0.00 C ATOM 350 O GLY A 24 -4.135 5.979 -0.476 1.00 0.00 O ATOM 0 H GLY A 24 -6.511 2.542 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.300 5.295 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.352 3.897 1.185 1.00 0.00 H new ATOM 354 N ALA A 25 -4.232 4.053 -1.518 1.00 0.00 N ATOM 355 CA ALA A 25 -3.117 4.443 -2.434 1.00 0.00 C ATOM 356 C ALA A 25 -3.559 5.528 -3.424 1.00 0.00 C ATOM 357 O ALA A 25 -2.759 6.327 -3.867 1.00 0.00 O ATOM 358 CB ALA A 25 -2.737 3.164 -3.180 1.00 0.00 C ATOM 0 H ALA A 25 -4.617 3.122 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.278 4.860 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.922 3.375 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.418 2.406 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.600 2.797 -3.736 1.00 0.00 H new ATOM 364 N ILE A 26 -4.815 5.575 -3.781 1.00 0.00 N ATOM 365 CA ILE A 26 -5.261 6.625 -4.739 1.00 0.00 C ATOM 366 C ILE A 26 -5.732 7.826 -3.945 1.00 0.00 C ATOM 367 O ILE A 26 -5.405 8.956 -4.243 1.00 0.00 O ATOM 368 CB ILE A 26 -6.375 5.962 -5.539 1.00 0.00 C ATOM 369 CG1 ILE A 26 -5.884 4.575 -5.973 1.00 0.00 C ATOM 370 CG2 ILE A 26 -6.704 6.805 -6.775 1.00 0.00 C ATOM 371 CD1 ILE A 26 -4.417 4.661 -6.414 1.00 0.00 C ATOM 0 H ILE A 26 -5.543 4.939 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.484 6.988 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.276 5.874 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.985 3.868 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.499 4.201 -6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.501 6.324 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.028 7.798 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.816 6.894 -7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.071 3.674 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.329 5.354 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.808 5.016 -5.583 1.00 0.00 H new ATOM 383 N LEU A 27 -6.439 7.579 -2.887 1.00 0.00 N ATOM 384 CA LEU A 27 -6.857 8.697 -2.020 1.00 0.00 C ATOM 385 C LEU A 27 -5.604 9.507 -1.695 1.00 0.00 C ATOM 386 O LEU A 27 -5.653 10.689 -1.418 1.00 0.00 O ATOM 387 CB LEU A 27 -7.405 8.006 -0.779 1.00 0.00 C ATOM 388 CG LEU A 27 -8.912 7.795 -0.927 1.00 0.00 C ATOM 389 CD1 LEU A 27 -9.432 7.001 0.271 1.00 0.00 C ATOM 390 CD2 LEU A 27 -9.617 9.154 -0.976 1.00 0.00 C ATOM 0 H LEU A 27 -6.744 6.653 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.594 9.372 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.907 7.047 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.198 8.609 0.105 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.113 7.247 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.506 6.849 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.931 6.034 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.230 7.553 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.691 9.003 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.416 9.701 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.246 9.726 -1.826 1.00 0.00 H new ATOM 402 N SER A 28 -4.475 8.848 -1.755 1.00 0.00 N ATOM 403 CA SER A 28 -3.173 9.513 -1.484 1.00 0.00 C ATOM 404 C SER A 28 -2.859 10.521 -2.593 1.00 0.00 C ATOM 405 O SER A 28 -1.922 11.289 -2.503 1.00 0.00 O ATOM 406 CB SER A 28 -2.164 8.366 -1.519 1.00 0.00 C ATOM 407 OG SER A 28 -2.166 7.698 -0.263 1.00 0.00 O ATOM 0 H SER A 28 -4.404 7.857 -1.985 1.00 0.00 H new ATOM 0 HA SER A 28 -3.163 10.060 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.419 7.667 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.168 8.750 -1.738 1.00 0.00 H new ATOM 0 HG SER A 28 -2.911 7.062 -0.232 1.00 0.00 H new ATOM 413 N SER A 29 -3.635 10.513 -3.643 1.00 0.00 N ATOM 414 CA SER A 29 -3.389 11.453 -4.766 1.00 0.00 C ATOM 415 C SER A 29 -4.672 11.628 -5.579 1.00 0.00 C ATOM 416 O SER A 29 -4.714 11.361 -6.763 1.00 0.00 O ATOM 417 CB SER A 29 -2.302 10.790 -5.613 1.00 0.00 C ATOM 418 OG SER A 29 -1.176 10.505 -4.793 1.00 0.00 O ATOM 0 H SER A 29 -4.433 9.890 -3.769 1.00 0.00 H new ATOM 0 HA SER A 29 -3.084 12.442 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.683 9.872 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.012 11.447 -6.433 1.00 0.00 H new ATOM 0 HG SER A 29 -1.188 11.090 -4.007 1.00 0.00 H new ATOM 424 N THR A 30 -5.712 12.086 -4.948 1.00 0.00 N ATOM 425 CA THR A 30 -6.998 12.301 -5.669 1.00 0.00 C ATOM 426 C THR A 30 -6.753 13.228 -6.852 1.00 0.00 C ATOM 427 O THR A 30 -7.243 13.021 -7.945 1.00 0.00 O ATOM 428 CB THR A 30 -7.911 12.968 -4.638 1.00 0.00 C ATOM 429 OG1 THR A 30 -9.264 12.843 -5.052 1.00 0.00 O ATOM 430 CG2 THR A 30 -7.549 14.450 -4.505 1.00 0.00 C ATOM 0 H THR A 30 -5.729 12.323 -3.956 1.00 0.00 H new ATOM 0 HA THR A 30 -7.435 11.381 -6.058 1.00 0.00 H new ATOM 0 HB THR A 30 -7.780 12.480 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.849 13.269 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.202 14.920 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.512 14.544 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.674 14.943 -5.469 1.00 0.00 H new ATOM 438 N ASN A 31 -5.973 14.241 -6.628 1.00 0.00 N ATOM 439 CA ASN A 31 -5.647 15.194 -7.714 1.00 0.00 C ATOM 440 C ASN A 31 -4.324 14.771 -8.337 1.00 0.00 C ATOM 441 O ASN A 31 -3.739 15.486 -9.125 1.00 0.00 O ATOM 442 CB ASN A 31 -5.519 16.558 -7.035 1.00 0.00 C ATOM 443 CG ASN A 31 -4.460 16.480 -5.932 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.746 16.063 -4.827 1.00 0.00 O ATOM 445 ND2 ASN A 31 -3.241 16.868 -6.188 1.00 0.00 N ATOM 0 H ASN A 31 -5.543 14.451 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.399 15.224 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.242 17.316 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.478 16.858 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.528 16.821 -5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.001 17.218 -7.116 1.00 0.00 H new ATOM 452 N VAL A 32 -3.850 13.604 -7.973 1.00 0.00 N ATOM 453 CA VAL A 32 -2.566 13.112 -8.530 1.00 0.00 C ATOM 454 C VAL A 32 -1.444 14.087 -8.159 1.00 0.00 C ATOM 455 O VAL A 32 -0.669 14.529 -8.983 1.00 0.00 O ATOM 456 CB VAL A 32 -2.818 13.047 -10.039 1.00 0.00 C ATOM 457 CG1 VAL A 32 -1.494 13.035 -10.807 1.00 0.00 C ATOM 458 CG2 VAL A 32 -3.592 11.770 -10.362 1.00 0.00 C ATOM 0 H VAL A 32 -4.304 12.974 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.254 12.141 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.391 13.925 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.695 12.989 -11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.934 13.943 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.909 12.165 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.775 11.717 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.010 10.903 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.544 11.778 -9.832 1.00 0.00 H new ATOM 468 N GLY A 33 -1.358 14.425 -6.903 1.00 0.00 N ATOM 469 CA GLY A 33 -0.296 15.367 -6.450 1.00 0.00 C ATOM 470 C GLY A 33 0.615 14.660 -5.446 1.00 0.00 C ATOM 471 O GLY A 33 1.488 13.900 -5.814 1.00 0.00 O ATOM 0 H GLY A 33 -1.980 14.088 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.286 15.714 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.747 16.247 -5.992 1.00 0.00 H new ATOM 475 N SER A 34 0.418 14.903 -4.177 1.00 0.00 N ATOM 476 CA SER A 34 1.270 14.244 -3.143 1.00 0.00 C ATOM 477 C SER A 34 2.734 14.222 -3.594 1.00 0.00 C ATOM 478 O SER A 34 3.501 13.366 -3.201 1.00 0.00 O ATOM 479 CB SER A 34 0.724 12.822 -3.025 1.00 0.00 C ATOM 480 OG SER A 34 0.272 12.603 -1.695 1.00 0.00 O ATOM 0 H SER A 34 -0.298 15.531 -3.811 1.00 0.00 H new ATOM 0 HA SER A 34 1.241 14.772 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.095 12.675 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.499 12.100 -3.282 1.00 0.00 H new ATOM 0 HG SER A 34 -0.638 12.239 -1.714 1.00 0.00 H new ATOM 486 N ASN A 35 3.124 15.161 -4.411 1.00 0.00 N ATOM 487 CA ASN A 35 4.538 15.200 -4.884 1.00 0.00 C ATOM 488 C ASN A 35 5.074 16.631 -4.804 1.00 0.00 C ATOM 489 O ASN A 35 5.569 17.176 -5.770 1.00 0.00 O ATOM 490 CB ASN A 35 4.484 14.721 -6.337 1.00 0.00 C ATOM 491 CG ASN A 35 5.906 14.574 -6.885 1.00 0.00 C ATOM 492 OD1 ASN A 35 6.315 15.314 -7.757 1.00 0.00 O ATOM 493 ND2 ASN A 35 6.683 13.639 -6.406 1.00 0.00 N ATOM 0 H ASN A 35 2.525 15.904 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 35 5.198 14.578 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.961 13.767 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.922 15.431 -6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.632 13.531 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.341 13.017 -5.674 1.00 0.00 H new ATOM 500 N THR A 36 4.973 17.242 -3.655 1.00 0.00 N ATOM 501 CA THR A 36 5.470 18.640 -3.502 1.00 0.00 C ATOM 502 C THR A 36 6.303 18.765 -2.223 1.00 0.00 C ATOM 503 O THR A 36 5.777 18.978 -1.148 1.00 0.00 O ATOM 504 CB THR A 36 4.209 19.505 -3.408 1.00 0.00 C ATOM 505 OG1 THR A 36 3.076 18.670 -3.203 1.00 0.00 O ATOM 506 CG2 THR A 36 4.035 20.304 -4.701 1.00 0.00 C ATOM 0 H THR A 36 4.567 16.833 -2.814 1.00 0.00 H new ATOM 0 HA THR A 36 6.109 18.944 -4.331 1.00 0.00 H new ATOM 0 HB THR A 36 4.305 20.196 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.269 19.223 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.137 20.918 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.903 20.946 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.941 19.618 -5.543 1.00 0.00 H new ATOM 514 N TYR A 37 7.597 18.636 -2.330 1.00 0.00 N ATOM 515 CA TYR A 37 8.462 18.748 -1.121 1.00 0.00 C ATOM 516 C TYR A 37 8.452 20.189 -0.602 1.00 0.00 C ATOM 517 O TYR A 37 8.784 20.384 0.555 1.00 0.00 O ATOM 518 CB TYR A 37 9.860 18.356 -1.601 1.00 0.00 C ATOM 519 CG TYR A 37 10.301 19.300 -2.695 1.00 0.00 C ATOM 520 CD1 TYR A 37 10.800 20.567 -2.369 1.00 0.00 C ATOM 521 CD2 TYR A 37 10.208 18.907 -4.036 1.00 0.00 C ATOM 522 CE1 TYR A 37 11.205 21.441 -3.385 1.00 0.00 C ATOM 523 CE2 TYR A 37 10.615 19.782 -5.050 1.00 0.00 C ATOM 524 CZ TYR A 37 11.113 21.048 -4.725 1.00 0.00 C ATOM 525 OH TYR A 37 11.513 21.910 -5.727 1.00 0.00 O ATOM 526 OXT TYR A 37 8.110 21.071 -1.372 1.00 0.00 O ATOM 0 H TYR A 37 8.093 18.458 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 37 8.121 18.114 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.564 18.391 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.855 17.331 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.872 20.870 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.823 17.930 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.589 22.419 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.544 19.479 -6.084 1.00 0.00 H new ATOM 0 HH TYR A 37 11.384 21.481 -6.599 1.00 0.00 H new TER 536 TYR A 37