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 30 THR OG1 : rot 180:sc= 0.93 USER MOD Set 1.2: A 31 ASN : amide:sc= 0.189 K(o=1.1,f=-1.2!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.5) USER MOD Single : A 4 THR OG1 : rot 160:sc= -3.08! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 121:sc= 0.226 USER MOD Single : A 10 GLN : amide:sc= -0.663 K(o=-0.66,f=-0.02) USER MOD Single : A 14 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.0032) USER MOD Single : A 18 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.037) 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= -3.91! C(o=-3.9!,f=-3!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) 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 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.68! C(o=-2.7!,f=-4.2!) 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 -12.463 -17.994 -2.633 1.00 0.00 N ATOM 2 CA LYS A 1 -12.973 -19.135 -3.447 1.00 0.00 C ATOM 3 C LYS A 1 -11.862 -20.158 -3.682 1.00 0.00 C ATOM 4 O LYS A 1 -11.218 -20.162 -4.712 1.00 0.00 O ATOM 5 CB LYS A 1 -13.412 -18.513 -4.772 1.00 0.00 C ATOM 6 CG LYS A 1 -14.924 -18.286 -4.752 1.00 0.00 C ATOM 7 CD LYS A 1 -15.380 -17.775 -6.121 1.00 0.00 C ATOM 8 CE LYS A 1 -15.928 -18.941 -6.946 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.575 -18.611 -8.355 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.228 -17.307 -2.481 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.126 -18.346 -1.714 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.678 -17.533 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.789 -19.660 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.894 -17.568 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.143 -19.168 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.439 -19.215 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.184 -17.565 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.147 -17.011 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.545 -17.308 -6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.483 -19.887 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.006 -19.041 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.918 -19.365 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.018 -17.709 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.542 -18.529 -8.444 1.00 0.00 H new ATOM 25 N CYS A 2 -11.631 -21.028 -2.737 1.00 0.00 N ATOM 26 CA CYS A 2 -10.561 -22.049 -2.918 1.00 0.00 C ATOM 27 C CYS A 2 -10.884 -23.310 -2.110 1.00 0.00 C ATOM 28 O CYS A 2 -11.545 -24.211 -2.588 1.00 0.00 O ATOM 29 CB CYS A 2 -9.287 -21.396 -2.384 1.00 0.00 C ATOM 30 SG CYS A 2 -8.616 -20.252 -3.615 1.00 0.00 S ATOM 0 H CYS A 2 -12.135 -21.076 -1.851 1.00 0.00 H new ATOM 0 HA CYS A 2 -10.462 -22.351 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.502 -20.862 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -8.548 -22.161 -2.146 1.00 0.00 H new ATOM 35 N ASN A 3 -10.409 -23.372 -0.890 1.00 0.00 N ATOM 36 CA ASN A 3 -10.648 -24.558 -0.010 1.00 0.00 C ATOM 37 C ASN A 3 -9.573 -24.562 1.071 1.00 0.00 C ATOM 38 O ASN A 3 -9.744 -25.105 2.145 1.00 0.00 O ATOM 39 CB ASN A 3 -10.509 -25.797 -0.907 1.00 0.00 C ATOM 40 CG ASN A 3 -10.206 -27.029 -0.049 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.772 -27.199 1.012 1.00 0.00 O ATOM 42 ND2 ASN A 3 -9.331 -27.902 -0.468 1.00 0.00 N ATOM 0 H ASN A 3 -9.853 -22.634 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.629 -24.541 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.428 -25.953 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.711 -25.643 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.123 -28.726 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.855 -27.760 -1.359 1.00 0.00 H new ATOM 49 N THR A 4 -8.464 -23.940 0.782 1.00 0.00 N ATOM 50 CA THR A 4 -7.354 -23.872 1.764 1.00 0.00 C ATOM 51 C THR A 4 -7.021 -22.419 2.049 1.00 0.00 C ATOM 52 O THR A 4 -6.636 -21.677 1.172 1.00 0.00 O ATOM 53 CB THR A 4 -6.179 -24.586 1.096 1.00 0.00 C ATOM 54 OG1 THR A 4 -4.981 -24.271 1.789 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.068 -24.135 -0.361 1.00 0.00 C ATOM 0 H THR A 4 -8.281 -23.471 -0.105 1.00 0.00 H new ATOM 0 HA THR A 4 -7.605 -24.337 2.717 1.00 0.00 H new ATOM 0 HB THR A 4 -6.341 -25.663 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.300 -24.946 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.230 -24.644 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.989 -24.381 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.906 -23.058 -0.397 1.00 0.00 H new ATOM 63 N ALA A 5 -7.171 -22.016 3.280 1.00 0.00 N ATOM 64 CA ALA A 5 -6.867 -20.609 3.657 1.00 0.00 C ATOM 65 C ALA A 5 -5.633 -20.120 2.900 1.00 0.00 C ATOM 66 O ALA A 5 -5.487 -18.950 2.633 1.00 0.00 O ATOM 67 CB ALA A 5 -6.587 -20.657 5.158 1.00 0.00 C ATOM 0 H ALA A 5 -7.494 -22.607 4.046 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.683 -19.928 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.353 -19.655 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.467 -21.033 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.741 -21.317 5.349 1.00 0.00 H new ATOM 73 N THR A 6 -4.753 -21.010 2.534 1.00 0.00 N ATOM 74 CA THR A 6 -3.543 -20.576 1.777 1.00 0.00 C ATOM 75 C THR A 6 -3.989 -19.960 0.451 1.00 0.00 C ATOM 76 O THR A 6 -3.463 -18.961 -0.001 1.00 0.00 O ATOM 77 CB THR A 6 -2.718 -21.853 1.558 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.365 -21.501 1.309 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.268 -22.643 0.367 1.00 0.00 C ATOM 0 H THR A 6 -4.817 -22.010 2.723 1.00 0.00 H new ATOM 0 HA THR A 6 -2.952 -19.825 2.302 1.00 0.00 H new ATOM 0 HB THR A 6 -2.780 -22.474 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.836 -22.314 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.674 -23.545 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.305 -22.918 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.217 -22.028 -0.532 1.00 0.00 H new ATOM 87 N CYS A 7 -4.982 -20.546 -0.153 1.00 0.00 N ATOM 88 CA CYS A 7 -5.512 -20.011 -1.432 1.00 0.00 C ATOM 89 C CYS A 7 -6.556 -18.947 -1.118 1.00 0.00 C ATOM 90 O CYS A 7 -6.524 -17.849 -1.640 1.00 0.00 O ATOM 91 CB CYS A 7 -6.150 -21.219 -2.108 1.00 0.00 C ATOM 92 SG CYS A 7 -6.672 -20.781 -3.788 1.00 0.00 S ATOM 0 H CYS A 7 -5.454 -21.383 0.190 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.754 -19.550 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.440 -22.045 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.008 -21.560 -1.528 1.00 0.00 H new ATOM 97 N ALA A 8 -7.468 -19.261 -0.242 1.00 0.00 N ATOM 98 CA ALA A 8 -8.502 -18.266 0.142 1.00 0.00 C ATOM 99 C ALA A 8 -7.805 -17.021 0.675 1.00 0.00 C ATOM 100 O ALA A 8 -7.981 -15.943 0.159 1.00 0.00 O ATOM 101 CB ALA A 8 -9.329 -18.944 1.236 1.00 0.00 C ATOM 0 H ALA A 8 -7.541 -20.165 0.224 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.135 -17.961 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.115 -18.267 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.779 -19.855 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.683 -19.194 2.078 1.00 0.00 H new ATOM 107 N THR A 9 -6.985 -17.157 1.681 1.00 0.00 N ATOM 108 CA THR A 9 -6.271 -15.958 2.190 1.00 0.00 C ATOM 109 C THR A 9 -5.656 -15.228 1.000 1.00 0.00 C ATOM 110 O THR A 9 -5.748 -14.024 0.884 1.00 0.00 O ATOM 111 CB THR A 9 -5.183 -16.482 3.127 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.786 -17.229 4.175 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.407 -15.306 3.717 1.00 0.00 C ATOM 0 H THR A 9 -6.782 -18.032 2.164 1.00 0.00 H new ATOM 0 HA THR A 9 -6.926 -15.264 2.717 1.00 0.00 H new ATOM 0 HB THR A 9 -4.498 -17.122 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.434 -18.144 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.631 -15.680 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.947 -14.733 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.088 -14.664 4.276 1.00 0.00 H new ATOM 121 N GLN A 10 -5.047 -15.955 0.097 1.00 0.00 N ATOM 122 CA GLN A 10 -4.450 -15.298 -1.095 1.00 0.00 C ATOM 123 C GLN A 10 -5.553 -14.629 -1.922 1.00 0.00 C ATOM 124 O GLN A 10 -5.322 -13.686 -2.658 1.00 0.00 O ATOM 125 CB GLN A 10 -3.803 -16.433 -1.887 1.00 0.00 C ATOM 126 CG GLN A 10 -2.849 -15.852 -2.931 1.00 0.00 C ATOM 127 CD GLN A 10 -1.418 -15.914 -2.397 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.482 -16.087 -3.151 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.207 -15.782 -1.116 1.00 0.00 N ATOM 0 H GLN A 10 -4.940 -16.969 0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.729 -14.525 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.261 -17.097 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.571 -17.033 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.926 -16.412 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.121 -14.821 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.993 -15.637 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.256 -15.824 -0.749 1.00 0.00 H new ATOM 138 N ARG A 11 -6.762 -15.089 -1.772 1.00 0.00 N ATOM 139 CA ARG A 11 -7.893 -14.478 -2.517 1.00 0.00 C ATOM 140 C ARG A 11 -8.403 -13.349 -1.651 1.00 0.00 C ATOM 141 O ARG A 11 -8.606 -12.229 -2.083 1.00 0.00 O ATOM 142 CB ARG A 11 -8.922 -15.604 -2.650 1.00 0.00 C ATOM 143 CG ARG A 11 -8.560 -16.483 -3.850 1.00 0.00 C ATOM 144 CD ARG A 11 -9.623 -16.332 -4.941 1.00 0.00 C ATOM 145 NE ARG A 11 -9.047 -15.349 -5.901 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.568 -15.208 -7.092 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.426 -16.083 -7.545 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.226 -14.188 -7.832 1.00 0.00 N ATOM 0 H ARG A 11 -7.016 -15.866 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.646 -14.080 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.942 -16.203 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.920 -15.186 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.583 -16.198 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.488 -17.526 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.829 -17.286 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.566 -15.975 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.243 -14.784 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.693 -16.881 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.829 -15.968 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.555 -13.505 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.630 -14.074 -8.762 1.00 0.00 H new ATOM 162 N LEU A 12 -8.536 -13.647 -0.403 1.00 0.00 N ATOM 163 CA LEU A 12 -8.950 -12.636 0.580 1.00 0.00 C ATOM 164 C LEU A 12 -7.969 -11.468 0.519 1.00 0.00 C ATOM 165 O LEU A 12 -8.350 -10.314 0.545 1.00 0.00 O ATOM 166 CB LEU A 12 -8.836 -13.380 1.904 1.00 0.00 C ATOM 167 CG LEU A 12 -10.180 -14.013 2.263 1.00 0.00 C ATOM 168 CD1 LEU A 12 -11.169 -12.915 2.659 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.723 -14.780 1.055 1.00 0.00 C ATOM 0 H LEU A 12 -8.370 -14.575 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.947 -12.226 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.069 -14.151 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.526 -12.693 2.691 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.047 -14.701 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.128 -13.365 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.782 -12.370 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.302 -12.227 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.681 -15.231 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.857 -14.094 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.018 -15.562 0.773 1.00 0.00 H new ATOM 181 N ALA A 13 -6.702 -11.769 0.409 1.00 0.00 N ATOM 182 CA ALA A 13 -5.684 -10.688 0.316 1.00 0.00 C ATOM 183 C ALA A 13 -5.943 -9.885 -0.958 1.00 0.00 C ATOM 184 O ALA A 13 -5.717 -8.693 -1.018 1.00 0.00 O ATOM 185 CB ALA A 13 -4.334 -11.403 0.236 1.00 0.00 C ATOM 0 H ALA A 13 -6.330 -12.718 0.380 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.714 -10.001 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.535 -10.665 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.190 -12.009 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.314 -12.045 -0.645 1.00 0.00 H new ATOM 191 N ASN A 14 -6.442 -10.535 -1.971 1.00 0.00 N ATOM 192 CA ASN A 14 -6.749 -9.813 -3.234 1.00 0.00 C ATOM 193 C ASN A 14 -7.637 -8.620 -2.899 1.00 0.00 C ATOM 194 O ASN A 14 -7.411 -7.514 -3.350 1.00 0.00 O ATOM 195 CB ASN A 14 -7.498 -10.822 -4.107 1.00 0.00 C ATOM 196 CG ASN A 14 -7.352 -10.430 -5.578 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.391 -11.276 -6.450 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.182 -9.176 -5.891 1.00 0.00 N ATOM 0 H ASN A 14 -6.650 -11.534 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.861 -9.441 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.101 -11.824 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.552 -10.848 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.082 -8.904 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.150 -8.467 -5.158 1.00 0.00 H new ATOM 205 N PHE A 15 -8.629 -8.831 -2.077 1.00 0.00 N ATOM 206 CA PHE A 15 -9.507 -7.700 -1.679 1.00 0.00 C ATOM 207 C PHE A 15 -8.680 -6.736 -0.842 1.00 0.00 C ATOM 208 O PHE A 15 -8.968 -5.561 -0.756 1.00 0.00 O ATOM 209 CB PHE A 15 -10.628 -8.296 -0.819 1.00 0.00 C ATOM 210 CG PHE A 15 -11.043 -9.647 -1.348 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.041 -9.892 -2.723 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.431 -10.652 -0.455 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.429 -11.146 -3.209 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.821 -11.905 -0.940 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.820 -12.153 -2.317 1.00 0.00 C ATOM 0 H PHE A 15 -8.867 -9.734 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.919 -7.173 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.290 -8.392 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.485 -7.623 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.741 -9.115 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.429 -10.461 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.427 -11.337 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.123 -12.681 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.120 -13.120 -2.692 1.00 0.00 H new ATOM 225 N LEU A 16 -7.640 -7.229 -0.225 1.00 0.00 N ATOM 226 CA LEU A 16 -6.792 -6.328 0.603 1.00 0.00 C ATOM 227 C LEU A 16 -6.080 -5.333 -0.308 1.00 0.00 C ATOM 228 O LEU A 16 -5.973 -4.161 -0.006 1.00 0.00 O ATOM 229 CB LEU A 16 -5.792 -7.241 1.308 1.00 0.00 C ATOM 230 CG LEU A 16 -6.003 -7.148 2.817 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.639 -8.485 3.465 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.112 -6.043 3.383 1.00 0.00 C ATOM 0 H LEU A 16 -7.344 -8.205 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.369 -5.752 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.923 -8.270 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.773 -6.950 1.053 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.047 -6.917 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.789 -8.420 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.274 -9.272 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.594 -8.717 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.259 -5.973 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.068 -6.275 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.373 -5.092 2.919 1.00 0.00 H new ATOM 244 N VAL A 17 -5.607 -5.789 -1.433 1.00 0.00 N ATOM 245 CA VAL A 17 -4.919 -4.869 -2.376 1.00 0.00 C ATOM 246 C VAL A 17 -5.961 -4.036 -3.124 1.00 0.00 C ATOM 247 O VAL A 17 -5.734 -2.892 -3.457 1.00 0.00 O ATOM 248 CB VAL A 17 -4.167 -5.780 -3.344 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.250 -4.936 -4.231 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.327 -6.785 -2.552 1.00 0.00 C ATOM 0 H VAL A 17 -5.668 -6.760 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.246 -4.176 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.882 -6.316 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.713 -5.586 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.848 -4.221 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.535 -4.399 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.790 -7.435 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.612 -6.249 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.980 -7.387 -1.920 1.00 0.00 H new ATOM 260 N HIS A 18 -7.107 -4.608 -3.386 1.00 0.00 N ATOM 261 CA HIS A 18 -8.175 -3.861 -4.111 1.00 0.00 C ATOM 262 C HIS A 18 -9.021 -3.057 -3.126 1.00 0.00 C ATOM 263 O HIS A 18 -9.059 -1.843 -3.167 1.00 0.00 O ATOM 264 CB HIS A 18 -9.027 -4.940 -4.780 1.00 0.00 C ATOM 265 CG HIS A 18 -8.475 -5.222 -6.145 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.185 -5.943 -7.112 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.281 -4.879 -6.725 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.412 -6.009 -8.217 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.265 -5.379 -8.012 1.00 0.00 N ATOM 0 H HIS A 18 -7.349 -5.564 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.764 -3.154 -4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.024 -5.849 -4.178 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.063 -4.609 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.489 -4.315 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.689 -6.504 -9.136 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.505 -5.281 -8.685 1.00 0.00 H new ATOM 277 N SER A 19 -9.701 -3.727 -2.243 1.00 0.00 N ATOM 278 CA SER A 19 -10.551 -3.005 -1.252 1.00 0.00 C ATOM 279 C SER A 19 -9.740 -1.885 -0.601 1.00 0.00 C ATOM 280 O SER A 19 -10.259 -0.835 -0.278 1.00 0.00 O ATOM 281 CB SER A 19 -10.957 -4.051 -0.216 1.00 0.00 C ATOM 282 OG SER A 19 -12.172 -3.651 0.403 1.00 0.00 O ATOM 0 H SER A 19 -9.707 -4.744 -2.162 1.00 0.00 H new ATOM 0 HA SER A 19 -11.426 -2.548 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.081 -5.023 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.173 -4.161 0.533 1.00 0.00 H new ATOM 0 HG SER A 19 -12.437 -4.321 1.067 1.00 0.00 H new ATOM 288 N SER A 20 -8.466 -2.094 -0.423 1.00 0.00 N ATOM 289 CA SER A 20 -7.622 -1.037 0.182 1.00 0.00 C ATOM 290 C SER A 20 -7.163 -0.085 -0.917 1.00 0.00 C ATOM 291 O SER A 20 -6.822 1.046 -0.662 1.00 0.00 O ATOM 292 CB SER A 20 -6.432 -1.772 0.798 1.00 0.00 C ATOM 293 OG SER A 20 -5.774 -0.912 1.719 1.00 0.00 O ATOM 0 H SER A 20 -7.976 -2.953 -0.672 1.00 0.00 H new ATOM 0 HA SER A 20 -8.149 -0.448 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.771 -2.676 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.739 -2.085 0.017 1.00 0.00 H new ATOM 0 HG SER A 20 -5.011 -1.381 2.117 1.00 0.00 H new ATOM 299 N ASN A 21 -7.167 -0.537 -2.144 1.00 0.00 N ATOM 300 CA ASN A 21 -6.743 0.345 -3.270 1.00 0.00 C ATOM 301 C ASN A 21 -7.800 1.424 -3.517 1.00 0.00 C ATOM 302 O ASN A 21 -7.541 2.422 -4.157 1.00 0.00 O ATOM 303 CB ASN A 21 -6.632 -0.578 -4.485 1.00 0.00 C ATOM 304 CG ASN A 21 -5.158 -0.804 -4.825 1.00 0.00 C ATOM 305 OD1 ASN A 21 -4.788 -0.847 -5.981 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.293 -0.953 -3.858 1.00 0.00 N ATOM 0 H ASN A 21 -7.446 -1.480 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.803 0.855 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.118 -1.531 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.149 -0.137 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.308 -1.105 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.603 -0.917 -2.887 1.00 0.00 H new ATOM 313 N ASN A 22 -8.993 1.226 -3.021 1.00 0.00 N ATOM 314 CA ASN A 22 -10.071 2.245 -3.230 1.00 0.00 C ATOM 315 C ASN A 22 -9.504 3.665 -3.101 1.00 0.00 C ATOM 316 O ASN A 22 -9.470 4.427 -4.053 1.00 0.00 O ATOM 317 CB ASN A 22 -11.093 1.971 -2.126 1.00 0.00 C ATOM 318 CG ASN A 22 -12.450 2.552 -2.528 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.824 3.618 -2.077 1.00 0.00 O ATOM 320 ND2 ASN A 22 -13.208 1.895 -3.362 1.00 0.00 N ATOM 0 H ASN A 22 -9.270 0.406 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.513 2.176 -4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.181 0.898 -1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.759 2.416 -1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.114 2.275 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.895 1.001 -3.740 1.00 0.00 H new ATOM 327 N PHE A 23 -9.053 4.027 -1.932 1.00 0.00 N ATOM 328 CA PHE A 23 -8.483 5.393 -1.746 1.00 0.00 C ATOM 329 C PHE A 23 -7.394 5.640 -2.792 1.00 0.00 C ATOM 330 O PHE A 23 -7.054 6.766 -3.099 1.00 0.00 O ATOM 331 CB PHE A 23 -7.913 5.411 -0.321 1.00 0.00 C ATOM 332 CG PHE A 23 -6.555 4.750 -0.285 1.00 0.00 C ATOM 333 CD1 PHE A 23 -6.354 3.516 -0.909 1.00 0.00 C ATOM 334 CD2 PHE A 23 -5.495 5.375 0.380 1.00 0.00 C ATOM 335 CE1 PHE A 23 -5.094 2.905 -0.867 1.00 0.00 C ATOM 336 CE2 PHE A 23 -4.236 4.767 0.422 1.00 0.00 C ATOM 337 CZ PHE A 23 -4.035 3.531 -0.202 1.00 0.00 C ATOM 0 H PHE A 23 -9.054 3.439 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.226 6.180 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.833 6.439 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.593 4.894 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.171 3.033 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.649 6.329 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.941 1.950 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.419 5.252 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.063 3.061 -0.170 1.00 0.00 H new ATOM 347 N GLY A 24 -6.867 4.592 -3.362 1.00 0.00 N ATOM 348 CA GLY A 24 -5.824 4.754 -4.410 1.00 0.00 C ATOM 349 C GLY A 24 -6.527 5.031 -5.737 1.00 0.00 C ATOM 350 O GLY A 24 -6.054 5.790 -6.560 1.00 0.00 O ATOM 0 H GLY A 24 -7.116 3.627 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.153 5.574 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.214 3.854 -4.483 1.00 0.00 H new ATOM 354 N ALA A 25 -7.670 4.430 -5.939 1.00 0.00 N ATOM 355 CA ALA A 25 -8.423 4.671 -7.200 1.00 0.00 C ATOM 356 C ALA A 25 -8.818 6.146 -7.273 1.00 0.00 C ATOM 357 O ALA A 25 -9.201 6.650 -8.309 1.00 0.00 O ATOM 358 CB ALA A 25 -9.664 3.780 -7.106 1.00 0.00 C ATOM 0 H ALA A 25 -8.112 3.784 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.840 4.442 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.270 3.904 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.358 2.738 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.249 4.063 -6.231 1.00 0.00 H new ATOM 364 N ILE A 26 -8.708 6.845 -6.174 1.00 0.00 N ATOM 365 CA ILE A 26 -9.043 8.299 -6.168 1.00 0.00 C ATOM 366 C ILE A 26 -7.774 9.065 -6.471 1.00 0.00 C ATOM 367 O ILE A 26 -7.761 10.003 -7.241 1.00 0.00 O ATOM 368 CB ILE A 26 -9.555 8.578 -4.758 1.00 0.00 C ATOM 369 CG1 ILE A 26 -10.524 7.461 -4.354 1.00 0.00 C ATOM 370 CG2 ILE A 26 -10.281 9.924 -4.730 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.419 7.101 -5.548 1.00 0.00 C ATOM 0 H ILE A 26 -8.399 6.470 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.789 8.592 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.718 8.612 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.967 6.583 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.136 7.783 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.645 10.120 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.592 10.715 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.123 9.898 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.108 6.307 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.986 7.979 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.799 6.761 -6.378 1.00 0.00 H new ATOM 383 N LEU A 27 -6.689 8.622 -5.909 1.00 0.00 N ATOM 384 CA LEU A 27 -5.394 9.268 -6.205 1.00 0.00 C ATOM 385 C LEU A 27 -5.302 9.406 -7.720 1.00 0.00 C ATOM 386 O LEU A 27 -4.684 10.309 -8.248 1.00 0.00 O ATOM 387 CB LEU A 27 -4.364 8.276 -5.672 1.00 0.00 C ATOM 388 CG LEU A 27 -4.031 8.618 -4.218 1.00 0.00 C ATOM 389 CD1 LEU A 27 -3.149 7.518 -3.626 1.00 0.00 C ATOM 390 CD2 LEU A 27 -3.279 9.951 -4.166 1.00 0.00 C ATOM 0 H LEU A 27 -6.647 7.839 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.254 10.255 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.754 7.260 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.461 8.311 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.954 8.697 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.911 7.760 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.680 6.567 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.227 7.442 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.042 10.195 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.356 9.871 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.903 10.738 -4.590 1.00 0.00 H new ATOM 402 N SER A 28 -5.963 8.519 -8.417 1.00 0.00 N ATOM 403 CA SER A 28 -5.979 8.587 -9.899 1.00 0.00 C ATOM 404 C SER A 28 -6.353 10.008 -10.305 1.00 0.00 C ATOM 405 O SER A 28 -5.922 10.520 -11.320 1.00 0.00 O ATOM 406 CB SER A 28 -7.069 7.602 -10.318 1.00 0.00 C ATOM 407 OG SER A 28 -6.498 6.310 -10.468 1.00 0.00 O ATOM 0 H SER A 28 -6.495 7.747 -8.015 1.00 0.00 H new ATOM 0 HA SER A 28 -5.022 8.343 -10.361 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.861 7.578 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.525 7.922 -11.255 1.00 0.00 H new ATOM 0 HG SER A 28 -7.194 5.674 -10.735 1.00 0.00 H new ATOM 413 N SER A 29 -7.142 10.649 -9.491 1.00 0.00 N ATOM 414 CA SER A 29 -7.552 12.040 -9.768 1.00 0.00 C ATOM 415 C SER A 29 -7.166 12.881 -8.560 1.00 0.00 C ATOM 416 O SER A 29 -6.266 13.694 -8.607 1.00 0.00 O ATOM 417 CB SER A 29 -9.071 11.972 -9.919 1.00 0.00 C ATOM 418 OG SER A 29 -9.396 11.693 -11.275 1.00 0.00 O ATOM 0 H SER A 29 -7.524 10.255 -8.631 1.00 0.00 H new ATOM 0 HA SER A 29 -7.088 12.475 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.478 11.198 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.521 12.916 -9.612 1.00 0.00 H new ATOM 0 HG SER A 29 -10.370 11.647 -11.375 1.00 0.00 H new ATOM 424 N THR A 30 -7.844 12.664 -7.466 1.00 0.00 N ATOM 425 CA THR A 30 -7.544 13.412 -6.214 1.00 0.00 C ATOM 426 C THR A 30 -8.712 13.264 -5.245 1.00 0.00 C ATOM 427 O THR A 30 -8.605 12.664 -4.194 1.00 0.00 O ATOM 428 CB THR A 30 -7.369 14.885 -6.621 1.00 0.00 C ATOM 429 OG1 THR A 30 -7.649 15.715 -5.504 1.00 0.00 O ATOM 430 CG2 THR A 30 -8.303 15.269 -7.781 1.00 0.00 C ATOM 0 H THR A 30 -8.605 11.989 -7.387 1.00 0.00 H new ATOM 0 HA THR A 30 -6.648 13.036 -5.721 1.00 0.00 H new ATOM 0 HB THR A 30 -6.340 15.023 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.537 16.655 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.150 16.317 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.083 14.645 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.339 15.117 -7.479 1.00 0.00 H new ATOM 438 N ASN A 31 -9.820 13.809 -5.626 1.00 0.00 N ATOM 439 CA ASN A 31 -11.059 13.753 -4.799 1.00 0.00 C ATOM 440 C ASN A 31 -12.135 14.596 -5.486 1.00 0.00 C ATOM 441 O ASN A 31 -12.959 15.210 -4.841 1.00 0.00 O ATOM 442 CB ASN A 31 -10.683 14.352 -3.433 1.00 0.00 C ATOM 443 CG ASN A 31 -10.766 15.882 -3.479 1.00 0.00 C ATOM 444 OD1 ASN A 31 -11.767 16.456 -3.102 1.00 0.00 O ATOM 445 ND2 ASN A 31 -9.752 16.569 -3.928 1.00 0.00 N ATOM 0 H ASN A 31 -9.929 14.311 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.444 12.740 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.353 13.968 -2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.674 14.044 -3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.801 17.587 -3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.910 16.088 -4.245 1.00 0.00 H new ATOM 452 N VAL A 32 -12.104 14.645 -6.799 1.00 0.00 N ATOM 453 CA VAL A 32 -13.097 15.465 -7.563 1.00 0.00 C ATOM 454 C VAL A 32 -12.720 16.947 -7.478 1.00 0.00 C ATOM 455 O VAL A 32 -13.543 17.792 -7.186 1.00 0.00 O ATOM 456 CB VAL A 32 -14.460 15.217 -6.903 1.00 0.00 C ATOM 457 CG1 VAL A 32 -15.575 15.596 -7.878 1.00 0.00 C ATOM 458 CG2 VAL A 32 -14.592 13.737 -6.537 1.00 0.00 C ATOM 0 H VAL A 32 -11.427 14.147 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 32 -13.119 15.191 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.539 15.824 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.543 15.420 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.485 16.650 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.492 14.989 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.561 13.563 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.511 13.131 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.798 13.462 -5.842 1.00 0.00 H new ATOM 468 N GLY A 33 -11.477 17.269 -7.731 1.00 0.00 N ATOM 469 CA GLY A 33 -11.049 18.695 -7.662 1.00 0.00 C ATOM 470 C GLY A 33 -9.869 18.932 -8.612 1.00 0.00 C ATOM 471 O GLY A 33 -8.925 19.621 -8.283 1.00 0.00 O ATOM 0 H GLY A 33 -10.743 16.607 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.880 19.347 -7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.762 18.949 -6.641 1.00 0.00 H new ATOM 475 N SER A 34 -9.917 18.371 -9.791 1.00 0.00 N ATOM 476 CA SER A 34 -8.800 18.571 -10.762 1.00 0.00 C ATOM 477 C SER A 34 -7.463 18.144 -10.147 1.00 0.00 C ATOM 478 O SER A 34 -7.039 17.013 -10.286 1.00 0.00 O ATOM 479 CB SER A 34 -8.798 20.069 -11.058 1.00 0.00 C ATOM 480 OG SER A 34 -9.955 20.397 -11.816 1.00 0.00 O ATOM 0 H SER A 34 -10.681 17.783 -10.124 1.00 0.00 H new ATOM 0 HA SER A 34 -8.932 17.973 -11.664 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.786 20.636 -10.127 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.898 20.342 -11.609 1.00 0.00 H new ATOM 0 HG SER A 34 -9.959 21.358 -12.007 1.00 0.00 H new ATOM 486 N ASN A 35 -6.790 19.041 -9.475 1.00 0.00 N ATOM 487 CA ASN A 35 -5.478 18.684 -8.858 1.00 0.00 C ATOM 488 C ASN A 35 -4.482 18.261 -9.948 1.00 0.00 C ATOM 489 O ASN A 35 -4.863 17.845 -11.024 1.00 0.00 O ATOM 490 CB ASN A 35 -5.802 17.526 -7.899 1.00 0.00 C ATOM 491 CG ASN A 35 -4.646 16.521 -7.847 1.00 0.00 C ATOM 492 OD1 ASN A 35 -4.390 15.820 -8.807 1.00 0.00 O ATOM 493 ND2 ASN A 35 -3.934 16.421 -6.758 1.00 0.00 N ATOM 0 H ASN A 35 -7.091 20.004 -9.327 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.013 19.517 -8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.994 17.918 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.713 17.023 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.163 15.755 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.149 17.009 -5.953 1.00 0.00 H new ATOM 500 N THR A 36 -3.208 18.368 -9.674 1.00 0.00 N ATOM 501 CA THR A 36 -2.188 17.976 -10.691 1.00 0.00 C ATOM 502 C THR A 36 -2.483 16.571 -11.226 1.00 0.00 C ATOM 503 O THR A 36 -1.989 15.586 -10.715 1.00 0.00 O ATOM 504 CB THR A 36 -0.854 17.995 -9.942 1.00 0.00 C ATOM 505 OG1 THR A 36 0.166 17.481 -10.786 1.00 0.00 O ATOM 506 CG2 THR A 36 -0.959 17.131 -8.682 1.00 0.00 C ATOM 0 H THR A 36 -2.830 18.710 -8.790 1.00 0.00 H new ATOM 0 HA THR A 36 -2.184 18.647 -11.550 1.00 0.00 H new ATOM 0 HB THR A 36 -0.612 19.019 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.022 17.493 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.008 17.146 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.743 17.525 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.201 16.106 -8.963 1.00 0.00 H new ATOM 514 N TYR A 37 -3.286 16.472 -12.252 1.00 0.00 N ATOM 515 CA TYR A 37 -3.611 15.133 -12.818 1.00 0.00 C ATOM 516 C TYR A 37 -2.371 14.518 -13.471 1.00 0.00 C ATOM 517 O TYR A 37 -1.278 14.943 -13.135 1.00 0.00 O ATOM 518 CB TYR A 37 -4.694 15.402 -13.864 1.00 0.00 C ATOM 519 CG TYR A 37 -4.196 16.420 -14.862 1.00 0.00 C ATOM 520 CD1 TYR A 37 -3.343 16.023 -15.897 1.00 0.00 C ATOM 521 CD2 TYR A 37 -4.587 17.760 -14.753 1.00 0.00 C ATOM 522 CE1 TYR A 37 -2.881 16.965 -16.824 1.00 0.00 C ATOM 523 CE2 TYR A 37 -4.125 18.702 -15.679 1.00 0.00 C ATOM 524 CZ TYR A 37 -3.272 18.304 -16.714 1.00 0.00 C ATOM 525 OH TYR A 37 -2.815 19.233 -17.628 1.00 0.00 O ATOM 526 OXT TYR A 37 -2.537 13.635 -14.295 1.00 0.00 O ATOM 0 H TYR A 37 -3.730 17.261 -12.722 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.946 14.430 -12.055 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.957 14.476 -14.375 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.599 15.767 -13.379 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.041 14.990 -15.981 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.246 18.067 -13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.223 16.658 -17.624 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.427 19.736 -15.595 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.182 20.115 -17.409 1.00 0.00 H new TER 536 TYR A 37