USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 ASN : amide:sc= -2.49 K(o=-5,f=-13!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -2.54 X(o=-5,f=-5.2!) USER MOD Single : A 1 LYS N :NH3+ 141:sc= 0.0486 (180deg=-0.313) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.24) USER MOD Single : A 4 THR OG1 : rot 92:sc= 0.703 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 9 THR OG1 : rot 129:sc= 1 USER MOD Single : A 10 GLN : amide:sc= -0.589 K(o=-0.59,f=0) USER MOD Single : A 19 SER OG : rot -107:sc= 0.761 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 28 SER OG : rot 80:sc= 0.281 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -73:sc= 1.21! USER MOD Single : A 31 ASN : amide:sc= -5.31 K(o=-5.3,f=-2.5) USER MOD Single : A 34 SER OG : rot -50:sc= 0.47 USER MOD Single : A 35 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.097) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.18! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.209 -24.561 -6.481 1.00 0.00 N ATOM 2 CA LYS A 1 -2.515 -25.096 -5.995 1.00 0.00 C ATOM 3 C LYS A 1 -3.009 -24.276 -4.801 1.00 0.00 C ATOM 4 O LYS A 1 -2.347 -23.366 -4.347 1.00 0.00 O ATOM 5 CB LYS A 1 -2.222 -26.535 -5.573 1.00 0.00 C ATOM 6 CG LYS A 1 -1.316 -26.529 -4.341 1.00 0.00 C ATOM 7 CD LYS A 1 0.015 -27.203 -4.680 1.00 0.00 C ATOM 8 CE LYS A 1 -0.245 -28.629 -5.171 1.00 0.00 C ATOM 9 NZ LYS A 1 0.245 -29.508 -4.073 1.00 0.00 N ATOM 0 H1 LYS A 1 -0.589 -25.351 -6.752 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.370 -23.949 -7.306 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.756 -24.010 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.292 -25.046 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.153 -27.057 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.741 -27.074 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.143 -25.505 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.801 -27.053 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.538 -26.633 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.660 -27.222 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.305 -28.793 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.284 -28.829 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.101 -30.504 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.258 -29.335 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.282 -29.300 -3.201 1.00 0.00 H new ATOM 25 N CYS A 2 -4.165 -24.601 -4.288 1.00 0.00 N ATOM 26 CA CYS A 2 -4.717 -23.858 -3.126 1.00 0.00 C ATOM 27 C CYS A 2 -6.168 -24.278 -2.911 1.00 0.00 C ATOM 28 O CYS A 2 -7.020 -24.056 -3.749 1.00 0.00 O ATOM 29 CB CYS A 2 -4.643 -22.381 -3.495 1.00 0.00 C ATOM 30 SG CYS A 2 -5.286 -22.112 -5.161 1.00 0.00 S ATOM 0 H CYS A 2 -4.755 -25.359 -4.631 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.165 -24.059 -2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.215 -21.792 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.610 -22.037 -3.438 1.00 0.00 H new ATOM 35 N ASN A 3 -6.451 -24.907 -1.811 1.00 0.00 N ATOM 36 CA ASN A 3 -7.844 -25.373 -1.561 1.00 0.00 C ATOM 37 C ASN A 3 -8.612 -24.439 -0.616 1.00 0.00 C ATOM 38 O ASN A 3 -9.654 -24.820 -0.131 1.00 0.00 O ATOM 39 CB ASN A 3 -7.681 -26.752 -0.922 1.00 0.00 C ATOM 40 CG ASN A 3 -8.990 -27.531 -1.047 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.252 -28.144 -2.064 1.00 0.00 O ATOM 42 ND2 ASN A 3 -9.831 -27.535 -0.049 1.00 0.00 N ATOM 0 H ASN A 3 -5.781 -25.120 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.421 -25.393 -2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.873 -27.297 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.407 -26.648 0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.707 -28.052 -0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.612 -27.021 0.804 1.00 0.00 H new ATOM 49 N THR A 4 -8.124 -23.226 -0.383 1.00 0.00 N ATOM 50 CA THR A 4 -8.828 -22.228 0.508 1.00 0.00 C ATOM 51 C THR A 4 -7.831 -21.487 1.370 1.00 0.00 C ATOM 52 O THR A 4 -7.352 -20.447 1.001 1.00 0.00 O ATOM 53 CB THR A 4 -9.851 -22.969 1.392 1.00 0.00 C ATOM 54 OG1 THR A 4 -11.038 -23.199 0.646 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.195 -22.124 2.623 1.00 0.00 C ATOM 0 H THR A 4 -7.250 -22.883 -0.783 1.00 0.00 H new ATOM 0 HA THR A 4 -9.346 -21.498 -0.114 1.00 0.00 H new ATOM 0 HB THR A 4 -9.419 -23.917 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.988 -24.077 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.918 -22.657 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.290 -21.940 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.622 -21.173 2.304 1.00 0.00 H new ATOM 63 N ALA A 5 -7.496 -21.998 2.512 1.00 0.00 N ATOM 64 CA ALA A 5 -6.509 -21.271 3.351 1.00 0.00 C ATOM 65 C ALA A 5 -5.366 -20.776 2.460 1.00 0.00 C ATOM 66 O ALA A 5 -4.687 -19.819 2.772 1.00 0.00 O ATOM 67 CB ALA A 5 -6.002 -22.305 4.357 1.00 0.00 C ATOM 0 H ALA A 5 -7.853 -22.872 2.899 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.935 -20.403 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.266 -21.842 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.838 -22.675 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.540 -23.136 3.823 1.00 0.00 H new ATOM 73 N THR A 6 -5.178 -21.412 1.327 1.00 0.00 N ATOM 74 CA THR A 6 -4.093 -20.985 0.398 1.00 0.00 C ATOM 75 C THR A 6 -4.619 -19.989 -0.633 1.00 0.00 C ATOM 76 O THR A 6 -4.132 -18.883 -0.747 1.00 0.00 O ATOM 77 CB THR A 6 -3.632 -22.272 -0.284 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.894 -23.376 0.571 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.131 -22.187 -0.570 1.00 0.00 C ATOM 0 H THR A 6 -5.731 -22.208 1.009 1.00 0.00 H new ATOM 0 HA THR A 6 -3.281 -20.483 0.923 1.00 0.00 H new ATOM 0 HB THR A 6 -4.171 -22.404 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.601 -24.204 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.801 -23.105 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.933 -21.338 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.589 -22.058 0.367 1.00 0.00 H new ATOM 87 N CYS A 7 -5.609 -20.377 -1.388 1.00 0.00 N ATOM 88 CA CYS A 7 -6.168 -19.457 -2.418 1.00 0.00 C ATOM 89 C CYS A 7 -7.061 -18.449 -1.719 1.00 0.00 C ATOM 90 O CYS A 7 -7.093 -17.281 -2.051 1.00 0.00 O ATOM 91 CB CYS A 7 -6.985 -20.347 -3.365 1.00 0.00 C ATOM 92 SG CYS A 7 -6.236 -20.332 -5.018 1.00 0.00 S ATOM 0 H CYS A 7 -6.056 -21.293 -1.336 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.402 -18.910 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.021 -21.366 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.014 -19.990 -3.418 1.00 0.00 H new ATOM 97 N ALA A 8 -7.764 -18.901 -0.726 1.00 0.00 N ATOM 98 CA ALA A 8 -8.641 -17.994 0.041 1.00 0.00 C ATOM 99 C ALA A 8 -7.783 -16.921 0.715 1.00 0.00 C ATOM 100 O ALA A 8 -8.025 -15.741 0.566 1.00 0.00 O ATOM 101 CB ALA A 8 -9.333 -18.868 1.085 1.00 0.00 C ATOM 0 H ALA A 8 -7.766 -19.871 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.372 -17.488 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.000 -18.254 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.910 -19.645 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.583 -19.330 1.728 1.00 0.00 H new ATOM 107 N THR A 9 -6.763 -17.318 1.446 1.00 0.00 N ATOM 108 CA THR A 9 -5.896 -16.300 2.100 1.00 0.00 C ATOM 109 C THR A 9 -5.276 -15.401 1.028 1.00 0.00 C ATOM 110 O THR A 9 -4.936 -14.261 1.275 1.00 0.00 O ATOM 111 CB THR A 9 -4.814 -17.105 2.825 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.405 -17.831 3.894 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.749 -16.157 3.378 1.00 0.00 C ATOM 0 H THR A 9 -6.502 -18.290 1.612 1.00 0.00 H new ATOM 0 HA THR A 9 -6.443 -15.657 2.789 1.00 0.00 H new ATOM 0 HB THR A 9 -4.348 -17.799 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.137 -18.772 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.981 -16.734 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.296 -15.600 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.210 -15.460 4.078 1.00 0.00 H new ATOM 121 N GLN A 10 -5.126 -15.914 -0.165 1.00 0.00 N ATOM 122 CA GLN A 10 -4.534 -15.108 -1.259 1.00 0.00 C ATOM 123 C GLN A 10 -5.625 -14.347 -2.023 1.00 0.00 C ATOM 124 O GLN A 10 -5.355 -13.379 -2.707 1.00 0.00 O ATOM 125 CB GLN A 10 -3.850 -16.125 -2.176 1.00 0.00 C ATOM 126 CG GLN A 10 -2.499 -15.576 -2.635 1.00 0.00 C ATOM 127 CD GLN A 10 -1.403 -16.061 -1.684 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.370 -16.532 -2.118 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.586 -15.966 -0.396 1.00 0.00 N ATOM 0 H GLN A 10 -5.392 -16.864 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.837 -14.360 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.710 -17.069 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.482 -16.333 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.286 -15.907 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.524 -14.486 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.453 -15.571 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.862 -16.287 0.247 1.00 0.00 H new ATOM 138 N ARG A 11 -6.860 -14.751 -1.887 1.00 0.00 N ATOM 139 CA ARG A 11 -7.956 -14.023 -2.585 1.00 0.00 C ATOM 140 C ARG A 11 -8.451 -12.966 -1.628 1.00 0.00 C ATOM 141 O ARG A 11 -8.724 -11.837 -1.982 1.00 0.00 O ATOM 142 CB ARG A 11 -9.039 -15.065 -2.863 1.00 0.00 C ATOM 143 CG ARG A 11 -9.306 -15.136 -4.368 1.00 0.00 C ATOM 144 CD ARG A 11 -8.663 -16.402 -4.942 1.00 0.00 C ATOM 145 NE ARG A 11 -9.490 -17.524 -4.419 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.251 -18.209 -5.229 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.718 -19.065 -6.059 1.00 0.00 N ATOM 148 NH2 ARG A 11 -11.545 -18.038 -5.211 1.00 0.00 N ATOM 0 H ARG A 11 -7.155 -15.550 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.652 -13.547 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.723 -16.040 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.955 -14.804 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.379 -15.142 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.900 -14.253 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.663 -16.386 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.624 -16.496 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.462 -17.758 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.707 -19.199 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.313 -19.600 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.962 -17.369 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.139 -18.573 -5.844 1.00 0.00 H new ATOM 162 N LEU A 12 -8.517 -13.345 -0.393 1.00 0.00 N ATOM 163 CA LEU A 12 -8.933 -12.409 0.662 1.00 0.00 C ATOM 164 C LEU A 12 -7.930 -11.260 0.720 1.00 0.00 C ATOM 165 O LEU A 12 -8.290 -10.099 0.700 1.00 0.00 O ATOM 166 CB LEU A 12 -8.879 -13.263 1.919 1.00 0.00 C ATOM 167 CG LEU A 12 -10.251 -13.893 2.168 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.076 -15.247 2.856 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.081 -12.968 3.062 1.00 0.00 C ATOM 0 H LEU A 12 -8.295 -14.285 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.915 -11.961 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.124 -14.042 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.587 -12.653 2.774 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.763 -14.035 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.054 -15.694 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.486 -15.905 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.563 -15.108 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.059 -13.415 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.568 -12.825 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.208 -12.004 2.570 1.00 0.00 H new ATOM 181 N ALA A 13 -6.670 -11.583 0.760 1.00 0.00 N ATOM 182 CA ALA A 13 -5.629 -10.520 0.784 1.00 0.00 C ATOM 183 C ALA A 13 -5.678 -9.755 -0.539 1.00 0.00 C ATOM 184 O ALA A 13 -5.352 -8.587 -0.610 1.00 0.00 O ATOM 185 CB ALA A 13 -4.300 -11.262 0.940 1.00 0.00 C ATOM 0 H ALA A 13 -6.315 -12.539 0.777 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.770 -9.798 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.482 -10.542 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.309 -11.834 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.161 -11.940 0.098 1.00 0.00 H new ATOM 191 N ASN A 14 -6.111 -10.410 -1.585 1.00 0.00 N ATOM 192 CA ASN A 14 -6.217 -9.732 -2.903 1.00 0.00 C ATOM 193 C ASN A 14 -7.204 -8.580 -2.769 1.00 0.00 C ATOM 194 O ASN A 14 -6.941 -7.467 -3.180 1.00 0.00 O ATOM 195 CB ASN A 14 -6.756 -10.795 -3.862 1.00 0.00 C ATOM 196 CG ASN A 14 -6.426 -10.402 -5.304 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.112 -9.261 -5.578 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.486 -11.306 -6.243 1.00 0.00 N ATOM 0 H ASN A 14 -6.396 -11.389 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.269 -9.329 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.317 -11.765 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.834 -10.896 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.269 -11.055 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.750 -12.264 -6.013 1.00 0.00 H new ATOM 205 N PHE A 15 -8.331 -8.833 -2.160 1.00 0.00 N ATOM 206 CA PHE A 15 -9.314 -7.737 -1.964 1.00 0.00 C ATOM 207 C PHE A 15 -8.665 -6.682 -1.078 1.00 0.00 C ATOM 208 O PHE A 15 -9.048 -5.532 -1.070 1.00 0.00 O ATOM 209 CB PHE A 15 -10.516 -8.372 -1.257 1.00 0.00 C ATOM 210 CG PHE A 15 -10.823 -9.711 -1.880 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.796 -9.857 -3.270 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.127 -10.807 -1.065 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.071 -11.101 -3.848 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.404 -12.052 -1.642 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.376 -12.199 -3.034 1.00 0.00 C ATOM 0 H PHE A 15 -8.609 -9.743 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.625 -7.267 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.303 -8.494 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.384 -7.717 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.563 -9.010 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.148 -10.692 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.048 -11.215 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.639 -12.898 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.590 -13.159 -3.480 1.00 0.00 H new ATOM 225 N LEU A 16 -7.662 -7.073 -0.338 1.00 0.00 N ATOM 226 CA LEU A 16 -6.968 -6.093 0.543 1.00 0.00 C ATOM 227 C LEU A 16 -6.262 -5.041 -0.312 1.00 0.00 C ATOM 228 O LEU A 16 -6.462 -3.853 -0.147 1.00 0.00 O ATOM 229 CB LEU A 16 -5.950 -6.917 1.331 1.00 0.00 C ATOM 230 CG LEU A 16 -5.989 -6.503 2.803 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.887 -4.980 2.911 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.304 -6.970 3.429 1.00 0.00 C ATOM 0 H LEU A 16 -7.295 -8.024 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.656 -5.564 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.174 -7.979 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.950 -6.764 0.925 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.151 -6.961 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.915 -4.687 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.950 -4.646 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.723 -4.521 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.332 -6.675 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.141 -6.513 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.377 -8.055 3.355 1.00 0.00 H new ATOM 244 N VAL A 17 -5.440 -5.467 -1.233 1.00 0.00 N ATOM 245 CA VAL A 17 -4.727 -4.489 -2.104 1.00 0.00 C ATOM 246 C VAL A 17 -5.657 -4.013 -3.223 1.00 0.00 C ATOM 247 O VAL A 17 -5.485 -2.945 -3.775 1.00 0.00 O ATOM 248 CB VAL A 17 -3.541 -5.258 -2.683 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.952 -4.475 -3.858 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.472 -5.436 -1.603 1.00 0.00 C ATOM 0 H VAL A 17 -5.232 -6.448 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.404 -3.604 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.875 -6.236 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.105 -5.023 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.713 -4.347 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.617 -3.497 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.626 -5.985 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.137 -4.458 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.891 -5.992 -0.765 1.00 0.00 H new ATOM 260 N HIS A 18 -6.644 -4.799 -3.559 1.00 0.00 N ATOM 261 CA HIS A 18 -7.588 -4.390 -4.637 1.00 0.00 C ATOM 262 C HIS A 18 -8.702 -3.517 -4.053 1.00 0.00 C ATOM 263 O HIS A 18 -8.850 -2.364 -4.410 1.00 0.00 O ATOM 264 CB HIS A 18 -8.161 -5.698 -5.181 1.00 0.00 C ATOM 265 CG HIS A 18 -7.139 -6.374 -6.054 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.492 -7.044 -7.232 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.772 -6.498 -5.944 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.359 -7.535 -7.777 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.314 -7.224 -7.025 1.00 0.00 N ATOM 0 H HIS A 18 -6.837 -5.706 -3.134 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.099 -3.806 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.441 -6.354 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.068 -5.499 -5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.163 -6.096 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.311 -8.101 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.343 -7.476 -7.211 1.00 0.00 H new ATOM 277 N SER A 19 -9.485 -4.053 -3.156 1.00 0.00 N ATOM 278 CA SER A 19 -10.584 -3.243 -2.552 1.00 0.00 C ATOM 279 C SER A 19 -10.024 -1.920 -2.031 1.00 0.00 C ATOM 280 O SER A 19 -10.643 -0.882 -2.149 1.00 0.00 O ATOM 281 CB SER A 19 -11.121 -4.089 -1.399 1.00 0.00 C ATOM 282 OG SER A 19 -10.379 -3.802 -0.221 1.00 0.00 O ATOM 0 H SER A 19 -9.413 -5.012 -2.816 1.00 0.00 H new ATOM 0 HA SER A 19 -11.366 -3.003 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.178 -3.876 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.043 -5.148 -1.643 1.00 0.00 H new ATOM 0 HG SER A 19 -9.788 -4.556 -0.015 1.00 0.00 H new ATOM 288 N SER A 20 -8.851 -1.950 -1.464 1.00 0.00 N ATOM 289 CA SER A 20 -8.245 -0.694 -0.944 1.00 0.00 C ATOM 290 C SER A 20 -7.959 0.257 -2.103 1.00 0.00 C ATOM 291 O SER A 20 -8.249 1.433 -2.042 1.00 0.00 O ATOM 292 CB SER A 20 -6.944 -1.128 -0.270 1.00 0.00 C ATOM 293 OG SER A 20 -6.273 0.019 0.236 1.00 0.00 O ATOM 0 H SER A 20 -8.286 -2.790 -1.338 1.00 0.00 H new ATOM 0 HA SER A 20 -8.902 -0.169 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.156 -1.827 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.308 -1.651 -0.984 1.00 0.00 H new ATOM 0 HG SER A 20 -5.439 -0.255 0.671 1.00 0.00 H new ATOM 299 N ASN A 21 -7.395 -0.247 -3.161 1.00 0.00 N ATOM 300 CA ASN A 21 -7.093 0.624 -4.332 1.00 0.00 C ATOM 301 C ASN A 21 -8.280 0.632 -5.301 1.00 0.00 C ATOM 302 O ASN A 21 -8.201 1.167 -6.388 1.00 0.00 O ATOM 303 CB ASN A 21 -5.865 -0.008 -4.989 1.00 0.00 C ATOM 304 CG ASN A 21 -4.989 1.090 -5.594 1.00 0.00 C ATOM 305 OD1 ASN A 21 -3.777 1.021 -5.532 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.554 2.110 -6.181 1.00 0.00 N ATOM 0 H ASN A 21 -7.129 -1.226 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.911 1.659 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.297 -0.576 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.174 -0.710 -5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.979 2.848 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.571 2.169 -6.234 1.00 0.00 H new ATOM 313 N ASN A 22 -9.377 0.040 -4.915 1.00 0.00 N ATOM 314 CA ASN A 22 -10.566 0.012 -5.814 1.00 0.00 C ATOM 315 C ASN A 22 -11.143 1.420 -5.975 1.00 0.00 C ATOM 316 O ASN A 22 -11.203 1.958 -7.064 1.00 0.00 O ATOM 317 CB ASN A 22 -11.574 -0.903 -5.117 1.00 0.00 C ATOM 318 CG ASN A 22 -12.950 -0.733 -5.763 1.00 0.00 C ATOM 319 OD1 ASN A 22 -13.252 -1.369 -6.754 1.00 0.00 O ATOM 320 ND2 ASN A 22 -13.804 0.104 -5.241 1.00 0.00 N ATOM 0 H ASN A 22 -9.502 -0.426 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.316 -0.345 -6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.251 -1.941 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.627 -0.662 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.724 0.224 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.551 0.638 -4.409 1.00 0.00 H new ATOM 327 N PHE A 23 -11.565 2.020 -4.900 1.00 0.00 N ATOM 328 CA PHE A 23 -12.135 3.392 -4.996 1.00 0.00 C ATOM 329 C PHE A 23 -11.148 4.308 -5.717 1.00 0.00 C ATOM 330 O PHE A 23 -11.520 5.303 -6.307 1.00 0.00 O ATOM 331 CB PHE A 23 -12.353 3.846 -3.547 1.00 0.00 C ATOM 332 CG PHE A 23 -11.029 4.159 -2.884 1.00 0.00 C ATOM 333 CD1 PHE A 23 -10.300 5.295 -3.259 1.00 0.00 C ATOM 334 CD2 PHE A 23 -10.536 3.316 -1.881 1.00 0.00 C ATOM 335 CE1 PHE A 23 -9.080 5.584 -2.635 1.00 0.00 C ATOM 336 CE2 PHE A 23 -9.319 3.607 -1.255 1.00 0.00 C ATOM 337 CZ PHE A 23 -8.591 4.741 -1.633 1.00 0.00 C ATOM 0 H PHE A 23 -11.541 1.622 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.067 3.419 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.993 4.728 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.870 3.065 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.679 5.949 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.096 2.440 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.517 6.458 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.941 2.956 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.651 4.965 -1.150 1.00 0.00 H new ATOM 347 N GLY A 24 -9.890 3.970 -5.682 1.00 0.00 N ATOM 348 CA GLY A 24 -8.872 4.810 -6.373 1.00 0.00 C ATOM 349 C GLY A 24 -8.996 4.603 -7.882 1.00 0.00 C ATOM 350 O GLY A 24 -8.838 5.522 -8.661 1.00 0.00 O ATOM 0 H GLY A 24 -9.522 3.147 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.019 5.861 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.871 4.540 -6.037 1.00 0.00 H new ATOM 354 N ALA A 25 -9.283 3.401 -8.300 1.00 0.00 N ATOM 355 CA ALA A 25 -9.424 3.129 -9.757 1.00 0.00 C ATOM 356 C ALA A 25 -10.685 3.813 -10.292 1.00 0.00 C ATOM 357 O ALA A 25 -10.843 4.004 -11.482 1.00 0.00 O ATOM 358 CB ALA A 25 -9.545 1.609 -9.866 1.00 0.00 C ATOM 0 H ALA A 25 -9.426 2.594 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.583 3.509 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.653 1.327 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.650 1.142 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.419 1.273 -9.308 1.00 0.00 H new ATOM 364 N ILE A 26 -11.575 4.198 -9.419 1.00 0.00 N ATOM 365 CA ILE A 26 -12.815 4.891 -9.869 1.00 0.00 C ATOM 366 C ILE A 26 -12.543 6.381 -9.843 1.00 0.00 C ATOM 367 O ILE A 26 -12.732 7.088 -10.812 1.00 0.00 O ATOM 368 CB ILE A 26 -13.885 4.490 -8.852 1.00 0.00 C ATOM 369 CG1 ILE A 26 -13.721 3.004 -8.494 1.00 0.00 C ATOM 370 CG2 ILE A 26 -15.273 4.719 -9.451 1.00 0.00 C ATOM 371 CD1 ILE A 26 -13.303 2.212 -9.740 1.00 0.00 C ATOM 0 H ILE A 26 -11.497 4.062 -8.411 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.135 4.628 -10.877 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.774 5.096 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.971 2.890 -7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.657 2.610 -8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.034 4.433 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.391 5.773 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.385 4.115 -10.351 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.188 1.160 -9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.068 2.315 -10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.356 2.598 -10.116 1.00 0.00 H new ATOM 383 N LEU A 27 -12.033 6.843 -8.742 1.00 0.00 N ATOM 384 CA LEU A 27 -11.665 8.268 -8.639 1.00 0.00 C ATOM 385 C LEU A 27 -10.804 8.609 -9.855 1.00 0.00 C ATOM 386 O LEU A 27 -10.732 9.739 -10.297 1.00 0.00 O ATOM 387 CB LEU A 27 -10.853 8.327 -7.347 1.00 0.00 C ATOM 388 CG LEU A 27 -11.770 8.635 -6.156 1.00 0.00 C ATOM 389 CD1 LEU A 27 -13.098 7.883 -6.300 1.00 0.00 C ATOM 390 CD2 LEU A 27 -11.081 8.195 -4.862 1.00 0.00 C ATOM 0 H LEU A 27 -11.856 6.288 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.502 8.965 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.343 7.377 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.082 9.093 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.969 9.706 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.739 8.110 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.594 8.193 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.907 6.810 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.729 8.412 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.882 7.124 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.141 8.735 -4.748 1.00 0.00 H new ATOM 402 N SER A 28 -10.164 7.609 -10.401 1.00 0.00 N ATOM 403 CA SER A 28 -9.310 7.806 -11.602 1.00 0.00 C ATOM 404 C SER A 28 -10.130 8.441 -12.726 1.00 0.00 C ATOM 405 O SER A 28 -9.598 9.069 -13.621 1.00 0.00 O ATOM 406 CB SER A 28 -8.876 6.391 -11.990 1.00 0.00 C ATOM 407 OG SER A 28 -7.623 6.100 -11.383 1.00 0.00 O ATOM 0 H SER A 28 -10.200 6.649 -10.057 1.00 0.00 H new ATOM 0 HA SER A 28 -8.462 8.465 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.625 5.668 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.796 6.307 -13.074 1.00 0.00 H new ATOM 0 HG SER A 28 -7.763 5.856 -10.444 1.00 0.00 H new ATOM 413 N SER A 29 -11.423 8.279 -12.685 1.00 0.00 N ATOM 414 CA SER A 29 -12.287 8.868 -13.747 1.00 0.00 C ATOM 415 C SER A 29 -12.709 10.284 -13.352 1.00 0.00 C ATOM 416 O SER A 29 -13.655 10.833 -13.883 1.00 0.00 O ATOM 417 CB SER A 29 -13.505 7.946 -13.819 1.00 0.00 C ATOM 418 OG SER A 29 -13.898 7.789 -15.176 1.00 0.00 O ATOM 0 H SER A 29 -11.921 7.763 -11.960 1.00 0.00 H new ATOM 0 HA SER A 29 -11.775 8.943 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.267 6.976 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.326 8.364 -13.237 1.00 0.00 H new ATOM 0 HG SER A 29 -14.678 7.197 -15.224 1.00 0.00 H new ATOM 424 N THR A 30 -12.017 10.879 -12.419 1.00 0.00 N ATOM 425 CA THR A 30 -12.379 12.259 -11.987 1.00 0.00 C ATOM 426 C THR A 30 -11.119 13.111 -11.817 1.00 0.00 C ATOM 427 O THR A 30 -10.811 13.949 -12.639 1.00 0.00 O ATOM 428 CB THR A 30 -13.103 12.075 -10.651 1.00 0.00 C ATOM 429 OG1 THR A 30 -12.165 11.733 -9.642 1.00 0.00 O ATOM 430 CG2 THR A 30 -14.136 10.956 -10.784 1.00 0.00 C ATOM 0 H THR A 30 -11.217 10.469 -11.937 1.00 0.00 H new ATOM 0 HA THR A 30 -13.003 12.774 -12.717 1.00 0.00 H new ATOM 0 HB THR A 30 -13.603 13.005 -10.379 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.867 10.809 -9.772 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.653 10.823 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.859 11.218 -11.557 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.634 10.028 -11.057 1.00 0.00 H new ATOM 438 N ASN A 31 -10.385 12.900 -10.761 1.00 0.00 N ATOM 439 CA ASN A 31 -9.143 13.696 -10.549 1.00 0.00 C ATOM 440 C ASN A 31 -8.250 13.587 -11.788 1.00 0.00 C ATOM 441 O ASN A 31 -7.380 14.404 -12.016 1.00 0.00 O ATOM 442 CB ASN A 31 -8.469 13.070 -9.322 1.00 0.00 C ATOM 443 CG ASN A 31 -7.718 11.796 -9.725 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.564 11.623 -9.383 1.00 0.00 O ATOM 445 ND2 ASN A 31 -8.326 10.889 -10.441 1.00 0.00 N ATOM 0 H ASN A 31 -10.590 12.212 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.341 14.756 -10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.777 13.783 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.218 12.836 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.833 10.038 -10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.294 11.031 -10.729 1.00 0.00 H new ATOM 452 N VAL A 32 -8.468 12.581 -12.589 1.00 0.00 N ATOM 453 CA VAL A 32 -7.645 12.408 -13.820 1.00 0.00 C ATOM 454 C VAL A 32 -8.528 12.560 -15.061 1.00 0.00 C ATOM 455 O VAL A 32 -8.084 13.008 -16.099 1.00 0.00 O ATOM 456 CB VAL A 32 -7.092 10.986 -13.728 1.00 0.00 C ATOM 457 CG1 VAL A 32 -6.567 10.552 -15.097 1.00 0.00 C ATOM 458 CG2 VAL A 32 -5.951 10.949 -12.709 1.00 0.00 C ATOM 0 H VAL A 32 -9.183 11.868 -12.444 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.850 13.149 -13.898 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.885 10.308 -13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.173 9.538 -15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.379 10.579 -15.823 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.774 11.229 -15.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.556 9.935 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.159 11.628 -13.025 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.325 11.258 -11.733 1.00 0.00 H new ATOM 468 N GLY A 33 -9.774 12.188 -14.960 1.00 0.00 N ATOM 469 CA GLY A 33 -10.687 12.308 -16.132 1.00 0.00 C ATOM 470 C GLY A 33 -11.405 13.659 -16.088 1.00 0.00 C ATOM 471 O GLY A 33 -12.298 13.923 -16.866 1.00 0.00 O ATOM 0 H GLY A 33 -10.200 11.806 -14.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.120 12.216 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.415 11.497 -16.123 1.00 0.00 H new ATOM 475 N SER A 34 -11.019 14.518 -15.183 1.00 0.00 N ATOM 476 CA SER A 34 -11.680 15.852 -15.092 1.00 0.00 C ATOM 477 C SER A 34 -10.687 16.957 -15.460 1.00 0.00 C ATOM 478 O SER A 34 -10.659 18.007 -14.850 1.00 0.00 O ATOM 479 CB SER A 34 -12.111 15.982 -13.631 1.00 0.00 C ATOM 480 OG SER A 34 -12.879 17.168 -13.472 1.00 0.00 O ATOM 0 H SER A 34 -10.276 14.354 -14.504 1.00 0.00 H new ATOM 0 HA SER A 34 -12.525 15.943 -15.774 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.698 15.113 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.235 16.012 -12.983 1.00 0.00 H new ATOM 0 HG SER A 34 -12.400 17.924 -13.872 1.00 0.00 H new ATOM 486 N ASN A 35 -9.871 16.728 -16.452 1.00 0.00 N ATOM 487 CA ASN A 35 -8.880 17.764 -16.857 1.00 0.00 C ATOM 488 C ASN A 35 -9.559 18.858 -17.685 1.00 0.00 C ATOM 489 O ASN A 35 -10.541 18.621 -18.359 1.00 0.00 O ATOM 490 CB ASN A 35 -7.850 17.014 -17.703 1.00 0.00 C ATOM 491 CG ASN A 35 -6.452 17.241 -17.127 1.00 0.00 C ATOM 492 OD1 ASN A 35 -5.622 16.354 -17.145 1.00 0.00 O ATOM 493 ND2 ASN A 35 -6.154 18.402 -16.611 1.00 0.00 N ATOM 0 H ASN A 35 -9.848 15.868 -17.000 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.425 18.256 -15.998 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.081 15.949 -17.716 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.890 17.361 -18.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.225 18.564 -16.223 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.850 19.147 -16.596 1.00 0.00 H new ATOM 500 N THR A 36 -9.040 20.055 -17.640 1.00 0.00 N ATOM 501 CA THR A 36 -9.652 21.169 -18.424 1.00 0.00 C ATOM 502 C THR A 36 -11.159 21.235 -18.166 1.00 0.00 C ATOM 503 O THR A 36 -11.929 20.477 -18.722 1.00 0.00 O ATOM 504 CB THR A 36 -9.373 20.835 -19.893 1.00 0.00 C ATOM 505 OG1 THR A 36 -8.673 19.602 -19.980 1.00 0.00 O ATOM 506 CG2 THR A 36 -8.527 21.946 -20.518 1.00 0.00 C ATOM 0 H THR A 36 -8.218 20.311 -17.094 1.00 0.00 H new ATOM 0 HA THR A 36 -9.239 22.138 -18.145 1.00 0.00 H new ATOM 0 HB THR A 36 -10.319 20.752 -20.429 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.498 19.391 -20.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.329 21.708 -21.563 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.066 22.892 -20.457 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.583 22.031 -19.980 1.00 0.00 H new ATOM 514 N TYR A 37 -11.585 22.139 -17.328 1.00 0.00 N ATOM 515 CA TYR A 37 -13.043 22.257 -17.034 1.00 0.00 C ATOM 516 C TYR A 37 -13.815 22.589 -18.315 1.00 0.00 C ATOM 517 O TYR A 37 -13.282 22.343 -19.384 1.00 0.00 O ATOM 518 CB TYR A 37 -13.157 23.404 -16.028 1.00 0.00 C ATOM 519 CG TYR A 37 -12.313 24.568 -16.488 1.00 0.00 C ATOM 520 CD1 TYR A 37 -12.642 25.252 -17.665 1.00 0.00 C ATOM 521 CD2 TYR A 37 -11.198 24.962 -15.738 1.00 0.00 C ATOM 522 CE1 TYR A 37 -11.857 26.329 -18.091 1.00 0.00 C ATOM 523 CE2 TYR A 37 -10.413 26.039 -16.164 1.00 0.00 C ATOM 524 CZ TYR A 37 -10.742 26.723 -17.341 1.00 0.00 C ATOM 525 OH TYR A 37 -9.967 27.784 -17.762 1.00 0.00 O ATOM 526 OXT TYR A 37 -14.925 23.082 -18.202 1.00 0.00 O ATOM 0 H TYR A 37 -10.988 22.802 -16.834 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.460 21.330 -16.641 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.198 23.713 -15.930 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.829 23.071 -15.043 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.502 24.948 -18.244 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.944 24.434 -14.831 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.111 26.857 -18.998 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.553 26.343 -15.585 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.234 27.926 -17.127 1.00 0.00 H new TER 536 TYR A 37