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 35 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.55) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 1 LYS N :NH3+ 141:sc= 0.0622 (180deg=-0.747) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.85 K(o=-0.85,f=-0.0018) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.23! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.561 USER MOD Single : A 10 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.025) USER MOD Single : A 14 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.8!) USER MOD Single : A 18 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.49) USER MOD Single : A 19 SER OG : rot -87:sc= 0.79 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.2! C(o=-2.2!,f=-7.2!) USER MOD Single : A 28 SER OG : rot 60:sc= 0.831 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -3.93! K(o=-3.9!,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.780 -16.629 -0.020 1.00 0.00 N ATOM 2 CA LYS A 1 -13.200 -18.059 -0.078 1.00 0.00 C ATOM 3 C LYS A 1 -12.492 -18.768 -1.235 1.00 0.00 C ATOM 4 O LYS A 1 -12.044 -18.143 -2.176 1.00 0.00 O ATOM 5 CB LYS A 1 -14.709 -18.019 -0.315 1.00 0.00 C ATOM 6 CG LYS A 1 -14.998 -17.301 -1.634 1.00 0.00 C ATOM 7 CD LYS A 1 -16.432 -17.598 -2.078 1.00 0.00 C ATOM 8 CE LYS A 1 -16.421 -18.154 -3.502 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.386 -19.289 -3.479 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.600 -16.036 0.219 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.045 -16.512 0.706 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.402 -16.341 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.946 -18.603 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.110 -19.032 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.204 -17.504 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.860 -16.227 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.295 -17.629 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.893 -18.316 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.032 -16.689 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.721 -17.395 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.424 -18.489 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.434 -19.723 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.071 -19.999 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.328 -18.939 -3.211 1.00 0.00 H new ATOM 25 N CYS A 2 -12.387 -20.068 -1.173 1.00 0.00 N ATOM 26 CA CYS A 2 -11.706 -20.815 -2.270 1.00 0.00 C ATOM 27 C CYS A 2 -11.721 -22.320 -1.976 1.00 0.00 C ATOM 28 O CYS A 2 -12.483 -23.067 -2.555 1.00 0.00 O ATOM 29 CB CYS A 2 -10.270 -20.281 -2.278 1.00 0.00 C ATOM 30 SG CYS A 2 -9.328 -21.080 -3.601 1.00 0.00 S ATOM 0 H CYS A 2 -12.743 -20.645 -0.411 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.198 -20.677 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.275 -19.201 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.796 -20.471 -1.315 1.00 0.00 H new ATOM 35 N ASN A 3 -10.881 -22.764 -1.078 1.00 0.00 N ATOM 36 CA ASN A 3 -10.830 -24.216 -0.734 1.00 0.00 C ATOM 37 C ASN A 3 -9.713 -24.442 0.281 1.00 0.00 C ATOM 38 O ASN A 3 -9.798 -25.284 1.153 1.00 0.00 O ATOM 39 CB ASN A 3 -10.503 -24.932 -2.046 1.00 0.00 C ATOM 40 CG ASN A 3 -10.423 -26.439 -1.796 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.645 -27.129 -2.425 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.200 -26.982 -0.899 1.00 0.00 N ATOM 0 H ASN A 3 -10.223 -22.178 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.762 -24.580 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.268 -24.716 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.557 -24.568 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.155 -27.986 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.853 -26.402 -0.371 1.00 0.00 H new ATOM 49 N THR A 4 -8.668 -23.676 0.164 1.00 0.00 N ATOM 50 CA THR A 4 -7.522 -23.797 1.101 1.00 0.00 C ATOM 51 C THR A 4 -7.132 -22.410 1.589 1.00 0.00 C ATOM 52 O THR A 4 -6.829 -21.532 0.806 1.00 0.00 O ATOM 53 CB THR A 4 -6.400 -24.427 0.272 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.312 -23.768 -0.982 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.698 -25.914 0.050 1.00 0.00 C ATOM 0 H THR A 4 -8.558 -22.959 -0.554 1.00 0.00 H new ATOM 0 HA THR A 4 -7.747 -24.398 1.982 1.00 0.00 H new ATOM 0 HB THR A 4 -5.454 -24.324 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.593 -24.170 -1.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.898 -26.361 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.764 -26.420 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.644 -26.020 -0.481 1.00 0.00 H new ATOM 63 N ALA A 5 -7.139 -22.206 2.880 1.00 0.00 N ATOM 64 CA ALA A 5 -6.762 -20.872 3.430 1.00 0.00 C ATOM 65 C ALA A 5 -5.581 -20.308 2.640 1.00 0.00 C ATOM 66 O ALA A 5 -5.397 -19.112 2.544 1.00 0.00 O ATOM 67 CB ALA A 5 -6.359 -21.133 4.884 1.00 0.00 C ATOM 0 H ALA A 5 -7.390 -22.907 3.577 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.575 -20.149 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.068 -20.194 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.202 -21.564 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.519 -21.827 4.910 1.00 0.00 H new ATOM 73 N THR A 6 -4.792 -21.169 2.054 1.00 0.00 N ATOM 74 CA THR A 6 -3.636 -20.688 1.248 1.00 0.00 C ATOM 75 C THR A 6 -4.162 -19.903 0.044 1.00 0.00 C ATOM 76 O THR A 6 -3.661 -18.849 -0.292 1.00 0.00 O ATOM 77 CB THR A 6 -2.903 -21.958 0.804 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.603 -21.616 0.346 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.679 -22.642 -0.325 1.00 0.00 C ATOM 0 H THR A 6 -4.899 -22.182 2.099 1.00 0.00 H new ATOM 0 HA THR A 6 -2.971 -20.026 1.803 1.00 0.00 H new ATOM 0 HB THR A 6 -2.826 -22.642 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.132 -22.427 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.151 -23.544 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.676 -22.908 0.028 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.763 -21.962 -1.173 1.00 0.00 H new ATOM 87 N CYS A 7 -5.191 -20.402 -0.586 1.00 0.00 N ATOM 88 CA CYS A 7 -5.781 -19.682 -1.747 1.00 0.00 C ATOM 89 C CYS A 7 -6.759 -18.633 -1.229 1.00 0.00 C ATOM 90 O CYS A 7 -6.780 -17.507 -1.683 1.00 0.00 O ATOM 91 CB CYS A 7 -6.511 -20.756 -2.554 1.00 0.00 C ATOM 92 SG CYS A 7 -7.639 -19.978 -3.735 1.00 0.00 S ATOM 0 H CYS A 7 -5.649 -21.281 -0.344 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.037 -19.169 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.790 -21.379 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.067 -21.411 -1.884 1.00 0.00 H new ATOM 97 N ALA A 8 -7.556 -18.992 -0.260 1.00 0.00 N ATOM 98 CA ALA A 8 -8.513 -18.007 0.311 1.00 0.00 C ATOM 99 C ALA A 8 -7.725 -16.843 0.894 1.00 0.00 C ATOM 100 O ALA A 8 -7.949 -15.706 0.549 1.00 0.00 O ATOM 101 CB ALA A 8 -9.271 -18.756 1.407 1.00 0.00 C ATOM 0 H ALA A 8 -7.585 -19.922 0.159 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.203 -17.605 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.995 -18.087 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.792 -19.609 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.567 -19.108 2.161 1.00 0.00 H new ATOM 107 N THR A 9 -6.782 -17.111 1.754 1.00 0.00 N ATOM 108 CA THR A 9 -5.978 -15.991 2.310 1.00 0.00 C ATOM 109 C THR A 9 -5.370 -15.217 1.143 1.00 0.00 C ATOM 110 O THR A 9 -5.300 -14.004 1.154 1.00 0.00 O ATOM 111 CB THR A 9 -4.887 -16.645 3.160 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.490 -17.440 4.170 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.029 -15.558 3.808 1.00 0.00 C ATOM 0 H THR A 9 -6.537 -18.042 2.091 1.00 0.00 H new ATOM 0 HA THR A 9 -6.566 -15.297 2.910 1.00 0.00 H new ATOM 0 HB THR A 9 -4.259 -17.275 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.754 -18.305 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 -16.022 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.568 -14.947 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.655 -14.929 4.441 1.00 0.00 H new ATOM 121 N GLN A 10 -4.947 -15.917 0.121 1.00 0.00 N ATOM 122 CA GLN A 10 -4.366 -15.231 -1.061 1.00 0.00 C ATOM 123 C GLN A 10 -5.478 -14.506 -1.826 1.00 0.00 C ATOM 124 O GLN A 10 -5.245 -13.556 -2.551 1.00 0.00 O ATOM 125 CB GLN A 10 -3.768 -16.348 -1.917 1.00 0.00 C ATOM 126 CG GLN A 10 -2.266 -16.451 -1.648 1.00 0.00 C ATOM 127 CD GLN A 10 -1.694 -17.701 -2.330 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.536 -18.021 -2.154 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.457 -18.428 -3.105 1.00 0.00 N ATOM 0 H GLN A 10 -4.981 -16.935 0.059 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.616 -14.488 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.255 -17.296 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.946 -16.146 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.760 -15.560 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.083 -16.497 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.430 -18.163 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.079 -19.260 -3.558 1.00 0.00 H new ATOM 138 N ARG A 11 -6.698 -14.924 -1.628 1.00 0.00 N ATOM 139 CA ARG A 11 -7.839 -14.253 -2.303 1.00 0.00 C ATOM 140 C ARG A 11 -8.242 -13.107 -1.405 1.00 0.00 C ATOM 141 O ARG A 11 -8.458 -11.988 -1.825 1.00 0.00 O ATOM 142 CB ARG A 11 -8.935 -15.319 -2.372 1.00 0.00 C ATOM 143 CG ARG A 11 -8.662 -16.261 -3.545 1.00 0.00 C ATOM 144 CD ARG A 11 -9.293 -15.690 -4.817 1.00 0.00 C ATOM 145 NE ARG A 11 -8.628 -16.418 -5.933 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.256 -16.589 -7.065 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.513 -16.940 -7.067 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.626 -16.410 -8.194 1.00 0.00 N ATOM 0 H ARG A 11 -6.952 -15.706 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.626 -13.866 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.967 -15.883 -1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.910 -14.846 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.588 -16.385 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.072 -17.249 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.371 -15.848 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.128 -14.615 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.683 -16.783 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.005 -17.081 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.004 -17.074 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.643 -16.137 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.116 -16.544 -9.078 1.00 0.00 H new ATOM 162 N LEU A 12 -8.276 -13.399 -0.147 1.00 0.00 N ATOM 163 CA LEU A 12 -8.586 -12.376 0.866 1.00 0.00 C ATOM 164 C LEU A 12 -7.579 -11.238 0.739 1.00 0.00 C ATOM 165 O LEU A 12 -7.915 -10.075 0.837 1.00 0.00 O ATOM 166 CB LEU A 12 -8.406 -13.134 2.176 1.00 0.00 C ATOM 167 CG LEU A 12 -9.746 -13.716 2.640 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.589 -12.612 3.281 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.502 -14.303 1.445 1.00 0.00 C ATOM 0 H LEU A 12 -8.097 -14.330 0.230 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.576 -11.930 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.679 -13.936 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.008 -12.466 2.939 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.559 -14.504 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.542 -13.027 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.057 -12.199 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.770 -11.822 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.453 -14.715 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.686 -13.519 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.906 -15.094 0.990 1.00 0.00 H new ATOM 181 N ALA A 13 -6.343 -11.574 0.495 1.00 0.00 N ATOM 182 CA ALA A 13 -5.304 -10.523 0.328 1.00 0.00 C ATOM 183 C ALA A 13 -5.590 -9.753 -0.962 1.00 0.00 C ATOM 184 O ALA A 13 -5.275 -8.586 -1.090 1.00 0.00 O ATOM 185 CB ALA A 13 -3.979 -11.280 0.228 1.00 0.00 C ATOM 0 H ALA A 13 -6.008 -12.533 0.404 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.284 -9.805 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.162 -10.569 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.821 -11.858 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.008 -11.953 -0.629 1.00 0.00 H new ATOM 191 N ASN A 14 -6.206 -10.404 -1.911 1.00 0.00 N ATOM 192 CA ASN A 14 -6.543 -9.723 -3.192 1.00 0.00 C ATOM 193 C ASN A 14 -7.471 -8.546 -2.902 1.00 0.00 C ATOM 194 O ASN A 14 -7.302 -7.464 -3.426 1.00 0.00 O ATOM 195 CB ASN A 14 -7.266 -10.778 -4.033 1.00 0.00 C ATOM 196 CG ASN A 14 -7.058 -10.473 -5.518 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.124 -9.788 -5.885 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.895 -10.957 -6.396 1.00 0.00 N ATOM 0 H ASN A 14 -6.491 -11.382 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.664 -9.336 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.884 -11.771 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.330 -10.781 -3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.764 -10.760 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.680 -11.532 -6.090 1.00 0.00 H new ATOM 205 N PHE A 15 -8.441 -8.748 -2.051 1.00 0.00 N ATOM 206 CA PHE A 15 -9.367 -7.636 -1.709 1.00 0.00 C ATOM 207 C PHE A 15 -8.643 -6.683 -0.765 1.00 0.00 C ATOM 208 O PHE A 15 -9.030 -5.544 -0.592 1.00 0.00 O ATOM 209 CB PHE A 15 -10.569 -8.280 -1.002 1.00 0.00 C ATOM 210 CG PHE A 15 -10.865 -9.633 -1.601 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.809 -9.812 -2.988 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.185 -10.711 -0.769 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.073 -11.070 -3.542 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.448 -11.968 -1.321 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.393 -12.148 -2.708 1.00 0.00 C ATOM 0 H PHE A 15 -8.630 -9.633 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.692 -7.077 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.361 -8.384 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.443 -7.635 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.562 -8.980 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.229 -10.572 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.030 -11.209 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.694 -12.800 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.597 -13.119 -3.135 1.00 0.00 H new ATOM 225 N LEU A 16 -7.579 -7.141 -0.158 1.00 0.00 N ATOM 226 CA LEU A 16 -6.819 -6.253 0.763 1.00 0.00 C ATOM 227 C LEU A 16 -6.173 -5.133 -0.048 1.00 0.00 C ATOM 228 O LEU A 16 -6.127 -3.995 0.367 1.00 0.00 O ATOM 229 CB LEU A 16 -5.754 -7.145 1.400 1.00 0.00 C ATOM 230 CG LEU A 16 -6.077 -7.351 2.880 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.150 -5.994 3.585 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.424 -8.064 3.007 1.00 0.00 C ATOM 0 H LEU A 16 -7.208 -8.085 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.450 -5.791 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.717 -8.107 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.770 -6.688 1.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.296 -7.955 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.380 -6.144 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.191 -5.484 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.930 -5.387 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.659 -8.213 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.202 -7.457 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.373 -9.031 2.506 1.00 0.00 H new ATOM 244 N VAL A 17 -5.690 -5.454 -1.214 1.00 0.00 N ATOM 245 CA VAL A 17 -5.059 -4.416 -2.072 1.00 0.00 C ATOM 246 C VAL A 17 -6.138 -3.724 -2.906 1.00 0.00 C ATOM 247 O VAL A 17 -6.021 -2.569 -3.263 1.00 0.00 O ATOM 248 CB VAL A 17 -4.089 -5.184 -2.970 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.316 -4.200 -3.848 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.105 -5.970 -2.101 1.00 0.00 C ATOM 0 H VAL A 17 -5.705 -6.394 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.547 -3.644 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.649 -5.873 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.625 -4.749 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.015 -3.638 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.756 -3.511 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.413 -6.518 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.546 -5.280 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.654 -6.673 -1.474 1.00 0.00 H new ATOM 260 N HIS A 18 -7.194 -4.428 -3.216 1.00 0.00 N ATOM 261 CA HIS A 18 -8.290 -3.824 -4.024 1.00 0.00 C ATOM 262 C HIS A 18 -9.265 -3.065 -3.123 1.00 0.00 C ATOM 263 O HIS A 18 -9.587 -1.919 -3.367 1.00 0.00 O ATOM 264 CB HIS A 18 -8.994 -5.013 -4.675 1.00 0.00 C ATOM 265 CG HIS A 18 -8.116 -5.595 -5.747 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.368 -4.794 -6.619 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.851 -6.897 -6.108 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.697 -5.616 -7.453 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.968 -6.881 -7.169 1.00 0.00 N ATOM 0 H HIS A 18 -7.344 -5.399 -2.943 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.913 -3.110 -4.756 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.219 -5.771 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.945 -4.696 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.263 -7.779 -5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.034 -5.289 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.591 -7.698 -7.649 1.00 0.00 H new ATOM 277 N SER A 19 -9.747 -3.700 -2.089 1.00 0.00 N ATOM 278 CA SER A 19 -10.713 -3.018 -1.178 1.00 0.00 C ATOM 279 C SER A 19 -10.023 -1.900 -0.392 1.00 0.00 C ATOM 280 O SER A 19 -10.578 -0.841 -0.190 1.00 0.00 O ATOM 281 CB SER A 19 -11.211 -4.109 -0.232 1.00 0.00 C ATOM 282 OG SER A 19 -10.447 -4.076 0.966 1.00 0.00 O ATOM 0 H SER A 19 -9.515 -4.660 -1.835 1.00 0.00 H new ATOM 0 HA SER A 19 -11.529 -2.552 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.267 -3.958 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.123 -5.086 -0.707 1.00 0.00 H new ATOM 0 HG SER A 19 -9.640 -4.620 0.854 1.00 0.00 H new ATOM 288 N SER A 20 -8.819 -2.126 0.051 1.00 0.00 N ATOM 289 CA SER A 20 -8.106 -1.071 0.822 1.00 0.00 C ATOM 290 C SER A 20 -7.750 0.095 -0.094 1.00 0.00 C ATOM 291 O SER A 20 -8.053 1.233 0.192 1.00 0.00 O ATOM 292 CB SER A 20 -6.839 -1.745 1.345 1.00 0.00 C ATOM 293 OG SER A 20 -6.276 -0.948 2.380 1.00 0.00 O ATOM 0 H SER A 20 -8.299 -2.993 -0.087 1.00 0.00 H new ATOM 0 HA SER A 20 -8.715 -0.669 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.072 -2.740 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.120 -1.872 0.536 1.00 0.00 H new ATOM 0 HG SER A 20 -5.464 -1.379 2.719 1.00 0.00 H new ATOM 299 N ASN A 21 -7.105 -0.185 -1.189 1.00 0.00 N ATOM 300 CA ASN A 21 -6.714 0.901 -2.133 1.00 0.00 C ATOM 301 C ASN A 21 -7.875 1.873 -2.359 1.00 0.00 C ATOM 302 O ASN A 21 -7.673 3.048 -2.596 1.00 0.00 O ATOM 303 CB ASN A 21 -6.352 0.181 -3.433 1.00 0.00 C ATOM 304 CG ASN A 21 -5.884 1.203 -4.471 1.00 0.00 C ATOM 305 OD1 ASN A 21 -6.583 1.482 -5.423 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.720 1.776 -4.326 1.00 0.00 N ATOM 0 H ASN A 21 -6.829 -1.125 -1.474 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.886 1.497 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.566 -0.551 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.216 -0.367 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.398 2.458 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.132 1.542 -3.526 1.00 0.00 H new ATOM 313 N ASN A 22 -9.087 1.399 -2.297 1.00 0.00 N ATOM 314 CA ASN A 22 -10.251 2.311 -2.520 1.00 0.00 C ATOM 315 C ASN A 22 -10.041 3.635 -1.768 1.00 0.00 C ATOM 316 O ASN A 22 -10.261 4.713 -2.297 1.00 0.00 O ATOM 317 CB ASN A 22 -11.469 1.533 -1.984 1.00 0.00 C ATOM 318 CG ASN A 22 -11.858 2.010 -0.577 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.146 3.172 -0.376 1.00 0.00 O ATOM 320 ND2 ASN A 22 -11.884 1.153 0.406 1.00 0.00 N ATOM 0 H ASN A 22 -9.325 0.426 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.384 2.580 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.313 1.663 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.241 0.467 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.146 1.459 1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.642 0.176 0.238 1.00 0.00 H new ATOM 327 N PHE A 23 -9.619 3.555 -0.539 1.00 0.00 N ATOM 328 CA PHE A 23 -9.395 4.795 0.258 1.00 0.00 C ATOM 329 C PHE A 23 -8.386 5.703 -0.451 1.00 0.00 C ATOM 330 O PHE A 23 -8.257 6.868 -0.136 1.00 0.00 O ATOM 331 CB PHE A 23 -8.868 4.311 1.617 1.00 0.00 C ATOM 332 CG PHE A 23 -7.371 4.092 1.568 1.00 0.00 C ATOM 333 CD1 PHE A 23 -6.788 3.444 0.472 1.00 0.00 C ATOM 334 CD2 PHE A 23 -6.569 4.532 2.627 1.00 0.00 C ATOM 335 CE1 PHE A 23 -5.404 3.240 0.434 1.00 0.00 C ATOM 336 CE2 PHE A 23 -5.185 4.327 2.589 1.00 0.00 C ATOM 337 CZ PHE A 23 -4.603 3.681 1.491 1.00 0.00 C ATOM 0 H PHE A 23 -9.418 2.683 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.303 5.386 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.107 5.045 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.367 3.383 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.407 3.102 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.018 5.030 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.955 2.742 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.566 4.667 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.535 3.524 1.461 1.00 0.00 H new ATOM 347 N GLY A 24 -7.682 5.179 -1.418 1.00 0.00 N ATOM 348 CA GLY A 24 -6.698 6.012 -2.158 1.00 0.00 C ATOM 349 C GLY A 24 -7.399 6.646 -3.357 1.00 0.00 C ATOM 350 O GLY A 24 -7.036 7.713 -3.810 1.00 0.00 O ATOM 0 H GLY A 24 -7.748 4.209 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.291 6.785 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.859 5.401 -2.490 1.00 0.00 H new ATOM 354 N ALA A 25 -8.411 5.997 -3.870 1.00 0.00 N ATOM 355 CA ALA A 25 -9.145 6.564 -5.035 1.00 0.00 C ATOM 356 C ALA A 25 -9.854 7.854 -4.621 1.00 0.00 C ATOM 357 O ALA A 25 -10.112 8.719 -5.433 1.00 0.00 O ATOM 358 CB ALA A 25 -10.166 5.494 -5.428 1.00 0.00 C ATOM 0 H ALA A 25 -8.759 5.100 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.481 6.810 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.746 5.841 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.645 4.574 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.835 5.303 -4.589 1.00 0.00 H new ATOM 364 N ILE A 26 -10.160 7.997 -3.359 1.00 0.00 N ATOM 365 CA ILE A 26 -10.839 9.245 -2.901 1.00 0.00 C ATOM 366 C ILE A 26 -9.758 10.226 -2.502 1.00 0.00 C ATOM 367 O ILE A 26 -9.736 11.367 -2.917 1.00 0.00 O ATOM 368 CB ILE A 26 -11.702 8.829 -1.707 1.00 0.00 C ATOM 369 CG1 ILE A 26 -12.325 7.449 -1.973 1.00 0.00 C ATOM 370 CG2 ILE A 26 -12.814 9.859 -1.500 1.00 0.00 C ATOM 371 CD1 ILE A 26 -12.695 7.315 -3.457 1.00 0.00 C ATOM 0 H ILE A 26 -9.971 7.309 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.462 9.718 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.081 8.777 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.623 6.664 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -13.213 7.317 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.429 9.564 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.373 10.837 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.433 9.911 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.135 6.334 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.414 8.089 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.799 7.426 -4.067 1.00 0.00 H new ATOM 383 N LEU A 27 -8.816 9.750 -1.752 1.00 0.00 N ATOM 384 CA LEU A 27 -7.672 10.597 -1.375 1.00 0.00 C ATOM 385 C LEU A 27 -6.956 10.998 -2.669 1.00 0.00 C ATOM 386 O LEU A 27 -6.178 11.930 -2.714 1.00 0.00 O ATOM 387 CB LEU A 27 -6.808 9.665 -0.535 1.00 0.00 C ATOM 388 CG LEU A 27 -7.196 9.786 0.941 1.00 0.00 C ATOM 389 CD1 LEU A 27 -6.843 11.185 1.449 1.00 0.00 C ATOM 390 CD2 LEU A 27 -8.702 9.555 1.095 1.00 0.00 C ATOM 0 H LEU A 27 -8.792 8.800 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.926 11.509 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.935 8.636 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.755 9.915 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.652 9.040 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.119 11.271 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.771 11.352 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.387 11.931 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.978 9.641 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.246 10.301 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.956 8.558 0.734 1.00 0.00 H new ATOM 402 N SER A 28 -7.237 10.272 -3.727 1.00 0.00 N ATOM 403 CA SER A 28 -6.616 10.551 -5.049 1.00 0.00 C ATOM 404 C SER A 28 -7.139 11.863 -5.639 1.00 0.00 C ATOM 405 O SER A 28 -6.755 12.258 -6.719 1.00 0.00 O ATOM 406 CB SER A 28 -7.060 9.376 -5.921 1.00 0.00 C ATOM 407 OG SER A 28 -6.084 8.345 -5.853 1.00 0.00 O ATOM 0 H SER A 28 -7.884 9.484 -3.722 1.00 0.00 H new ATOM 0 HA SER A 28 -5.533 10.653 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.026 9.001 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.189 9.703 -6.953 1.00 0.00 H new ATOM 0 HG SER A 28 -5.991 8.044 -4.925 1.00 0.00 H new ATOM 413 N SER A 29 -8.021 12.539 -4.959 1.00 0.00 N ATOM 414 CA SER A 29 -8.550 13.811 -5.525 1.00 0.00 C ATOM 415 C SER A 29 -7.937 15.014 -4.814 1.00 0.00 C ATOM 416 O SER A 29 -8.281 16.150 -5.076 1.00 0.00 O ATOM 417 CB SER A 29 -10.062 13.751 -5.310 1.00 0.00 C ATOM 418 OG SER A 29 -10.721 14.085 -6.526 1.00 0.00 O ATOM 0 H SER A 29 -8.395 12.272 -4.048 1.00 0.00 H new ATOM 0 HA SER A 29 -8.301 13.923 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.356 12.753 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.357 14.443 -4.521 1.00 0.00 H new ATOM 0 HG SER A 29 -11.691 14.046 -6.394 1.00 0.00 H new ATOM 424 N THR A 30 -7.012 14.773 -3.936 1.00 0.00 N ATOM 425 CA THR A 30 -6.349 15.896 -3.221 1.00 0.00 C ATOM 426 C THR A 30 -5.708 16.828 -4.244 1.00 0.00 C ATOM 427 O THR A 30 -5.869 18.032 -4.214 1.00 0.00 O ATOM 428 CB THR A 30 -5.281 15.214 -2.365 1.00 0.00 C ATOM 429 OG1 THR A 30 -4.491 16.195 -1.711 1.00 0.00 O ATOM 430 CG2 THR A 30 -4.387 14.328 -3.238 1.00 0.00 C ATOM 0 H THR A 30 -6.683 13.842 -3.680 1.00 0.00 H new ATOM 0 HA THR A 30 -7.033 16.495 -2.620 1.00 0.00 H new ATOM 0 HB THR A 30 -5.774 14.591 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.809 15.754 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.631 13.849 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.995 13.565 -3.724 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.898 14.940 -3.996 1.00 0.00 H new ATOM 438 N ASN A 31 -4.997 16.248 -5.155 1.00 0.00 N ATOM 439 CA ASN A 31 -4.321 17.015 -6.234 1.00 0.00 C ATOM 440 C ASN A 31 -3.492 16.049 -7.087 1.00 0.00 C ATOM 441 O ASN A 31 -2.505 16.426 -7.688 1.00 0.00 O ATOM 442 CB ASN A 31 -3.415 18.026 -5.527 1.00 0.00 C ATOM 443 CG ASN A 31 -2.698 18.892 -6.569 1.00 0.00 C ATOM 444 OD1 ASN A 31 -1.817 19.657 -6.233 1.00 0.00 O ATOM 445 ND2 ASN A 31 -3.040 18.808 -7.830 1.00 0.00 N ATOM 0 H ASN A 31 -4.849 15.240 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.028 17.521 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.006 18.655 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.685 17.504 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.567 19.384 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.780 18.167 -8.116 1.00 0.00 H new ATOM 452 N VAL A 32 -3.892 14.803 -7.146 1.00 0.00 N ATOM 453 CA VAL A 32 -3.139 13.810 -7.961 1.00 0.00 C ATOM 454 C VAL A 32 -4.086 13.182 -8.981 1.00 0.00 C ATOM 455 O VAL A 32 -4.090 11.984 -9.189 1.00 0.00 O ATOM 456 CB VAL A 32 -2.638 12.758 -6.969 1.00 0.00 C ATOM 457 CG1 VAL A 32 -1.745 13.423 -5.922 1.00 0.00 C ATOM 458 CG2 VAL A 32 -3.831 12.101 -6.277 1.00 0.00 C ATOM 0 H VAL A 32 -4.710 14.433 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.310 14.258 -8.509 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.065 12.001 -7.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.390 12.672 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.892 13.890 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.315 14.182 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.474 11.352 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.405 12.859 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.466 11.623 -7.023 1.00 0.00 H new ATOM 468 N GLY A 33 -4.892 13.994 -9.611 1.00 0.00 N ATOM 469 CA GLY A 33 -5.858 13.473 -10.623 1.00 0.00 C ATOM 470 C GLY A 33 -5.208 12.352 -11.435 1.00 0.00 C ATOM 471 O GLY A 33 -5.875 11.462 -11.924 1.00 0.00 O ATOM 0 H GLY A 33 -4.923 15.003 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.754 13.101 -10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.173 14.279 -11.286 1.00 0.00 H new ATOM 475 N SER A 34 -3.911 12.385 -11.582 1.00 0.00 N ATOM 476 CA SER A 34 -3.222 11.318 -12.363 1.00 0.00 C ATOM 477 C SER A 34 -3.614 11.425 -13.837 1.00 0.00 C ATOM 478 O SER A 34 -3.517 10.476 -14.590 1.00 0.00 O ATOM 479 CB SER A 34 -3.715 10.001 -11.761 1.00 0.00 C ATOM 480 OG SER A 34 -2.743 8.988 -11.984 1.00 0.00 O ATOM 0 H SER A 34 -3.299 13.104 -11.195 1.00 0.00 H new ATOM 0 HA SER A 34 -2.136 11.397 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.893 10.121 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.665 9.715 -12.212 1.00 0.00 H new ATOM 0 HG SER A 34 -3.056 8.144 -11.598 1.00 0.00 H new ATOM 486 N ASN A 35 -4.056 12.581 -14.250 1.00 0.00 N ATOM 487 CA ASN A 35 -4.456 12.766 -15.673 1.00 0.00 C ATOM 488 C ASN A 35 -3.240 13.183 -16.508 1.00 0.00 C ATOM 489 O ASN A 35 -2.212 13.560 -15.980 1.00 0.00 O ATOM 490 CB ASN A 35 -5.510 13.880 -15.637 1.00 0.00 C ATOM 491 CG ASN A 35 -5.582 14.587 -16.994 1.00 0.00 C ATOM 492 OD1 ASN A 35 -5.993 14.003 -17.978 1.00 0.00 O ATOM 493 ND2 ASN A 35 -5.197 15.831 -17.086 1.00 0.00 N ATOM 0 H ASN A 35 -4.158 13.408 -13.661 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.847 11.855 -16.126 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.484 13.460 -15.386 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.262 14.600 -14.857 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.241 16.313 -17.984 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.852 16.321 -16.260 1.00 0.00 H new ATOM 500 N THR A 36 -3.351 13.115 -17.805 1.00 0.00 N ATOM 501 CA THR A 36 -2.202 13.504 -18.671 1.00 0.00 C ATOM 502 C THR A 36 -0.954 12.710 -18.275 1.00 0.00 C ATOM 503 O THR A 36 -0.340 12.969 -17.259 1.00 0.00 O ATOM 504 CB THR A 36 -1.997 14.997 -18.408 1.00 0.00 C ATOM 505 OG1 THR A 36 -3.025 15.733 -19.057 1.00 0.00 O ATOM 506 CG2 THR A 36 -0.636 15.430 -18.953 1.00 0.00 C ATOM 0 H THR A 36 -4.186 12.807 -18.303 1.00 0.00 H new ATOM 0 HA THR A 36 -2.388 13.299 -19.725 1.00 0.00 H new ATOM 0 HB THR A 36 -2.033 15.187 -17.335 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.898 16.690 -18.889 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.491 16.494 -18.765 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.152 14.863 -18.457 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.597 15.242 -20.026 1.00 0.00 H new ATOM 514 N TYR A 37 -0.580 11.743 -19.067 1.00 0.00 N ATOM 515 CA TYR A 37 0.624 10.931 -18.735 1.00 0.00 C ATOM 516 C TYR A 37 1.823 11.401 -19.561 1.00 0.00 C ATOM 517 O TYR A 37 2.936 11.058 -19.200 1.00 0.00 O ATOM 518 CB TYR A 37 0.241 9.501 -19.111 1.00 0.00 C ATOM 519 CG TYR A 37 -0.231 9.463 -20.543 1.00 0.00 C ATOM 520 CD1 TYR A 37 0.701 9.450 -21.587 1.00 0.00 C ATOM 521 CD2 TYR A 37 -1.603 9.435 -20.827 1.00 0.00 C ATOM 522 CE1 TYR A 37 0.263 9.410 -22.915 1.00 0.00 C ATOM 523 CE2 TYR A 37 -2.040 9.396 -22.156 1.00 0.00 C ATOM 524 CZ TYR A 37 -1.107 9.382 -23.200 1.00 0.00 C ATOM 525 OH TYR A 37 -1.538 9.342 -24.510 1.00 0.00 O ATOM 526 OXT TYR A 37 1.607 12.096 -20.539 1.00 0.00 O ATOM 0 H TYR A 37 -1.056 11.480 -19.930 1.00 0.00 H new ATOM 0 HA TYR A 37 0.910 11.018 -17.687 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.097 8.839 -18.982 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.545 9.138 -18.449 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.758 9.471 -21.367 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.322 9.444 -20.021 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.982 9.401 -23.721 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.097 9.377 -22.376 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.518 9.326 -24.532 1.00 0.00 H new TER 536 TYR A 37