USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 508 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.92 K(o=-0.92,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.954 (180deg=-2.09!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.2!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 57 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.461 -22.664 -16.753 1.00 0.00 N ATOM 2 CA GLY A 1 6.114 -22.686 -15.344 1.00 0.00 C ATOM 3 C GLY A 1 4.617 -22.611 -15.114 1.00 0.00 C ATOM 4 O GLY A 1 4.081 -21.544 -14.818 1.00 0.00 O ATOM 0 H1 GLY A 1 7.494 -22.717 -16.857 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.023 -23.477 -17.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.115 -21.782 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.503 -23.598 -14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.598 -21.849 -14.841 1.00 0.00 H new ATOM 8 N SER A 2 3.941 -23.747 -15.252 1.00 0.00 N ATOM 9 CA SER A 2 2.497 -23.805 -15.063 1.00 0.00 C ATOM 10 C SER A 2 2.115 -23.359 -13.655 1.00 0.00 C ATOM 11 O SER A 2 1.281 -22.471 -13.478 1.00 0.00 O ATOM 12 CB SER A 2 1.984 -25.224 -15.318 1.00 0.00 C ATOM 13 OG SER A 2 2.218 -25.618 -16.658 1.00 0.00 O ATOM 0 H SER A 2 4.371 -24.640 -15.494 1.00 0.00 H new ATOM 0 HA SER A 2 2.034 -23.125 -15.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.478 -25.920 -14.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.917 -25.272 -15.103 1.00 0.00 H new ATOM 0 HG SER A 2 1.883 -26.529 -16.795 1.00 0.00 H new ATOM 19 N SER A 3 2.731 -23.983 -12.656 1.00 0.00 N ATOM 20 CA SER A 3 2.454 -23.654 -11.263 1.00 0.00 C ATOM 21 C SER A 3 3.054 -22.301 -10.894 1.00 0.00 C ATOM 22 O SER A 3 3.893 -21.764 -11.617 1.00 0.00 O ATOM 23 CB SER A 3 3.011 -24.740 -10.340 1.00 0.00 C ATOM 24 OG SER A 3 4.415 -24.865 -10.489 1.00 0.00 O ATOM 0 H SER A 3 3.425 -24.719 -12.786 1.00 0.00 H new ATOM 0 HA SER A 3 1.373 -23.599 -11.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.772 -24.499 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.532 -25.693 -10.564 1.00 0.00 H new ATOM 0 HG SER A 3 4.747 -25.564 -9.887 1.00 0.00 H new ATOM 30 N GLY A 4 2.618 -21.755 -9.763 1.00 0.00 N ATOM 31 CA GLY A 4 3.121 -20.469 -9.317 1.00 0.00 C ATOM 32 C GLY A 4 2.378 -19.943 -8.106 1.00 0.00 C ATOM 33 O GLY A 4 1.737 -20.707 -7.383 1.00 0.00 O ATOM 0 H GLY A 4 1.925 -22.181 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.180 -20.560 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.039 -19.748 -10.131 1.00 0.00 H new ATOM 37 N SER A 5 2.464 -18.636 -7.881 1.00 0.00 N ATOM 38 CA SER A 5 1.798 -18.010 -6.745 1.00 0.00 C ATOM 39 C SER A 5 1.254 -16.636 -7.123 1.00 0.00 C ATOM 40 O SER A 5 1.954 -15.825 -7.731 1.00 0.00 O ATOM 41 CB SER A 5 2.766 -17.882 -5.567 1.00 0.00 C ATOM 42 OG SER A 5 2.123 -17.318 -4.437 1.00 0.00 O ATOM 0 H SER A 5 2.989 -17.990 -8.471 1.00 0.00 H new ATOM 0 HA SER A 5 0.961 -18.644 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.163 -18.864 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.614 -17.260 -5.855 1.00 0.00 H new ATOM 0 HG SER A 5 2.762 -17.248 -3.698 1.00 0.00 H new ATOM 48 N SER A 6 0.002 -16.381 -6.759 1.00 0.00 N ATOM 49 CA SER A 6 -0.638 -15.106 -7.063 1.00 0.00 C ATOM 50 C SER A 6 0.014 -13.970 -6.281 1.00 0.00 C ATOM 51 O SER A 6 0.295 -12.905 -6.829 1.00 0.00 O ATOM 52 CB SER A 6 -2.132 -15.172 -6.739 1.00 0.00 C ATOM 53 OG SER A 6 -2.810 -16.040 -7.631 1.00 0.00 O ATOM 0 H SER A 6 -0.590 -17.040 -6.253 1.00 0.00 H new ATOM 0 HA SER A 6 -0.512 -14.909 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.270 -15.518 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.565 -14.173 -6.799 1.00 0.00 H new ATOM 0 HG SER A 6 -3.762 -16.066 -7.402 1.00 0.00 H new ATOM 59 N GLY A 7 0.252 -14.207 -4.994 1.00 0.00 N ATOM 60 CA GLY A 7 0.869 -13.195 -4.156 1.00 0.00 C ATOM 61 C GLY A 7 -0.140 -12.213 -3.595 1.00 0.00 C ATOM 62 O GLY A 7 -1.238 -12.064 -4.132 1.00 0.00 O ATOM 0 H GLY A 7 0.029 -15.081 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.395 -13.680 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.615 -12.653 -4.736 1.00 0.00 H new ATOM 66 N LYS A 8 0.231 -11.540 -2.511 1.00 0.00 N ATOM 67 CA LYS A 8 -0.649 -10.566 -1.876 1.00 0.00 C ATOM 68 C LYS A 8 -0.429 -9.173 -2.458 1.00 0.00 C ATOM 69 O LYS A 8 0.707 -8.761 -2.693 1.00 0.00 O ATOM 70 CB LYS A 8 -0.411 -10.542 -0.365 1.00 0.00 C ATOM 71 CG LYS A 8 0.988 -10.097 0.024 1.00 0.00 C ATOM 72 CD LYS A 8 1.153 -10.029 1.533 1.00 0.00 C ATOM 73 CE LYS A 8 1.580 -11.372 2.108 1.00 0.00 C ATOM 74 NZ LYS A 8 1.773 -11.307 3.583 1.00 0.00 N ATOM 0 H LYS A 8 1.136 -11.651 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.679 -10.863 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.137 -9.874 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.592 -11.538 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.720 -10.790 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.193 -9.118 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.895 -9.271 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.213 -9.719 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.827 -12.124 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.508 -11.692 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.063 -12.241 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.510 -10.608 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.881 -11.027 4.038 1.00 0.00 H new ATOM 88 N ALA A 9 -1.522 -8.452 -2.685 1.00 0.00 N ATOM 89 CA ALA A 9 -1.447 -7.105 -3.236 1.00 0.00 C ATOM 90 C ALA A 9 -1.956 -6.074 -2.234 1.00 0.00 C ATOM 91 O ALA A 9 -2.710 -6.403 -1.319 1.00 0.00 O ATOM 92 CB ALA A 9 -2.240 -7.019 -4.532 1.00 0.00 C ATOM 0 H ALA A 9 -2.470 -8.778 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.401 -6.884 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.175 -6.007 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.830 -7.723 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.284 -7.266 -4.337 1.00 0.00 H new ATOM 98 N ALA A 10 -1.537 -4.825 -2.413 1.00 0.00 N ATOM 99 CA ALA A 10 -1.952 -3.746 -1.525 1.00 0.00 C ATOM 100 C ALA A 10 -2.308 -2.491 -2.315 1.00 0.00 C ATOM 101 O ALA A 10 -1.506 -1.997 -3.108 1.00 0.00 O ATOM 102 CB ALA A 10 -0.855 -3.442 -0.515 1.00 0.00 C ATOM 0 H ALA A 10 -0.911 -4.536 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.844 -4.072 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.179 -2.634 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.650 -4.333 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.051 -3.141 -1.041 1.00 0.00 H new ATOM 108 N ARG A 11 -3.514 -1.980 -2.093 1.00 0.00 N ATOM 109 CA ARG A 11 -3.977 -0.784 -2.786 1.00 0.00 C ATOM 110 C ARG A 11 -3.540 0.477 -2.045 1.00 0.00 C ATOM 111 O ARG A 11 -3.339 0.457 -0.830 1.00 0.00 O ATOM 112 CB ARG A 11 -5.500 -0.805 -2.924 1.00 0.00 C ATOM 113 CG ARG A 11 -6.029 0.146 -3.986 1.00 0.00 C ATOM 114 CD ARG A 11 -6.055 -0.509 -5.358 1.00 0.00 C ATOM 115 NE ARG A 11 -6.996 0.148 -6.260 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.300 -0.105 -6.273 1.00 0.00 C ATOM 117 NH1 ARG A 11 -8.815 -0.995 -5.435 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.093 0.534 -7.124 1.00 0.00 N ATOM 0 H ARG A 11 -4.189 -2.376 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.530 -0.775 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.821 -1.819 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.947 -0.548 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.034 0.470 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.405 1.039 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.056 -0.480 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.327 -1.559 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.632 0.839 -6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.209 -1.487 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.817 -1.187 -5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.701 1.220 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.094 0.339 -7.133 1.00 0.00 H new ATOM 132 N LEU A 12 -3.395 1.571 -2.784 1.00 0.00 N ATOM 133 CA LEU A 12 -2.982 2.841 -2.198 1.00 0.00 C ATOM 134 C LEU A 12 -4.185 3.610 -1.661 1.00 0.00 C ATOM 135 O LEU A 12 -5.047 4.048 -2.424 1.00 0.00 O ATOM 136 CB LEU A 12 -2.243 3.688 -3.236 1.00 0.00 C ATOM 137 CG LEU A 12 -0.730 3.480 -3.318 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.067 3.866 -2.005 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.409 2.036 -3.675 1.00 0.00 C ATOM 0 H LEU A 12 -3.557 1.604 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.310 2.628 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.672 3.481 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.434 4.739 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.336 4.124 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.009 3.712 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.269 4.915 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.466 3.248 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.672 1.906 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.816 1.373 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.852 1.793 -4.641 1.00 0.00 H new ATOM 151 N LYS A 13 -4.236 3.773 -0.344 1.00 0.00 N ATOM 152 CA LYS A 13 -5.331 4.492 0.297 1.00 0.00 C ATOM 153 C LYS A 13 -5.432 5.917 -0.238 1.00 0.00 C ATOM 154 O LYS A 13 -6.507 6.518 -0.233 1.00 0.00 O ATOM 155 CB LYS A 13 -5.133 4.518 1.814 1.00 0.00 C ATOM 156 CG LYS A 13 -5.351 3.170 2.479 1.00 0.00 C ATOM 157 CD LYS A 13 -6.830 2.843 2.604 1.00 0.00 C ATOM 158 CE LYS A 13 -7.450 3.523 3.815 1.00 0.00 C ATOM 159 NZ LYS A 13 -8.813 2.998 4.107 1.00 0.00 N ATOM 0 H LYS A 13 -3.531 3.417 0.301 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.260 3.969 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.123 4.863 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.820 5.244 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.853 2.393 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.893 3.173 3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.351 3.160 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.960 1.764 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.809 3.373 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.504 4.598 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.202 3.486 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.432 3.164 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.758 1.977 4.299 1.00 0.00 H new ATOM 173 N PHE A 14 -4.307 6.453 -0.700 1.00 0.00 N ATOM 174 CA PHE A 14 -4.270 7.807 -1.238 1.00 0.00 C ATOM 175 C PHE A 14 -3.044 8.006 -2.125 1.00 0.00 C ATOM 176 O PHE A 14 -2.044 7.301 -1.987 1.00 0.00 O ATOM 177 CB PHE A 14 -4.262 8.831 -0.101 1.00 0.00 C ATOM 178 CG PHE A 14 -5.371 8.632 0.892 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.619 9.196 0.678 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.167 7.881 2.038 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.641 9.016 1.591 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.185 7.697 2.954 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.424 8.264 2.729 1.00 0.00 C ATOM 0 H PHE A 14 -3.409 5.970 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.164 7.955 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.305 8.777 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.339 9.833 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.795 9.782 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.200 7.434 2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.608 9.463 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.012 7.111 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.222 8.120 3.442 1.00 0.00 H new ATOM 193 N ASP A 15 -3.130 8.970 -3.035 1.00 0.00 N ATOM 194 CA ASP A 15 -2.029 9.263 -3.945 1.00 0.00 C ATOM 195 C ASP A 15 -0.755 9.587 -3.170 1.00 0.00 C ATOM 196 O ASP A 15 -0.803 10.218 -2.114 1.00 0.00 O ATOM 197 CB ASP A 15 -2.394 10.431 -4.863 1.00 0.00 C ATOM 198 CG ASP A 15 -1.680 10.363 -6.198 1.00 0.00 C ATOM 199 OD1 ASP A 15 -0.431 10.384 -6.205 1.00 0.00 O ATOM 200 OD2 ASP A 15 -2.370 10.289 -7.237 1.00 0.00 O ATOM 0 H ASP A 15 -3.951 9.562 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.847 8.377 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.471 10.435 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.145 11.370 -4.368 1.00 0.00 H new ATOM 205 N PHE A 16 0.382 9.151 -3.702 1.00 0.00 N ATOM 206 CA PHE A 16 1.668 9.393 -3.059 1.00 0.00 C ATOM 207 C PHE A 16 2.653 10.031 -4.035 1.00 0.00 C ATOM 208 O PHE A 16 3.147 9.374 -4.951 1.00 0.00 O ATOM 209 CB PHE A 16 2.246 8.084 -2.517 1.00 0.00 C ATOM 210 CG PHE A 16 3.642 8.222 -1.980 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.859 8.605 -0.666 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.738 7.968 -2.789 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.142 8.733 -0.170 1.00 0.00 C ATOM 214 CE2 PHE A 16 6.024 8.094 -2.299 1.00 0.00 C ATOM 215 CZ PHE A 16 6.226 8.476 -0.987 1.00 0.00 C ATOM 0 H PHE A 16 0.439 8.629 -4.576 1.00 0.00 H new ATOM 0 HA PHE A 16 1.507 10.082 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.596 7.709 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.243 7.338 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.015 8.806 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.585 7.668 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.297 9.034 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.869 7.894 -2.941 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.230 8.574 -0.601 1.00 0.00 H new ATOM 225 N GLN A 17 2.931 11.314 -3.832 1.00 0.00 N ATOM 226 CA GLN A 17 3.855 12.041 -4.695 1.00 0.00 C ATOM 227 C GLN A 17 5.273 11.995 -4.136 1.00 0.00 C ATOM 228 O GLN A 17 5.518 12.416 -3.006 1.00 0.00 O ATOM 229 CB GLN A 17 3.403 13.494 -4.853 1.00 0.00 C ATOM 230 CG GLN A 17 2.366 13.693 -5.947 1.00 0.00 C ATOM 231 CD GLN A 17 2.727 12.975 -7.232 1.00 0.00 C ATOM 232 OE1 GLN A 17 2.479 11.778 -7.379 1.00 0.00 O ATOM 233 NE2 GLN A 17 3.317 13.705 -8.172 1.00 0.00 N ATOM 0 H GLN A 17 2.530 11.872 -3.078 1.00 0.00 H new ATOM 0 HA GLN A 17 3.854 11.559 -5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.991 13.843 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.272 14.115 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.399 13.335 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.257 14.759 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.504 14.694 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.583 13.276 -9.058 1.00 0.00 H new ATOM 242 N ALA A 18 6.202 11.481 -4.934 1.00 0.00 N ATOM 243 CA ALA A 18 7.596 11.382 -4.519 1.00 0.00 C ATOM 244 C ALA A 18 8.433 12.499 -5.133 1.00 0.00 C ATOM 245 O ALA A 18 8.568 12.587 -6.353 1.00 0.00 O ATOM 246 CB ALA A 18 8.165 10.023 -4.901 1.00 0.00 C ATOM 0 H ALA A 18 6.015 11.126 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 18 7.635 11.489 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.207 9.963 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.591 9.237 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.106 9.894 -5.982 1.00 0.00 H new ATOM 252 N GLN A 19 8.990 13.352 -4.279 1.00 0.00 N ATOM 253 CA GLN A 19 9.812 14.465 -4.738 1.00 0.00 C ATOM 254 C GLN A 19 11.221 13.995 -5.083 1.00 0.00 C ATOM 255 O GLN A 19 11.905 14.603 -5.907 1.00 0.00 O ATOM 256 CB GLN A 19 9.873 15.557 -3.669 1.00 0.00 C ATOM 257 CG GLN A 19 10.515 16.847 -4.153 1.00 0.00 C ATOM 258 CD GLN A 19 11.192 17.617 -3.036 1.00 0.00 C ATOM 259 OE1 GLN A 19 10.724 17.622 -1.897 1.00 0.00 O ATOM 260 NE2 GLN A 19 12.301 18.273 -3.357 1.00 0.00 N ATOM 0 H GLN A 19 8.887 13.293 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 19 9.354 14.874 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.862 15.772 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.431 15.183 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.248 16.616 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.754 17.477 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.653 18.241 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.800 18.808 -2.647 1.00 0.00 H new ATOM 269 N SER A 20 11.650 12.909 -4.448 1.00 0.00 N ATOM 270 CA SER A 20 12.980 12.359 -4.685 1.00 0.00 C ATOM 271 C SER A 20 12.915 11.176 -5.645 1.00 0.00 C ATOM 272 O SER A 20 11.871 10.550 -5.831 1.00 0.00 O ATOM 273 CB SER A 20 13.618 11.925 -3.364 1.00 0.00 C ATOM 274 OG SER A 20 14.295 13.005 -2.745 1.00 0.00 O ATOM 0 H SER A 20 11.096 12.392 -3.765 1.00 0.00 H new ATOM 0 HA SER A 20 13.594 13.138 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.849 11.542 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.318 11.109 -3.545 1.00 0.00 H new ATOM 0 HG SER A 20 14.692 12.702 -1.902 1.00 0.00 H new ATOM 280 N PRO A 21 14.059 10.859 -6.271 1.00 0.00 N ATOM 281 CA PRO A 21 14.160 9.749 -7.222 1.00 0.00 C ATOM 282 C PRO A 21 14.042 8.389 -6.541 1.00 0.00 C ATOM 283 O PRO A 21 13.383 7.483 -7.051 1.00 0.00 O ATOM 284 CB PRO A 21 15.555 9.925 -7.826 1.00 0.00 C ATOM 285 CG PRO A 21 16.328 10.660 -6.787 1.00 0.00 C ATOM 286 CD PRO A 21 15.341 11.561 -6.097 1.00 0.00 C ATOM 0 HA PRO A 21 13.356 9.769 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.013 8.962 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.514 10.486 -8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.786 9.969 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.135 11.238 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.587 11.694 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.320 12.554 -6.547 1.00 0.00 H new ATOM 294 N LYS A 22 14.684 8.254 -5.386 1.00 0.00 N ATOM 295 CA LYS A 22 14.650 7.006 -4.633 1.00 0.00 C ATOM 296 C LYS A 22 13.217 6.621 -4.281 1.00 0.00 C ATOM 297 O LYS A 22 12.844 5.451 -4.354 1.00 0.00 O ATOM 298 CB LYS A 22 15.483 7.135 -3.355 1.00 0.00 C ATOM 299 CG LYS A 22 16.108 5.826 -2.902 1.00 0.00 C ATOM 300 CD LYS A 22 17.027 6.030 -1.709 1.00 0.00 C ATOM 301 CE LYS A 22 16.261 5.957 -0.397 1.00 0.00 C ATOM 302 NZ LYS A 22 15.441 7.178 -0.164 1.00 0.00 N ATOM 0 H LYS A 22 15.235 8.994 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 22 15.075 6.221 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.273 7.868 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.850 7.522 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.322 5.118 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.671 5.387 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.810 5.271 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.521 6.998 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.613 5.080 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.963 5.829 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.269 7.291 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.949 8.011 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.532 7.085 -0.660 1.00 0.00 H new ATOM 316 N GLU A 23 12.419 7.614 -3.900 1.00 0.00 N ATOM 317 CA GLU A 23 11.027 7.378 -3.537 1.00 0.00 C ATOM 318 C GLU A 23 10.237 6.844 -4.730 1.00 0.00 C ATOM 319 O GLU A 23 10.548 7.150 -5.882 1.00 0.00 O ATOM 320 CB GLU A 23 10.384 8.668 -3.023 1.00 0.00 C ATOM 321 CG GLU A 23 10.585 8.895 -1.534 1.00 0.00 C ATOM 322 CD GLU A 23 9.984 10.203 -1.057 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.504 11.271 -1.443 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.993 10.159 -0.298 1.00 0.00 O ATOM 0 H GLU A 23 12.713 8.589 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 23 11.007 6.630 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.799 9.514 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.316 8.642 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.136 8.070 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.652 8.886 -1.310 1.00 0.00 H new ATOM 331 N LEU A 24 9.215 6.046 -4.445 1.00 0.00 N ATOM 332 CA LEU A 24 8.380 5.468 -5.493 1.00 0.00 C ATOM 333 C LEU A 24 7.150 6.334 -5.748 1.00 0.00 C ATOM 334 O LEU A 24 6.501 6.801 -4.811 1.00 0.00 O ATOM 335 CB LEU A 24 7.950 4.052 -5.107 1.00 0.00 C ATOM 336 CG LEU A 24 7.720 3.081 -6.266 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.308 1.714 -5.743 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.667 3.629 -7.219 1.00 0.00 C ATOM 0 H LEU A 24 8.944 5.784 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 24 8.968 5.425 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.710 3.629 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.030 4.119 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 24 8.656 2.971 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.149 1.036 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.095 1.318 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.385 1.806 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.516 2.925 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.728 3.769 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.002 4.586 -7.620 1.00 0.00 H new ATOM 350 N THR A 25 6.833 6.542 -7.022 1.00 0.00 N ATOM 351 CA THR A 25 5.681 7.350 -7.401 1.00 0.00 C ATOM 352 C THR A 25 4.432 6.489 -7.552 1.00 0.00 C ATOM 353 O THR A 25 4.327 5.686 -8.480 1.00 0.00 O ATOM 354 CB THR A 25 5.933 8.105 -8.719 1.00 0.00 C ATOM 355 OG1 THR A 25 7.226 8.720 -8.692 1.00 0.00 O ATOM 356 CG2 THR A 25 4.866 9.165 -8.949 1.00 0.00 C ATOM 0 H THR A 25 7.358 6.162 -7.809 1.00 0.00 H new ATOM 0 HA THR A 25 5.526 8.074 -6.601 1.00 0.00 H new ATOM 0 HB THR A 25 5.890 7.386 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.379 9.197 -9.534 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.066 9.685 -9.886 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.886 8.690 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.881 9.881 -8.127 1.00 0.00 H new ATOM 364 N LEU A 26 3.486 6.662 -6.635 1.00 0.00 N ATOM 365 CA LEU A 26 2.242 5.901 -6.667 1.00 0.00 C ATOM 366 C LEU A 26 1.033 6.832 -6.665 1.00 0.00 C ATOM 367 O LEU A 26 1.134 7.992 -6.267 1.00 0.00 O ATOM 368 CB LEU A 26 2.171 4.951 -5.470 1.00 0.00 C ATOM 369 CG LEU A 26 3.401 4.074 -5.235 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.557 3.758 -3.755 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.304 2.792 -6.049 1.00 0.00 C ATOM 0 H LEU A 26 3.557 7.322 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 26 2.226 5.317 -7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.995 5.543 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.305 4.301 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 26 4.284 4.623 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.438 3.133 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.673 4.686 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.673 3.228 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.188 2.180 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.413 2.239 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.242 3.038 -7.109 1.00 0.00 H new ATOM 383 N GLN A 27 -0.107 6.314 -7.109 1.00 0.00 N ATOM 384 CA GLN A 27 -1.335 7.099 -7.156 1.00 0.00 C ATOM 385 C GLN A 27 -2.452 6.409 -6.380 1.00 0.00 C ATOM 386 O GLN A 27 -2.299 5.276 -5.925 1.00 0.00 O ATOM 387 CB GLN A 27 -1.767 7.321 -8.607 1.00 0.00 C ATOM 388 CG GLN A 27 -2.047 6.032 -9.363 1.00 0.00 C ATOM 389 CD GLN A 27 -3.029 6.225 -10.501 1.00 0.00 C ATOM 390 OE1 GLN A 27 -2.683 6.773 -11.549 1.00 0.00 O ATOM 391 NE2 GLN A 27 -4.262 5.774 -10.303 1.00 0.00 N ATOM 0 H GLN A 27 -0.206 5.355 -7.441 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.138 8.065 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.663 7.942 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.987 7.876 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.111 5.637 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.440 5.287 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.506 5.326 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.966 5.875 -11.034 1.00 0.00 H new ATOM 400 N LYS A 28 -3.577 7.101 -6.232 1.00 0.00 N ATOM 401 CA LYS A 28 -4.722 6.556 -5.512 1.00 0.00 C ATOM 402 C LYS A 28 -5.343 5.392 -6.278 1.00 0.00 C ATOM 403 O LYS A 28 -5.856 5.567 -7.382 1.00 0.00 O ATOM 404 CB LYS A 28 -5.771 7.646 -5.281 1.00 0.00 C ATOM 405 CG LYS A 28 -6.822 7.270 -4.251 1.00 0.00 C ATOM 406 CD LYS A 28 -7.957 6.476 -4.876 1.00 0.00 C ATOM 407 CE LYS A 28 -9.079 6.228 -3.880 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.802 4.958 -4.164 1.00 0.00 N ATOM 0 H LYS A 28 -3.720 8.041 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.371 6.187 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.270 8.559 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.265 7.870 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.361 6.683 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.220 8.174 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.348 7.016 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.577 5.522 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.668 6.194 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.782 7.061 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.559 4.825 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.216 5.000 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.137 4.160 -4.110 1.00 0.00 H new ATOM 422 N GLY A 29 -5.292 4.204 -5.683 1.00 0.00 N ATOM 423 CA GLY A 29 -5.855 3.030 -6.323 1.00 0.00 C ATOM 424 C GLY A 29 -4.842 2.294 -7.178 1.00 0.00 C ATOM 425 O GLY A 29 -5.147 1.882 -8.297 1.00 0.00 O ATOM 0 H GLY A 29 -4.871 4.034 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.241 2.354 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.701 3.328 -6.943 1.00 0.00 H new ATOM 429 N ASP A 30 -3.633 2.132 -6.652 1.00 0.00 N ATOM 430 CA ASP A 30 -2.571 1.442 -7.375 1.00 0.00 C ATOM 431 C ASP A 30 -2.114 0.200 -6.615 1.00 0.00 C ATOM 432 O ASP A 30 -2.210 0.140 -5.389 1.00 0.00 O ATOM 433 CB ASP A 30 -1.385 2.381 -7.601 1.00 0.00 C ATOM 434 CG ASP A 30 -0.385 1.823 -8.594 1.00 0.00 C ATOM 435 OD1 ASP A 30 -0.699 1.801 -9.802 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.711 1.407 -8.163 1.00 0.00 O ATOM 0 H ASP A 30 -3.364 2.469 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.967 1.130 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.751 3.343 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.885 2.565 -6.650 1.00 0.00 H new ATOM 441 N ILE A 31 -1.619 -0.789 -7.352 1.00 0.00 N ATOM 442 CA ILE A 31 -1.148 -2.029 -6.748 1.00 0.00 C ATOM 443 C ILE A 31 0.369 -2.148 -6.849 1.00 0.00 C ATOM 444 O ILE A 31 0.970 -1.732 -7.839 1.00 0.00 O ATOM 445 CB ILE A 31 -1.795 -3.259 -7.411 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.316 -3.103 -7.453 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.407 -4.528 -6.666 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.987 -3.366 -6.123 1.00 0.00 C ATOM 0 H ILE A 31 -1.534 -0.755 -8.368 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.438 -1.999 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.429 -3.336 -8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.561 -2.093 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.723 -3.787 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.872 -5.389 -7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.323 -4.644 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.747 -4.462 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.064 -3.237 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.773 -4.386 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.608 -2.665 -5.379 1.00 0.00 H new ATOM 460 N VAL A 32 0.982 -2.722 -5.819 1.00 0.00 N ATOM 461 CA VAL A 32 2.429 -2.900 -5.793 1.00 0.00 C ATOM 462 C VAL A 32 2.813 -4.161 -5.027 1.00 0.00 C ATOM 463 O VAL A 32 1.974 -4.788 -4.380 1.00 0.00 O ATOM 464 CB VAL A 32 3.131 -1.689 -5.152 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.753 -0.406 -5.877 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.788 -1.595 -3.673 1.00 0.00 C ATOM 0 H VAL A 32 0.499 -3.072 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 32 2.756 -2.994 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 32 4.208 -1.826 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.259 0.439 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.054 -0.476 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.674 -0.260 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.293 -0.733 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.710 -1.482 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.115 -2.503 -3.165 1.00 0.00 H new ATOM 476 N TYR A 33 4.088 -4.527 -5.103 1.00 0.00 N ATOM 477 CA TYR A 33 4.585 -5.714 -4.419 1.00 0.00 C ATOM 478 C TYR A 33 5.728 -5.360 -3.472 1.00 0.00 C ATOM 479 O TYR A 33 6.654 -4.637 -3.843 1.00 0.00 O ATOM 480 CB TYR A 33 5.054 -6.756 -5.436 1.00 0.00 C ATOM 481 CG TYR A 33 4.009 -7.105 -6.471 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.084 -8.116 -6.239 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.948 -6.425 -7.681 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.128 -8.438 -7.183 1.00 0.00 C ATOM 485 CE2 TYR A 33 2.994 -6.740 -8.630 1.00 0.00 C ATOM 486 CZ TYR A 33 2.087 -7.748 -8.376 1.00 0.00 C ATOM 487 OH TYR A 33 1.136 -8.066 -9.319 1.00 0.00 O ATOM 0 H TYR A 33 4.796 -4.018 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 33 3.768 -6.132 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.944 -6.382 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.346 -7.663 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.113 -8.659 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.658 -5.637 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.416 -9.226 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.959 -6.200 -9.565 1.00 0.00 H new ATOM 0 HH TYR A 33 1.244 -7.485 -10.101 1.00 0.00 H new ATOM 497 N ILE A 34 5.656 -5.874 -2.249 1.00 0.00 N ATOM 498 CA ILE A 34 6.685 -5.614 -1.250 1.00 0.00 C ATOM 499 C ILE A 34 7.717 -6.736 -1.219 1.00 0.00 C ATOM 500 O ILE A 34 7.436 -7.839 -0.750 1.00 0.00 O ATOM 501 CB ILE A 34 6.076 -5.452 0.156 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.093 -4.280 0.178 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.175 -5.248 1.188 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.683 -4.666 -0.210 1.00 0.00 C ATOM 0 H ILE A 34 4.896 -6.473 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 34 7.174 -4.682 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 34 5.532 -6.362 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.080 -3.846 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.449 -3.505 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.730 -5.135 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.840 -6.111 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.744 -4.351 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.041 -3.786 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.682 -5.072 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.308 -5.418 0.484 1.00 0.00 H new ATOM 516 N HIS A 35 8.914 -6.445 -1.719 1.00 0.00 N ATOM 517 CA HIS A 35 9.990 -7.429 -1.747 1.00 0.00 C ATOM 518 C HIS A 35 10.719 -7.474 -0.407 1.00 0.00 C ATOM 519 O HIS A 35 10.807 -8.525 0.229 1.00 0.00 O ATOM 520 CB HIS A 35 10.978 -7.104 -2.867 1.00 0.00 C ATOM 521 CG HIS A 35 11.739 -8.297 -3.359 1.00 0.00 C ATOM 522 ND1 HIS A 35 12.961 -8.675 -2.845 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.443 -9.200 -4.324 1.00 0.00 C ATOM 524 CE1 HIS A 35 13.386 -9.757 -3.473 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.482 -10.096 -4.375 1.00 0.00 N ATOM 0 H HIS A 35 9.163 -5.536 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 35 9.549 -8.408 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.435 -6.660 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.684 -6.354 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.555 -9.213 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.314 -10.276 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.546 -10.894 -5.007 1.00 0.00 H new ATOM 533 N LYS A 36 11.241 -6.328 0.016 1.00 0.00 N ATOM 534 CA LYS A 36 11.963 -6.235 1.280 1.00 0.00 C ATOM 535 C LYS A 36 11.329 -5.191 2.192 1.00 0.00 C ATOM 536 O LYS A 36 10.369 -4.521 1.811 1.00 0.00 O ATOM 537 CB LYS A 36 13.431 -5.885 1.028 1.00 0.00 C ATOM 538 CG LYS A 36 13.631 -4.513 0.406 1.00 0.00 C ATOM 539 CD LYS A 36 15.075 -4.054 0.521 1.00 0.00 C ATOM 540 CE LYS A 36 15.361 -3.452 1.888 1.00 0.00 C ATOM 541 NZ LYS A 36 16.487 -2.479 1.841 1.00 0.00 N ATOM 0 H LYS A 36 11.178 -5.449 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 36 11.908 -7.205 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.974 -5.929 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.868 -6.639 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.340 -4.543 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.979 -3.791 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.741 -4.899 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.287 -3.317 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.466 -2.954 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.599 -4.249 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.651 -2.091 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.348 -2.960 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.250 -1.705 1.188 1.00 0.00 H new ATOM 555 N GLU A 37 11.872 -5.056 3.398 1.00 0.00 N ATOM 556 CA GLU A 37 11.359 -4.092 4.364 1.00 0.00 C ATOM 557 C GLU A 37 12.397 -3.012 4.659 1.00 0.00 C ATOM 558 O GLU A 37 13.378 -3.254 5.361 1.00 0.00 O ATOM 559 CB GLU A 37 10.960 -4.799 5.661 1.00 0.00 C ATOM 560 CG GLU A 37 10.662 -3.846 6.806 1.00 0.00 C ATOM 561 CD GLU A 37 11.902 -3.483 7.600 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.868 -4.274 7.588 1.00 0.00 O ATOM 563 OE2 GLU A 37 11.907 -2.406 8.232 1.00 0.00 O ATOM 0 H GLU A 37 12.667 -5.602 3.729 1.00 0.00 H new ATOM 0 HA GLU A 37 10.478 -3.617 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.080 -5.415 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.763 -5.473 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.210 -2.937 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.929 -4.302 7.472 1.00 0.00 H new ATOM 570 N VAL A 38 12.172 -1.820 4.116 1.00 0.00 N ATOM 571 CA VAL A 38 13.086 -0.703 4.320 1.00 0.00 C ATOM 572 C VAL A 38 13.176 -0.329 5.796 1.00 0.00 C ATOM 573 O VAL A 38 14.232 -0.457 6.415 1.00 0.00 O ATOM 574 CB VAL A 38 12.648 0.535 3.515 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.669 1.654 3.658 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.443 0.173 2.052 1.00 0.00 C ATOM 0 H VAL A 38 11.365 -1.603 3.532 1.00 0.00 H new ATOM 0 HA VAL A 38 14.066 -1.028 3.969 1.00 0.00 H new ATOM 0 HB VAL A 38 11.698 0.890 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.343 2.520 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.761 1.930 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.636 1.314 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.134 1.059 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.376 -0.207 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.672 -0.593 1.971 1.00 0.00 H new ATOM 586 N ASP A 39 12.062 0.132 6.353 1.00 0.00 N ATOM 587 CA ASP A 39 12.014 0.522 7.757 1.00 0.00 C ATOM 588 C ASP A 39 10.768 -0.039 8.435 1.00 0.00 C ATOM 589 O ASP A 39 9.942 -0.693 7.798 1.00 0.00 O ATOM 590 CB ASP A 39 12.036 2.046 7.885 1.00 0.00 C ATOM 591 CG ASP A 39 13.010 2.694 6.921 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.161 2.218 6.829 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.620 3.677 6.257 1.00 0.00 O ATOM 0 H ASP A 39 11.180 0.245 5.854 1.00 0.00 H new ATOM 0 HA ASP A 39 12.892 0.110 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.035 2.437 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.304 2.318 8.906 1.00 0.00 H new ATOM 598 N LYS A 40 10.640 0.219 9.732 1.00 0.00 N ATOM 599 CA LYS A 40 9.495 -0.260 10.498 1.00 0.00 C ATOM 600 C LYS A 40 8.185 0.167 9.844 1.00 0.00 C ATOM 601 O LYS A 40 7.208 -0.580 9.845 1.00 0.00 O ATOM 602 CB LYS A 40 9.558 0.270 11.933 1.00 0.00 C ATOM 603 CG LYS A 40 10.368 -0.608 12.871 1.00 0.00 C ATOM 604 CD LYS A 40 11.831 -0.197 12.894 1.00 0.00 C ATOM 605 CE LYS A 40 12.037 1.085 13.687 1.00 0.00 C ATOM 606 NZ LYS A 40 12.272 0.813 15.132 1.00 0.00 N ATOM 0 H LYS A 40 11.315 0.757 10.275 1.00 0.00 H new ATOM 0 HA LYS A 40 9.532 -1.349 10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.989 1.271 11.923 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.544 0.364 12.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.955 -0.544 13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.286 -1.649 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.428 -0.997 13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.187 -0.056 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.886 1.632 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.162 1.725 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.408 1.712 15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.451 0.313 15.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.122 0.223 15.241 1.00 0.00 H new ATOM 620 N ASN A 41 8.174 1.373 9.285 1.00 0.00 N ATOM 621 CA ASN A 41 6.983 1.898 8.626 1.00 0.00 C ATOM 622 C ASN A 41 7.190 1.984 7.117 1.00 0.00 C ATOM 623 O ASN A 41 6.228 2.011 6.349 1.00 0.00 O ATOM 624 CB ASN A 41 6.635 3.280 9.183 1.00 0.00 C ATOM 625 CG ASN A 41 5.702 3.203 10.376 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.010 2.204 10.574 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.679 4.262 11.178 1.00 0.00 N ATOM 0 H ASN A 41 8.975 2.004 9.275 1.00 0.00 H new ATOM 0 HA ASN A 41 6.157 1.215 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.552 3.793 9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.170 3.878 8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.071 4.269 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.270 5.068 10.975 1.00 0.00 H new ATOM 634 N TRP A 42 8.450 2.025 6.699 1.00 0.00 N ATOM 635 CA TRP A 42 8.783 2.106 5.282 1.00 0.00 C ATOM 636 C TRP A 42 8.956 0.715 4.682 1.00 0.00 C ATOM 637 O TRP A 42 9.516 -0.180 5.317 1.00 0.00 O ATOM 638 CB TRP A 42 10.061 2.923 5.083 1.00 0.00 C ATOM 639 CG TRP A 42 9.905 4.368 5.449 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.234 4.953 6.639 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.378 5.410 4.621 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.944 6.295 6.600 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.419 6.601 5.372 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.878 5.454 3.316 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.977 7.819 4.861 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.440 6.663 2.811 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.493 7.832 3.582 1.00 0.00 C ATOM 0 H TRP A 42 9.258 2.003 7.321 1.00 0.00 H new ATOM 0 HA TRP A 42 7.959 2.602 4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.859 2.488 5.684 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.371 2.851 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.660 4.436 7.486 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.095 6.956 7.362 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.835 4.559 2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.015 8.721 5.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.050 6.708 1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.145 8.762 3.158 1.00 0.00 H new ATOM 658 N LEU A 43 8.474 0.539 3.457 1.00 0.00 N ATOM 659 CA LEU A 43 8.576 -0.744 2.771 1.00 0.00 C ATOM 660 C LEU A 43 9.037 -0.556 1.329 1.00 0.00 C ATOM 661 O LEU A 43 8.653 0.407 0.666 1.00 0.00 O ATOM 662 CB LEU A 43 7.229 -1.467 2.798 1.00 0.00 C ATOM 663 CG LEU A 43 6.498 -1.476 4.141 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.043 -1.877 3.954 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.191 -2.415 5.118 1.00 0.00 C ATOM 0 H LEU A 43 8.008 1.269 2.918 1.00 0.00 H new ATOM 0 HA LEU A 43 9.317 -1.349 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.577 -1.006 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.387 -2.499 2.486 1.00 0.00 H new ATOM 0 HG LEU A 43 6.525 -0.468 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.539 -1.878 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.552 -1.166 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.994 -2.875 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.658 -2.409 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.195 -3.426 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.217 -2.083 5.276 1.00 0.00 H new ATOM 677 N GLU A 44 9.861 -1.484 0.851 1.00 0.00 N ATOM 678 CA GLU A 44 10.372 -1.420 -0.513 1.00 0.00 C ATOM 679 C GLU A 44 9.535 -2.286 -1.449 1.00 0.00 C ATOM 680 O GLU A 44 9.044 -3.345 -1.060 1.00 0.00 O ATOM 681 CB GLU A 44 11.834 -1.870 -0.555 1.00 0.00 C ATOM 682 CG GLU A 44 12.585 -1.385 -1.783 1.00 0.00 C ATOM 683 CD GLU A 44 14.070 -1.213 -1.529 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.429 -0.449 -0.608 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.873 -1.842 -2.250 1.00 0.00 O ATOM 0 H GLU A 44 10.188 -2.287 1.387 1.00 0.00 H new ATOM 0 HA GLU A 44 10.308 -0.385 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.343 -1.507 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.871 -2.959 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.439 -2.095 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.164 -0.434 -2.110 1.00 0.00 H new ATOM 692 N GLY A 45 9.376 -1.828 -2.687 1.00 0.00 N ATOM 693 CA GLY A 45 8.597 -2.572 -3.660 1.00 0.00 C ATOM 694 C GLY A 45 8.813 -2.077 -5.076 1.00 0.00 C ATOM 695 O GLY A 45 9.122 -0.905 -5.290 1.00 0.00 O ATOM 0 H GLY A 45 9.773 -0.955 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.863 -3.628 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.539 -2.495 -3.409 1.00 0.00 H new ATOM 699 N GLU A 46 8.651 -2.972 -6.046 1.00 0.00 N ATOM 700 CA GLU A 46 8.833 -2.619 -7.449 1.00 0.00 C ATOM 701 C GLU A 46 7.599 -2.987 -8.267 1.00 0.00 C ATOM 702 O GLU A 46 7.017 -4.057 -8.086 1.00 0.00 O ATOM 703 CB GLU A 46 10.065 -3.324 -8.019 1.00 0.00 C ATOM 704 CG GLU A 46 9.906 -4.831 -8.133 1.00 0.00 C ATOM 705 CD GLU A 46 11.235 -5.561 -8.115 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.836 -5.725 -9.197 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.674 -5.968 -7.019 1.00 0.00 O ATOM 0 H GLU A 46 8.394 -3.946 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 46 8.980 -1.541 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.284 -2.915 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.924 -3.105 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.287 -5.190 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.378 -5.068 -9.057 1.00 0.00 H new ATOM 714 N HIS A 47 7.204 -2.092 -9.167 1.00 0.00 N ATOM 715 CA HIS A 47 6.038 -2.321 -10.013 1.00 0.00 C ATOM 716 C HIS A 47 6.354 -1.999 -11.471 1.00 0.00 C ATOM 717 O HIS A 47 6.996 -0.992 -11.770 1.00 0.00 O ATOM 718 CB HIS A 47 4.859 -1.474 -9.535 1.00 0.00 C ATOM 719 CG HIS A 47 3.539 -1.919 -10.085 1.00 0.00 C ATOM 720 ND1 HIS A 47 3.042 -3.193 -9.910 1.00 0.00 N ATOM 721 CD2 HIS A 47 2.612 -1.251 -10.810 1.00 0.00 C ATOM 722 CE1 HIS A 47 1.866 -3.290 -10.504 1.00 0.00 C ATOM 723 NE2 HIS A 47 1.582 -2.124 -11.058 1.00 0.00 N ATOM 0 H HIS A 47 7.674 -1.202 -9.329 1.00 0.00 H new ATOM 0 HA HIS A 47 5.769 -3.375 -9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.818 -1.505 -8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.030 -0.436 -9.819 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.671 -0.222 -11.133 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.243 -4.172 -10.532 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.735 -1.908 -11.584 1.00 0.00 H new ATOM 731 N HIS A 48 5.898 -2.861 -12.374 1.00 0.00 N ATOM 732 CA HIS A 48 6.132 -2.667 -13.801 1.00 0.00 C ATOM 733 C HIS A 48 6.083 -1.186 -14.164 1.00 0.00 C ATOM 734 O HIS A 48 6.829 -0.723 -15.025 1.00 0.00 O ATOM 735 CB HIS A 48 5.095 -3.439 -14.618 1.00 0.00 C ATOM 736 CG HIS A 48 5.224 -3.233 -16.096 1.00 0.00 C ATOM 737 ND1 HIS A 48 4.432 -2.355 -16.806 1.00 0.00 N ATOM 738 CD2 HIS A 48 6.060 -3.797 -16.999 1.00 0.00 C ATOM 739 CE1 HIS A 48 4.774 -2.389 -18.081 1.00 0.00 C ATOM 740 NE2 HIS A 48 5.761 -3.256 -18.225 1.00 0.00 N ATOM 0 H HIS A 48 5.365 -3.700 -12.144 1.00 0.00 H new ATOM 0 HA HIS A 48 7.126 -3.047 -14.036 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.189 -4.502 -14.398 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.097 -3.136 -14.303 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.821 -4.535 -16.793 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.324 -1.807 -18.872 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.225 -3.486 -19.104 1.00 0.00 H new ATOM 748 N GLY A 49 5.197 -0.448 -13.501 1.00 0.00 N ATOM 749 CA GLY A 49 5.067 0.972 -13.768 1.00 0.00 C ATOM 750 C GLY A 49 6.262 1.766 -13.280 1.00 0.00 C ATOM 751 O GLY A 49 7.020 2.315 -14.080 1.00 0.00 O ATOM 0 H GLY A 49 4.567 -0.809 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.945 1.127 -14.840 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.164 1.348 -13.287 1.00 0.00 H new ATOM 755 N ARG A 50 6.431 1.829 -11.963 1.00 0.00 N ATOM 756 CA ARG A 50 7.541 2.564 -11.369 1.00 0.00 C ATOM 757 C ARG A 50 8.265 1.711 -10.332 1.00 0.00 C ATOM 758 O ARG A 50 7.817 0.616 -9.991 1.00 0.00 O ATOM 759 CB ARG A 50 7.037 3.855 -10.722 1.00 0.00 C ATOM 760 CG ARG A 50 6.747 4.964 -11.720 1.00 0.00 C ATOM 761 CD ARG A 50 8.006 5.395 -12.456 1.00 0.00 C ATOM 762 NE ARG A 50 7.856 6.711 -13.071 1.00 0.00 N ATOM 763 CZ ARG A 50 8.731 7.224 -13.930 1.00 0.00 C ATOM 764 NH1 ARG A 50 9.811 6.535 -14.272 1.00 0.00 N ATOM 765 NH2 ARG A 50 8.525 8.428 -14.447 1.00 0.00 N ATOM 0 H ARG A 50 5.813 1.380 -11.287 1.00 0.00 H new ATOM 0 HA ARG A 50 8.245 2.814 -12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.129 3.639 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.780 4.207 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.003 4.622 -12.439 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.317 5.820 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.845 5.413 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.246 4.661 -13.225 1.00 0.00 H new ATOM 0 HE ARG A 50 7.036 7.266 -12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.972 5.609 -13.876 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.481 6.931 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.695 8.960 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.196 8.822 -15.106 1.00 0.00 H new ATOM 779 N LEU A 51 9.387 2.220 -9.834 1.00 0.00 N ATOM 780 CA LEU A 51 10.174 1.506 -8.835 1.00 0.00 C ATOM 781 C LEU A 51 10.745 2.469 -7.800 1.00 0.00 C ATOM 782 O LEU A 51 11.216 3.554 -8.140 1.00 0.00 O ATOM 783 CB LEU A 51 11.308 0.732 -9.509 1.00 0.00 C ATOM 784 CG LEU A 51 10.892 -0.485 -10.336 1.00 0.00 C ATOM 785 CD1 LEU A 51 10.348 -0.052 -11.688 1.00 0.00 C ATOM 786 CD2 LEU A 51 12.065 -1.438 -10.512 1.00 0.00 C ATOM 0 H LEU A 51 9.772 3.125 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 51 9.516 0.803 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.853 1.418 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.004 0.401 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 51 10.101 -1.010 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.057 -0.932 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.479 0.589 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.117 0.497 -12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.750 -2.298 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.878 -0.924 -11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.409 -1.776 -9.535 1.00 0.00 H new ATOM 798 N GLY A 52 10.703 2.064 -6.534 1.00 0.00 N ATOM 799 CA GLY A 52 11.222 2.903 -5.469 1.00 0.00 C ATOM 800 C GLY A 52 10.741 2.464 -4.100 1.00 0.00 C ATOM 801 O GLY A 52 10.374 1.305 -3.906 1.00 0.00 O ATOM 0 H GLY A 52 10.319 1.170 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.312 2.882 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.919 3.935 -5.643 1.00 0.00 H new ATOM 805 N ILE A 53 10.745 3.392 -3.149 1.00 0.00 N ATOM 806 CA ILE A 53 10.307 3.094 -1.791 1.00 0.00 C ATOM 807 C ILE A 53 8.987 3.789 -1.474 1.00 0.00 C ATOM 808 O ILE A 53 8.642 4.799 -2.088 1.00 0.00 O ATOM 809 CB ILE A 53 11.361 3.520 -0.753 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.688 5.007 -0.906 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.620 2.679 -0.900 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.538 5.559 0.217 1.00 0.00 C ATOM 0 H ILE A 53 11.046 4.356 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 53 10.169 2.014 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 53 10.953 3.357 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.207 5.161 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.757 5.572 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.355 2.992 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.375 1.628 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.032 2.813 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.730 6.618 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.013 5.437 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.485 5.020 0.255 1.00 0.00 H new ATOM 824 N PHE A 54 8.254 3.244 -0.509 1.00 0.00 N ATOM 825 CA PHE A 54 6.972 3.812 -0.109 1.00 0.00 C ATOM 826 C PHE A 54 6.609 3.389 1.311 1.00 0.00 C ATOM 827 O PHE A 54 7.058 2.358 1.812 1.00 0.00 O ATOM 828 CB PHE A 54 5.872 3.378 -1.080 1.00 0.00 C ATOM 829 CG PHE A 54 5.855 1.899 -1.344 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.777 1.324 -2.203 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.916 1.084 -0.732 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.763 -0.036 -2.447 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.897 -0.277 -0.972 1.00 0.00 C ATOM 834 CZ PHE A 54 5.822 -0.838 -1.830 1.00 0.00 C ATOM 0 H PHE A 54 8.526 2.409 0.011 1.00 0.00 H new ATOM 0 HA PHE A 54 7.061 4.898 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.904 3.678 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.003 3.906 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.515 1.946 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.190 1.517 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.487 -0.472 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.160 -0.901 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.810 -1.901 -2.018 1.00 0.00 H new ATOM 844 N PRO A 55 5.776 4.203 1.976 1.00 0.00 N ATOM 845 CA PRO A 55 5.333 3.934 3.347 1.00 0.00 C ATOM 846 C PRO A 55 4.388 2.741 3.428 1.00 0.00 C ATOM 847 O PRO A 55 3.885 2.265 2.410 1.00 0.00 O ATOM 848 CB PRO A 55 4.605 5.221 3.744 1.00 0.00 C ATOM 849 CG PRO A 55 4.153 5.813 2.454 1.00 0.00 C ATOM 850 CD PRO A 55 5.202 5.449 1.440 1.00 0.00 C ATOM 0 HA PRO A 55 6.167 3.680 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.761 5.012 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.267 5.901 4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.178 5.420 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.049 6.895 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.770 5.299 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.956 6.230 1.344 1.00 0.00 H new ATOM 858 N ALA A 56 4.149 2.262 4.644 1.00 0.00 N ATOM 859 CA ALA A 56 3.261 1.126 4.857 1.00 0.00 C ATOM 860 C ALA A 56 1.813 1.580 5.001 1.00 0.00 C ATOM 861 O ALA A 56 0.942 1.158 4.241 1.00 0.00 O ATOM 862 CB ALA A 56 3.695 0.341 6.087 1.00 0.00 C ATOM 0 H ALA A 56 4.558 2.643 5.497 1.00 0.00 H new ATOM 0 HA ALA A 56 3.325 0.477 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.023 -0.505 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.712 -0.024 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.661 0.989 6.963 1.00 0.00 H new ATOM 868 N ASN A 57 1.562 2.442 5.981 1.00 0.00 N ATOM 869 CA ASN A 57 0.218 2.952 6.225 1.00 0.00 C ATOM 870 C ASN A 57 -0.509 3.221 4.911 1.00 0.00 C ATOM 871 O ASN A 57 -1.684 2.887 4.759 1.00 0.00 O ATOM 872 CB ASN A 57 0.280 4.234 7.058 1.00 0.00 C ATOM 873 CG ASN A 57 0.974 5.366 6.326 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.171 5.298 6.047 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.223 6.415 6.011 1.00 0.00 N ATOM 0 H ASN A 57 2.272 2.802 6.619 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.336 2.194 6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.732 4.542 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.805 4.032 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.635 7.207 5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.765 6.428 6.262 1.00 0.00 H new ATOM 882 N TYR A 58 0.199 3.827 3.963 1.00 0.00 N ATOM 883 CA TYR A 58 -0.378 4.142 2.662 1.00 0.00 C ATOM 884 C TYR A 58 -1.093 2.930 2.075 1.00 0.00 C ATOM 885 O TYR A 58 -2.193 3.044 1.533 1.00 0.00 O ATOM 886 CB TYR A 58 0.710 4.622 1.701 1.00 0.00 C ATOM 887 CG TYR A 58 0.920 6.119 1.722 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.410 6.756 2.855 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.627 6.898 0.609 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.603 8.124 2.880 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.818 8.266 0.623 1.00 0.00 C ATOM 892 CZ TYR A 58 1.306 8.874 1.761 1.00 0.00 C ATOM 893 OH TYR A 58 1.496 10.237 1.780 1.00 0.00 O ATOM 0 H TYR A 58 1.173 4.109 4.072 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.108 4.939 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.649 4.128 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.450 4.314 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.644 6.171 3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.243 6.425 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.984 8.603 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.587 8.856 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 58 1.240 10.615 0.913 1.00 0.00 H new ATOM 903 N VAL A 59 -0.460 1.766 2.186 1.00 0.00 N ATOM 904 CA VAL A 59 -1.035 0.530 1.669 1.00 0.00 C ATOM 905 C VAL A 59 -1.264 -0.480 2.787 1.00 0.00 C ATOM 906 O VAL A 59 -0.376 -0.732 3.600 1.00 0.00 O ATOM 907 CB VAL A 59 -0.129 -0.104 0.596 1.00 0.00 C ATOM 908 CG1 VAL A 59 0.012 0.824 -0.601 1.00 0.00 C ATOM 909 CG2 VAL A 59 1.234 -0.442 1.183 1.00 0.00 C ATOM 0 H VAL A 59 0.452 1.653 2.630 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.993 0.791 1.218 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.592 -1.030 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.655 0.359 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.971 1.011 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.452 1.768 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.862 -0.889 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.707 0.468 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.111 -1.147 2.005 1.00 0.00 H new ATOM 919 N GLU A 60 -2.462 -1.056 2.820 1.00 0.00 N ATOM 920 CA GLU A 60 -2.807 -2.040 3.840 1.00 0.00 C ATOM 921 C GLU A 60 -3.144 -3.386 3.205 1.00 0.00 C ATOM 922 O GLU A 60 -4.024 -3.479 2.350 1.00 0.00 O ATOM 923 CB GLU A 60 -3.991 -1.547 4.675 1.00 0.00 C ATOM 924 CG GLU A 60 -4.361 -2.480 5.816 1.00 0.00 C ATOM 925 CD GLU A 60 -5.751 -2.213 6.360 1.00 0.00 C ATOM 926 OE1 GLU A 60 -6.097 -1.028 6.551 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.494 -3.190 6.594 1.00 0.00 O ATOM 0 H GLU A 60 -3.209 -0.859 2.154 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.942 -2.171 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.753 -0.564 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.856 -1.421 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.302 -3.512 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.633 -2.371 6.620 1.00 0.00 H new ATOM 934 N VAL A 61 -2.436 -4.428 3.631 1.00 0.00 N ATOM 935 CA VAL A 61 -2.659 -5.769 3.106 1.00 0.00 C ATOM 936 C VAL A 61 -4.115 -6.191 3.275 1.00 0.00 C ATOM 937 O VAL A 61 -4.564 -6.481 4.385 1.00 0.00 O ATOM 938 CB VAL A 61 -1.753 -6.802 3.801 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.050 -8.204 3.290 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.288 -6.450 3.594 1.00 0.00 C ATOM 0 H VAL A 61 -1.703 -4.368 4.338 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.414 -5.738 2.044 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.961 -6.780 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.400 -8.920 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.091 -8.453 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.872 -8.245 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.338 -7.191 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.063 -6.442 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.088 -5.464 4.014 1.00 0.00 H new ATOM 950 N LEU A 62 -4.848 -6.224 2.168 1.00 0.00 N ATOM 951 CA LEU A 62 -6.254 -6.611 2.193 1.00 0.00 C ATOM 952 C LEU A 62 -6.490 -7.743 3.187 1.00 0.00 C ATOM 953 O LEU A 62 -7.379 -7.663 4.034 1.00 0.00 O ATOM 954 CB LEU A 62 -6.710 -7.039 0.797 1.00 0.00 C ATOM 955 CG LEU A 62 -6.610 -5.977 -0.298 1.00 0.00 C ATOM 956 CD1 LEU A 62 -6.496 -6.629 -1.667 1.00 0.00 C ATOM 957 CD2 LEU A 62 -7.812 -5.045 -0.248 1.00 0.00 C ATOM 0 H LEU A 62 -4.492 -5.987 1.242 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.838 -5.747 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.119 -7.902 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.747 -7.369 0.861 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.710 -5.387 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.426 -5.857 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.604 -7.254 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.377 -7.244 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.724 -4.295 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.725 -5.621 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.849 -4.550 0.722 1.00 0.00 H new ATOM 969 N SER A 63 -5.686 -8.796 3.079 1.00 0.00 N ATOM 970 CA SER A 63 -5.808 -9.945 3.968 1.00 0.00 C ATOM 971 C SER A 63 -5.737 -9.512 5.429 1.00 0.00 C ATOM 972 O SER A 63 -5.108 -8.508 5.761 1.00 0.00 O ATOM 973 CB SER A 63 -4.706 -10.964 3.672 1.00 0.00 C ATOM 974 OG SER A 63 -5.085 -11.835 2.620 1.00 0.00 O ATOM 0 H SER A 63 -4.943 -8.877 2.385 1.00 0.00 H new ATOM 0 HA SER A 63 -6.779 -10.408 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.787 -10.443 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.493 -11.544 4.570 1.00 0.00 H new ATOM 0 HG SER A 63 -4.363 -12.475 2.449 1.00 0.00 H new ATOM 980 N GLY A 64 -6.387 -10.279 6.299 1.00 0.00 N ATOM 981 CA GLY A 64 -6.386 -9.959 7.715 1.00 0.00 C ATOM 982 C GLY A 64 -5.342 -10.742 8.485 1.00 0.00 C ATOM 983 O GLY A 64 -4.346 -11.204 7.928 1.00 0.00 O ATOM 0 H GLY A 64 -6.914 -11.116 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.203 -8.892 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.372 -10.166 8.132 1.00 0.00 H new ATOM 987 N PRO A 65 -5.564 -10.898 9.799 1.00 0.00 N ATOM 988 CA PRO A 65 -4.644 -11.629 10.675 1.00 0.00 C ATOM 989 C PRO A 65 -4.646 -13.129 10.397 1.00 0.00 C ATOM 990 O PRO A 65 -5.400 -13.883 11.011 1.00 0.00 O ATOM 991 CB PRO A 65 -5.189 -11.345 12.077 1.00 0.00 C ATOM 992 CG PRO A 65 -6.634 -11.050 11.869 1.00 0.00 C ATOM 993 CD PRO A 65 -6.730 -10.374 10.529 1.00 0.00 C ATOM 0 HA PRO A 65 -3.610 -11.315 10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.051 -12.202 12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.675 -10.502 12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.226 -11.965 11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.018 -10.406 12.660 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.664 -10.617 10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.691 -9.289 10.623 1.00 0.00 H new ATOM 1001 N SER A 66 -3.797 -13.554 9.467 1.00 0.00 N ATOM 1002 CA SER A 66 -3.703 -14.963 9.104 1.00 0.00 C ATOM 1003 C SER A 66 -2.266 -15.461 9.222 1.00 0.00 C ATOM 1004 O SER A 66 -1.329 -14.797 8.778 1.00 0.00 O ATOM 1005 CB SER A 66 -4.215 -15.180 7.679 1.00 0.00 C ATOM 1006 OG SER A 66 -3.591 -14.288 6.772 1.00 0.00 O ATOM 0 H SER A 66 -3.164 -12.943 8.951 1.00 0.00 H new ATOM 0 HA SER A 66 -4.324 -15.532 9.796 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.023 -16.208 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.295 -15.035 7.651 1.00 0.00 H new ATOM 0 HG SER A 66 -3.934 -14.448 5.868 1.00 0.00 H new ATOM 1012 N SER A 67 -2.100 -16.634 9.825 1.00 0.00 N ATOM 1013 CA SER A 67 -0.777 -17.219 10.006 1.00 0.00 C ATOM 1014 C SER A 67 -0.064 -17.377 8.666 1.00 0.00 C ATOM 1015 O SER A 67 1.020 -16.834 8.459 1.00 0.00 O ATOM 1016 CB SER A 67 -0.888 -18.578 10.700 1.00 0.00 C ATOM 1017 OG SER A 67 -1.011 -18.425 12.103 1.00 0.00 O ATOM 0 H SER A 67 -2.865 -17.197 10.196 1.00 0.00 H new ATOM 0 HA SER A 67 -0.192 -16.545 10.632 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.752 -19.118 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.008 -19.179 10.472 1.00 0.00 H new ATOM 0 HG SER A 67 -1.082 -19.307 12.523 1.00 0.00 H new ATOM 1023 N GLY A 68 -0.684 -18.125 7.758 1.00 0.00 N ATOM 1024 CA GLY A 68 -0.096 -18.342 6.449 1.00 0.00 C ATOM 1025 C GLY A 68 1.048 -19.336 6.484 1.00 0.00 C ATOM 1026 O GLY A 68 0.842 -20.519 6.753 1.00 0.00 O ATOM 0 H GLY A 68 -1.583 -18.584 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.864 -18.701 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.264 -17.392 6.054 1.00 0.00 H new TER 1030 GLY A 68