USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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 20:sc= 0.669 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0265 F(o=-1.2,f=-0.027) USER MOD Single : A 22 ASN : amide:sc=-0.00113 K(o=-0.0011,f=-0.93) USER MOD Single : A 25 SER OG : rot 180:sc= 0.106 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.6) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0739 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00967 USER MOD Single : A 57 ASN : amide:sc= -0.233 X(o=-0.23,f=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 2.108 7.805 -18.114 1.00 0.00 N ATOM 2 CA GLY A 1 1.303 9.015 -18.104 1.00 0.00 C ATOM 3 C GLY A 1 0.387 9.054 -16.880 1.00 0.00 C ATOM 4 O GLY A 1 0.858 9.186 -15.751 1.00 0.00 O ATOM 0 H1 GLY A 1 2.721 7.803 -18.954 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.696 7.772 -17.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.484 6.973 -18.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.954 9.889 -18.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.704 9.065 -19.013 1.00 0.00 H new ATOM 8 N SER A 2 -0.906 8.937 -17.144 1.00 0.00 N ATOM 9 CA SER A 2 -1.893 8.957 -16.077 1.00 0.00 C ATOM 10 C SER A 2 -1.886 10.322 -15.385 1.00 0.00 C ATOM 11 O SER A 2 -0.862 11.002 -15.355 1.00 0.00 O ATOM 12 CB SER A 2 -1.628 7.845 -15.061 1.00 0.00 C ATOM 13 OG SER A 2 -2.456 6.707 -15.287 1.00 0.00 O ATOM 0 H SER A 2 -1.293 8.828 -18.081 1.00 0.00 H new ATOM 0 HA SER A 2 -2.876 8.784 -16.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.581 7.548 -15.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.801 8.225 -14.054 1.00 0.00 H new ATOM 0 HG SER A 2 -2.255 6.019 -14.619 1.00 0.00 H new ATOM 19 N SER A 3 -3.042 10.681 -14.845 1.00 0.00 N ATOM 20 CA SER A 3 -3.182 11.952 -14.154 1.00 0.00 C ATOM 21 C SER A 3 -3.480 11.712 -12.673 1.00 0.00 C ATOM 22 O SER A 3 -4.114 10.721 -12.316 1.00 0.00 O ATOM 23 CB SER A 3 -4.285 12.803 -14.786 1.00 0.00 C ATOM 24 OG SER A 3 -3.880 14.158 -14.960 1.00 0.00 O ATOM 0 H SER A 3 -3.890 10.114 -14.872 1.00 0.00 H new ATOM 0 HA SER A 3 -2.242 12.497 -14.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.561 12.380 -15.752 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.175 12.768 -14.157 1.00 0.00 H new ATOM 0 HG SER A 3 -4.611 14.668 -15.368 1.00 0.00 H new ATOM 30 N GLY A 4 -3.008 12.637 -11.850 1.00 0.00 N ATOM 31 CA GLY A 4 -3.215 12.539 -10.415 1.00 0.00 C ATOM 32 C GLY A 4 -2.281 11.498 -9.796 1.00 0.00 C ATOM 33 O GLY A 4 -2.535 10.298 -9.888 1.00 0.00 O ATOM 0 H GLY A 4 -2.483 13.458 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.041 13.510 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.251 12.270 -10.211 1.00 0.00 H new ATOM 37 N SER A 5 -1.219 11.995 -9.178 1.00 0.00 N ATOM 38 CA SER A 5 -0.246 11.122 -8.544 1.00 0.00 C ATOM 39 C SER A 5 -0.734 10.719 -7.151 1.00 0.00 C ATOM 40 O SER A 5 -0.865 11.565 -6.267 1.00 0.00 O ATOM 41 CB SER A 5 1.123 11.799 -8.452 1.00 0.00 C ATOM 42 OG SER A 5 2.173 10.944 -8.894 1.00 0.00 O ATOM 0 H SER A 5 -1.011 12.991 -9.103 1.00 0.00 H new ATOM 0 HA SER A 5 -0.138 10.227 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.119 12.708 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.310 12.099 -7.421 1.00 0.00 H new ATOM 0 HG SER A 5 3.030 11.414 -8.821 1.00 0.00 H new ATOM 48 N SER A 6 -0.989 9.428 -6.999 1.00 0.00 N ATOM 49 CA SER A 6 -1.460 8.903 -5.728 1.00 0.00 C ATOM 50 C SER A 6 -0.837 7.530 -5.467 1.00 0.00 C ATOM 51 O SER A 6 -1.066 6.587 -6.222 1.00 0.00 O ATOM 52 CB SER A 6 -2.987 8.807 -5.704 1.00 0.00 C ATOM 53 OG SER A 6 -3.469 7.762 -6.544 1.00 0.00 O ATOM 0 H SER A 6 -0.879 8.730 -7.734 1.00 0.00 H new ATOM 0 HA SER A 6 -1.154 9.590 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.323 8.635 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.415 9.757 -6.025 1.00 0.00 H new ATOM 0 HG SER A 6 -2.746 7.125 -6.721 1.00 0.00 H new ATOM 59 N GLY A 7 -0.062 7.462 -4.394 1.00 0.00 N ATOM 60 CA GLY A 7 0.596 6.221 -4.024 1.00 0.00 C ATOM 61 C GLY A 7 1.048 6.255 -2.563 1.00 0.00 C ATOM 62 O GLY A 7 2.118 6.777 -2.252 1.00 0.00 O ATOM 0 H GLY A 7 0.125 8.246 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.085 5.384 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.457 6.055 -4.671 1.00 0.00 H new ATOM 66 N LYS A 8 0.211 5.691 -1.704 1.00 0.00 N ATOM 67 CA LYS A 8 0.512 5.650 -0.283 1.00 0.00 C ATOM 68 C LYS A 8 1.042 4.263 0.082 1.00 0.00 C ATOM 69 O LYS A 8 0.966 3.334 -0.721 1.00 0.00 O ATOM 70 CB LYS A 8 -0.708 6.078 0.535 1.00 0.00 C ATOM 71 CG LYS A 8 -1.823 5.034 0.443 1.00 0.00 C ATOM 72 CD LYS A 8 -3.161 5.690 0.093 1.00 0.00 C ATOM 73 CE LYS A 8 -4.255 4.637 -0.093 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.078 4.950 -1.283 1.00 0.00 N ATOM 0 H LYS A 8 -0.675 5.259 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 8 1.297 6.365 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.421 6.218 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.074 7.039 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.569 4.291 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.910 4.505 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.449 6.383 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.055 6.275 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.804 3.651 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.887 4.600 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.816 4.226 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.523 5.882 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.474 4.962 -2.129 1.00 0.00 H new ATOM 88 N TYR A 9 1.567 4.165 1.295 1.00 0.00 N ATOM 89 CA TYR A 9 2.110 2.906 1.776 1.00 0.00 C ATOM 90 C TYR A 9 1.730 2.669 3.239 1.00 0.00 C ATOM 91 O TYR A 9 1.107 3.523 3.869 1.00 0.00 O ATOM 92 CB TYR A 9 3.631 3.034 1.670 1.00 0.00 C ATOM 93 CG TYR A 9 4.131 3.365 0.263 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.095 4.667 -0.194 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.617 2.362 -0.550 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.566 4.979 -1.518 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.088 2.673 -1.875 1.00 0.00 C ATOM 98 CZ TYR A 9 5.039 3.966 -2.294 1.00 0.00 C ATOM 99 OH TYR A 9 5.484 4.260 -3.545 1.00 0.00 O ATOM 0 H TYR A 9 1.628 4.937 1.959 1.00 0.00 H new ATOM 0 HA TYR A 9 1.720 2.072 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.969 3.810 2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.088 2.100 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.713 5.452 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.644 1.343 -0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.544 5.994 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.471 1.897 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 9 5.793 3.440 -3.983 1.00 0.00 H new ATOM 109 N VAL A 10 2.123 1.506 3.738 1.00 0.00 N ATOM 110 CA VAL A 10 1.832 1.146 5.116 1.00 0.00 C ATOM 111 C VAL A 10 3.078 0.526 5.750 1.00 0.00 C ATOM 112 O VAL A 10 3.812 -0.211 5.094 1.00 0.00 O ATOM 113 CB VAL A 10 0.611 0.225 5.169 1.00 0.00 C ATOM 114 CG1 VAL A 10 0.944 -1.159 4.606 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.065 0.120 6.594 1.00 0.00 C ATOM 0 H VAL A 10 2.640 0.801 3.213 1.00 0.00 H new ATOM 0 HA VAL A 10 1.579 2.032 5.698 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.167 0.663 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.060 -1.794 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.264 -1.062 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.746 -1.607 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.802 -0.540 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.836 -0.284 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.228 1.109 6.945 1.00 0.00 H new ATOM 125 N LYS A 11 3.278 0.846 7.020 1.00 0.00 N ATOM 126 CA LYS A 11 4.423 0.330 7.751 1.00 0.00 C ATOM 127 C LYS A 11 3.976 -0.843 8.626 1.00 0.00 C ATOM 128 O LYS A 11 3.055 -0.707 9.430 1.00 0.00 O ATOM 129 CB LYS A 11 5.112 1.451 8.531 1.00 0.00 C ATOM 130 CG LYS A 11 6.510 1.026 8.983 1.00 0.00 C ATOM 131 CD LYS A 11 6.835 1.592 10.367 1.00 0.00 C ATOM 132 CE LYS A 11 8.017 0.854 10.998 1.00 0.00 C ATOM 133 NZ LYS A 11 8.673 1.703 12.017 1.00 0.00 N ATOM 0 H LYS A 11 2.666 1.456 7.562 1.00 0.00 H new ATOM 0 HA LYS A 11 5.174 -0.053 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.183 2.342 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.510 1.717 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.573 -0.062 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.250 1.372 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.067 2.654 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.961 1.506 11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.672 -0.073 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.736 0.580 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.473 1.187 12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.019 2.576 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.988 1.943 12.762 1.00 0.00 H new ATOM 147 N ILE A 12 4.650 -1.969 8.441 1.00 0.00 N ATOM 148 CA ILE A 12 4.335 -3.165 9.203 1.00 0.00 C ATOM 149 C ILE A 12 4.821 -2.989 10.643 1.00 0.00 C ATOM 150 O ILE A 12 5.979 -2.642 10.873 1.00 0.00 O ATOM 151 CB ILE A 12 4.899 -4.406 8.511 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.524 -4.426 7.028 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.460 -5.683 9.230 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.031 -4.708 6.844 1.00 0.00 C ATOM 0 H ILE A 12 5.414 -2.078 7.774 1.00 0.00 H new ATOM 0 HA ILE A 12 3.256 -3.316 9.246 1.00 0.00 H new ATOM 0 HB ILE A 12 5.987 -4.363 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.776 -3.468 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.108 -5.188 6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.875 -6.550 8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.820 -5.663 10.259 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.372 -5.746 9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.791 -4.717 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.787 -5.677 7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.450 -3.931 7.341 1.00 0.00 H new ATOM 166 N LEU A 13 3.913 -3.237 11.575 1.00 0.00 N ATOM 167 CA LEU A 13 4.235 -3.111 12.987 1.00 0.00 C ATOM 168 C LEU A 13 4.714 -4.463 13.519 1.00 0.00 C ATOM 169 O LEU A 13 5.510 -4.518 14.456 1.00 0.00 O ATOM 170 CB LEU A 13 3.046 -2.533 13.758 1.00 0.00 C ATOM 171 CG LEU A 13 2.486 -1.209 13.234 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.210 -0.819 13.981 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.544 -0.105 13.292 1.00 0.00 C ATOM 0 H LEU A 13 2.954 -3.525 11.380 1.00 0.00 H new ATOM 0 HA LEU A 13 5.052 -2.404 13.130 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.243 -3.271 13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.346 -2.392 14.796 1.00 0.00 H new ATOM 0 HG LEU A 13 2.217 -1.343 12.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.833 0.126 13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.457 -1.595 13.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.429 -0.709 15.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.120 0.825 12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.867 0.036 14.324 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.400 -0.389 12.680 1.00 0.00 H new ATOM 185 N TYR A 14 4.211 -5.519 12.898 1.00 0.00 N ATOM 186 CA TYR A 14 4.578 -6.867 13.298 1.00 0.00 C ATOM 187 C TYR A 14 4.928 -7.724 12.080 1.00 0.00 C ATOM 188 O TYR A 14 4.302 -7.600 11.028 1.00 0.00 O ATOM 189 CB TYR A 14 3.343 -7.456 13.982 1.00 0.00 C ATOM 190 CG TYR A 14 2.924 -6.716 15.254 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.599 -6.940 16.437 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.871 -5.824 15.219 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.205 -6.243 17.634 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.477 -5.128 16.416 1.00 0.00 C ATOM 195 CZ TYR A 14 2.164 -5.372 17.564 1.00 0.00 C ATOM 196 OH TYR A 14 1.792 -4.714 18.695 1.00 0.00 O ATOM 0 H TYR A 14 3.552 -5.469 12.121 1.00 0.00 H new ATOM 0 HA TYR A 14 5.449 -6.849 13.953 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.511 -7.447 13.278 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.540 -8.499 14.229 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.423 -7.638 16.465 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.343 -5.648 14.294 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.725 -6.409 18.566 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.655 -4.428 16.403 1.00 0.00 H new ATOM 0 HH TYR A 14 1.035 -4.124 18.496 1.00 0.00 H new ATOM 206 N ASP A 15 5.928 -8.574 12.262 1.00 0.00 N ATOM 207 CA ASP A 15 6.369 -9.451 11.190 1.00 0.00 C ATOM 208 C ASP A 15 5.330 -10.554 10.980 1.00 0.00 C ATOM 209 O ASP A 15 5.112 -11.383 11.861 1.00 0.00 O ATOM 210 CB ASP A 15 7.702 -10.117 11.538 1.00 0.00 C ATOM 211 CG ASP A 15 7.848 -10.550 12.998 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.202 -11.557 13.359 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.602 -9.863 13.721 1.00 0.00 O ATOM 0 H ASP A 15 6.445 -8.674 13.135 1.00 0.00 H new ATOM 0 HA ASP A 15 6.490 -8.849 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.831 -10.992 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.510 -9.426 11.297 1.00 0.00 H new ATOM 218 N PHE A 16 4.716 -10.528 9.806 1.00 0.00 N ATOM 219 CA PHE A 16 3.705 -11.515 9.468 1.00 0.00 C ATOM 220 C PHE A 16 4.193 -12.440 8.351 1.00 0.00 C ATOM 221 O PHE A 16 4.963 -12.023 7.487 1.00 0.00 O ATOM 222 CB PHE A 16 2.476 -10.747 8.977 1.00 0.00 C ATOM 223 CG PHE A 16 1.245 -11.626 8.745 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.597 -12.181 9.803 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.800 -11.851 7.480 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.546 -12.996 9.587 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.343 -12.666 7.264 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.991 -13.222 8.322 1.00 0.00 C ATOM 0 H PHE A 16 4.899 -9.839 9.077 1.00 0.00 H new ATOM 0 HA PHE A 16 3.480 -12.129 10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.227 -9.976 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.726 -10.237 8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.951 -12.002 10.808 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.316 -11.410 6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.062 -13.436 10.428 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.697 -12.844 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.859 -13.843 8.158 1.00 0.00 H new ATOM 238 N THR A 17 3.725 -13.678 8.404 1.00 0.00 N ATOM 239 CA THR A 17 4.104 -14.665 7.408 1.00 0.00 C ATOM 240 C THR A 17 2.860 -15.252 6.738 1.00 0.00 C ATOM 241 O THR A 17 2.054 -15.914 7.389 1.00 0.00 O ATOM 242 CB THR A 17 4.978 -15.718 8.094 1.00 0.00 C ATOM 243 OG1 THR A 17 6.211 -15.043 8.332 1.00 0.00 O ATOM 244 CG2 THR A 17 5.357 -16.866 7.156 1.00 0.00 C ATOM 0 H THR A 17 3.086 -14.020 9.122 1.00 0.00 H new ATOM 0 HA THR A 17 4.685 -14.212 6.604 1.00 0.00 H new ATOM 0 HB THR A 17 4.452 -16.117 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.837 -15.652 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.977 -17.585 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.452 -17.360 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.912 -16.472 6.305 1.00 0.00 H new ATOM 252 N ALA A 18 2.743 -14.986 5.445 1.00 0.00 N ATOM 253 CA ALA A 18 1.611 -15.479 4.679 1.00 0.00 C ATOM 254 C ALA A 18 1.291 -16.911 5.114 1.00 0.00 C ATOM 255 O ALA A 18 2.098 -17.818 4.917 1.00 0.00 O ATOM 256 CB ALA A 18 1.923 -15.380 3.185 1.00 0.00 C ATOM 0 H ALA A 18 3.414 -14.435 4.909 1.00 0.00 H new ATOM 0 HA ALA A 18 0.726 -14.871 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.074 -15.750 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.114 -14.340 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.804 -15.980 2.957 1.00 0.00 H new ATOM 262 N ARG A 19 0.113 -17.068 5.699 1.00 0.00 N ATOM 263 CA ARG A 19 -0.324 -18.374 6.164 1.00 0.00 C ATOM 264 C ARG A 19 -1.079 -19.107 5.053 1.00 0.00 C ATOM 265 O ARG A 19 -1.296 -20.315 5.138 1.00 0.00 O ATOM 266 CB ARG A 19 -1.230 -18.248 7.390 1.00 0.00 C ATOM 267 CG ARG A 19 -0.545 -17.443 8.497 1.00 0.00 C ATOM 268 CD ARG A 19 0.617 -18.229 9.107 1.00 0.00 C ATOM 269 NE ARG A 19 0.102 -19.235 10.062 1.00 0.00 N ATOM 270 CZ ARG A 19 -0.223 -20.491 9.728 1.00 0.00 C ATOM 271 NH1 ARG A 19 -0.088 -20.903 8.460 1.00 0.00 N ATOM 272 NH2 ARG A 19 -0.682 -21.335 10.662 1.00 0.00 N ATOM 0 H ARG A 19 -0.553 -16.313 5.862 1.00 0.00 H new ATOM 0 HA ARG A 19 0.564 -18.942 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.165 -17.763 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.485 -19.240 7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.178 -16.500 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.269 -17.196 9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.187 -18.722 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.300 -17.548 9.616 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.013 -18.955 11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.262 -20.260 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.335 -21.859 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.784 -21.021 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.930 -22.291 10.408 1.00 0.00 H new ATOM 286 N ASN A 20 -1.459 -18.346 4.037 1.00 0.00 N ATOM 287 CA ASN A 20 -2.185 -18.909 2.912 1.00 0.00 C ATOM 288 C ASN A 20 -1.719 -18.233 1.620 1.00 0.00 C ATOM 289 O ASN A 20 -0.815 -17.399 1.643 1.00 0.00 O ATOM 290 CB ASN A 20 -3.690 -18.671 3.053 1.00 0.00 C ATOM 291 CG ASN A 20 -4.394 -19.916 3.595 1.00 0.00 C ATOM 292 OD1 ASN A 20 -4.024 -20.254 4.827 1.00 0.00 O flip ATOM 293 ND2 ASN A 20 -5.218 -20.530 2.938 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.278 -17.345 3.970 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.990 -19.981 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.867 -17.829 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.112 -18.403 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.457 -20.216 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.669 -21.357 3.329 1.00 0.00 H new ATOM 300 N ALA A 21 -2.357 -18.619 0.525 1.00 0.00 N ATOM 301 CA ALA A 21 -2.018 -18.061 -0.773 1.00 0.00 C ATOM 302 C ALA A 21 -2.508 -16.614 -0.845 1.00 0.00 C ATOM 303 O ALA A 21 -1.888 -15.776 -1.498 1.00 0.00 O ATOM 304 CB ALA A 21 -2.618 -18.935 -1.877 1.00 0.00 C ATOM 0 H ALA A 21 -3.106 -19.311 0.510 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.937 -18.051 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.364 -18.517 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.216 -19.945 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.702 -18.966 -1.767 1.00 0.00 H new ATOM 310 N ASN A 22 -3.618 -16.364 -0.165 1.00 0.00 N ATOM 311 CA ASN A 22 -4.198 -15.032 -0.144 1.00 0.00 C ATOM 312 C ASN A 22 -3.609 -14.242 1.027 1.00 0.00 C ATOM 313 O ASN A 22 -4.331 -13.541 1.734 1.00 0.00 O ATOM 314 CB ASN A 22 -5.715 -15.095 0.045 1.00 0.00 C ATOM 315 CG ASN A 22 -6.421 -15.380 -1.282 1.00 0.00 C ATOM 316 OD1 ASN A 22 -5.820 -15.803 -2.256 1.00 0.00 O ATOM 317 ND2 ASN A 22 -7.726 -15.126 -1.266 1.00 0.00 N ATOM 0 H ASN A 22 -4.131 -17.061 0.375 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.972 -14.551 -1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.963 -15.873 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.073 -14.151 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.287 -15.284 -2.103 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.166 -14.773 -0.416 1.00 0.00 H new ATOM 324 N GLU A 23 -2.302 -14.383 1.196 1.00 0.00 N ATOM 325 CA GLU A 23 -1.608 -13.691 2.269 1.00 0.00 C ATOM 326 C GLU A 23 -0.202 -13.287 1.818 1.00 0.00 C ATOM 327 O GLU A 23 0.390 -13.942 0.961 1.00 0.00 O ATOM 328 CB GLU A 23 -1.551 -14.554 3.531 1.00 0.00 C ATOM 329 CG GLU A 23 -2.952 -15.009 3.947 1.00 0.00 C ATOM 330 CD GLU A 23 -2.989 -15.382 5.430 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.202 -14.775 6.188 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.804 -16.266 5.773 1.00 0.00 O ATOM 0 H GLU A 23 -1.706 -14.966 0.608 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.165 -12.786 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.920 -15.425 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.092 -13.989 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.670 -14.213 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.254 -15.866 3.345 1.00 0.00 H new ATOM 339 N LEU A 24 0.290 -12.212 2.414 1.00 0.00 N ATOM 340 CA LEU A 24 1.614 -11.713 2.085 1.00 0.00 C ATOM 341 C LEU A 24 2.504 -11.782 3.327 1.00 0.00 C ATOM 342 O LEU A 24 2.043 -11.536 4.440 1.00 0.00 O ATOM 343 CB LEU A 24 1.522 -10.314 1.471 1.00 0.00 C ATOM 344 CG LEU A 24 2.683 -9.902 0.564 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.481 -10.429 -0.858 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.889 -8.386 0.590 1.00 0.00 C ATOM 0 H LEU A 24 -0.205 -11.672 3.124 1.00 0.00 H new ATOM 0 HA LEU A 24 2.079 -12.340 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.598 -10.251 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.444 -9.588 2.280 1.00 0.00 H new ATOM 0 HG LEU A 24 3.595 -10.357 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.320 -10.122 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.423 -11.517 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.556 -10.024 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.720 -8.121 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.982 -7.890 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.111 -8.066 1.608 1.00 0.00 H new ATOM 358 N SER A 25 3.764 -12.119 3.095 1.00 0.00 N ATOM 359 CA SER A 25 4.724 -12.224 4.181 1.00 0.00 C ATOM 360 C SER A 25 5.532 -10.930 4.293 1.00 0.00 C ATOM 361 O SER A 25 6.228 -10.546 3.354 1.00 0.00 O ATOM 362 CB SER A 25 5.659 -13.418 3.977 1.00 0.00 C ATOM 363 OG SER A 25 4.996 -14.515 3.354 1.00 0.00 O ATOM 0 H SER A 25 4.143 -12.323 2.170 1.00 0.00 H new ATOM 0 HA SER A 25 4.174 -12.382 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.508 -13.113 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.058 -13.735 4.941 1.00 0.00 H new ATOM 0 HG SER A 25 5.627 -15.256 3.240 1.00 0.00 H new ATOM 369 N VAL A 26 5.412 -10.293 5.448 1.00 0.00 N ATOM 370 CA VAL A 26 6.122 -9.050 5.695 1.00 0.00 C ATOM 371 C VAL A 26 6.775 -9.106 7.077 1.00 0.00 C ATOM 372 O VAL A 26 6.245 -9.734 7.993 1.00 0.00 O ATOM 373 CB VAL A 26 5.172 -7.862 5.530 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.725 -7.716 4.074 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.967 -7.991 6.464 1.00 0.00 C ATOM 0 H VAL A 26 4.833 -10.615 6.224 1.00 0.00 H new ATOM 0 HA VAL A 26 6.919 -8.915 4.964 1.00 0.00 H new ATOM 0 HB VAL A 26 5.714 -6.958 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.051 -6.864 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.597 -7.557 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.208 -8.623 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.307 -7.134 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.424 -8.908 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.310 -8.023 7.498 1.00 0.00 H new ATOM 385 N LEU A 27 7.915 -8.440 7.186 1.00 0.00 N ATOM 386 CA LEU A 27 8.646 -8.407 8.442 1.00 0.00 C ATOM 387 C LEU A 27 8.258 -7.146 9.218 1.00 0.00 C ATOM 388 O LEU A 27 7.458 -6.342 8.744 1.00 0.00 O ATOM 389 CB LEU A 27 10.149 -8.536 8.191 1.00 0.00 C ATOM 390 CG LEU A 27 10.712 -9.959 8.210 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.804 -10.919 7.440 1.00 0.00 C ATOM 392 CD2 LEU A 27 12.150 -9.987 7.687 1.00 0.00 C ATOM 0 H LEU A 27 8.351 -7.919 6.425 1.00 0.00 H new ATOM 0 HA LEU A 27 8.376 -9.261 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.375 -8.090 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.675 -7.948 8.943 1.00 0.00 H new ATOM 0 HG LEU A 27 10.738 -10.301 9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.228 -11.923 7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.814 -10.929 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.722 -10.590 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.526 -11.010 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.172 -9.616 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.778 -9.355 8.315 1.00 0.00 H new ATOM 404 N LYS A 28 8.845 -7.014 10.399 1.00 0.00 N ATOM 405 CA LYS A 28 8.571 -5.865 11.246 1.00 0.00 C ATOM 406 C LYS A 28 9.431 -4.685 10.790 1.00 0.00 C ATOM 407 O LYS A 28 10.609 -4.853 10.481 1.00 0.00 O ATOM 408 CB LYS A 28 8.758 -6.230 12.720 1.00 0.00 C ATOM 409 CG LYS A 28 8.625 -4.993 13.611 1.00 0.00 C ATOM 410 CD LYS A 28 9.691 -4.993 14.710 1.00 0.00 C ATOM 411 CE LYS A 28 10.540 -3.721 14.649 1.00 0.00 C ATOM 412 NZ LYS A 28 11.518 -3.698 15.759 1.00 0.00 N ATOM 0 H LYS A 28 9.509 -7.683 10.789 1.00 0.00 H new ATOM 0 HA LYS A 28 7.530 -5.558 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.017 -6.974 13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.739 -6.683 12.865 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.722 -4.092 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.633 -4.970 14.061 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.212 -5.069 15.686 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.332 -5.868 14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.063 -3.671 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.896 -2.844 14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.086 -2.829 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.013 -3.724 16.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.144 -4.526 15.688 1.00 0.00 H new ATOM 426 N ASP A 29 8.807 -3.516 10.763 1.00 0.00 N ATOM 427 CA ASP A 29 9.501 -2.308 10.350 1.00 0.00 C ATOM 428 C ASP A 29 9.628 -2.293 8.825 1.00 0.00 C ATOM 429 O ASP A 29 10.526 -1.653 8.280 1.00 0.00 O ATOM 430 CB ASP A 29 10.910 -2.252 10.943 1.00 0.00 C ATOM 431 CG ASP A 29 11.508 -0.848 11.058 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.628 -0.194 10.000 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.831 -0.461 12.202 1.00 0.00 O ATOM 0 H ASP A 29 7.829 -3.380 11.020 1.00 0.00 H new ATOM 0 HA ASP A 29 8.927 -1.452 10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.889 -2.704 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.571 -2.863 10.328 1.00 0.00 H new ATOM 438 N GLU A 30 8.717 -3.007 8.180 1.00 0.00 N ATOM 439 CA GLU A 30 8.716 -3.084 6.730 1.00 0.00 C ATOM 440 C GLU A 30 7.565 -2.256 6.154 1.00 0.00 C ATOM 441 O GLU A 30 6.539 -2.074 6.808 1.00 0.00 O ATOM 442 CB GLU A 30 8.635 -4.538 6.258 1.00 0.00 C ATOM 443 CG GLU A 30 10.025 -5.086 5.928 1.00 0.00 C ATOM 444 CD GLU A 30 9.926 -6.388 5.132 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.796 -6.914 5.042 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.983 -6.829 4.631 1.00 0.00 O ATOM 0 H GLU A 30 7.974 -3.537 8.636 1.00 0.00 H new ATOM 0 HA GLU A 30 9.655 -2.669 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.173 -5.150 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.996 -4.603 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.585 -4.347 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.579 -5.261 6.850 1.00 0.00 H new ATOM 453 N VAL A 31 7.774 -1.777 4.937 1.00 0.00 N ATOM 454 CA VAL A 31 6.767 -0.972 4.267 1.00 0.00 C ATOM 455 C VAL A 31 6.408 -1.623 2.929 1.00 0.00 C ATOM 456 O VAL A 31 7.284 -1.885 2.107 1.00 0.00 O ATOM 457 CB VAL A 31 7.262 0.468 4.117 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.267 1.308 3.314 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.536 1.098 5.483 1.00 0.00 C ATOM 0 H VAL A 31 8.626 -1.931 4.397 1.00 0.00 H new ATOM 0 HA VAL A 31 5.855 -0.927 4.863 1.00 0.00 H new ATOM 0 HB VAL A 31 8.202 0.444 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.642 2.327 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.144 0.875 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.305 1.321 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.887 2.121 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.619 1.103 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.298 0.519 6.004 1.00 0.00 H new ATOM 469 N LEU A 32 5.117 -1.866 2.753 1.00 0.00 N ATOM 470 CA LEU A 32 4.631 -2.481 1.530 1.00 0.00 C ATOM 471 C LEU A 32 3.797 -1.463 0.749 1.00 0.00 C ATOM 472 O LEU A 32 3.567 -0.351 1.221 1.00 0.00 O ATOM 473 CB LEU A 32 3.882 -3.778 1.843 1.00 0.00 C ATOM 474 CG LEU A 32 4.723 -4.911 2.435 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.912 -5.241 1.531 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.163 -4.580 3.863 1.00 0.00 C ATOM 0 H LEU A 32 4.393 -1.648 3.437 1.00 0.00 H new ATOM 0 HA LEU A 32 5.466 -2.768 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.075 -3.549 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.419 -4.138 0.924 1.00 0.00 H new ATOM 0 HG LEU A 32 4.102 -5.805 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.493 -6.049 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.549 -5.551 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.542 -4.358 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.759 -5.402 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.760 -3.668 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.283 -4.434 4.490 1.00 0.00 H new ATOM 488 N GLU A 33 3.368 -1.880 -0.433 1.00 0.00 N ATOM 489 CA GLU A 33 2.566 -1.019 -1.285 1.00 0.00 C ATOM 490 C GLU A 33 1.086 -1.393 -1.174 1.00 0.00 C ATOM 491 O GLU A 33 0.679 -2.468 -1.611 1.00 0.00 O ATOM 492 CB GLU A 33 3.041 -1.087 -2.737 1.00 0.00 C ATOM 493 CG GLU A 33 3.131 0.311 -3.351 1.00 0.00 C ATOM 494 CD GLU A 33 4.041 0.313 -4.581 1.00 0.00 C ATOM 495 OE1 GLU A 33 5.264 0.149 -4.382 1.00 0.00 O ATOM 496 OE2 GLU A 33 3.493 0.477 -5.692 1.00 0.00 O ATOM 0 H GLU A 33 3.561 -2.803 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 33 2.688 0.010 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.017 -1.571 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.354 -1.700 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.135 0.654 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.513 1.013 -2.610 1.00 0.00 H new ATOM 503 N VAL A 34 0.322 -0.485 -0.585 1.00 0.00 N ATOM 504 CA VAL A 34 -1.104 -0.705 -0.411 1.00 0.00 C ATOM 505 C VAL A 34 -1.807 -0.557 -1.762 1.00 0.00 C ATOM 506 O VAL A 34 -1.595 0.424 -2.472 1.00 0.00 O ATOM 507 CB VAL A 34 -1.654 0.243 0.656 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.554 1.700 0.199 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.094 -0.120 1.022 1.00 0.00 C ATOM 0 H VAL A 34 0.664 0.405 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.293 -1.718 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.043 0.131 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.952 2.353 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.510 1.952 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.129 1.834 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.461 0.569 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.724 -0.050 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.125 -1.138 1.410 1.00 0.00 H new ATOM 519 N LEU A 35 -2.631 -1.547 -2.076 1.00 0.00 N ATOM 520 CA LEU A 35 -3.367 -1.539 -3.329 1.00 0.00 C ATOM 521 C LEU A 35 -4.860 -1.379 -3.037 1.00 0.00 C ATOM 522 O LEU A 35 -5.520 -0.516 -3.614 1.00 0.00 O ATOM 523 CB LEU A 35 -3.031 -2.782 -4.155 1.00 0.00 C ATOM 524 CG LEU A 35 -1.589 -3.285 -4.055 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.396 -4.561 -4.877 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.598 -2.190 -4.455 1.00 0.00 C ATOM 0 H LEU A 35 -2.805 -2.359 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.069 -0.688 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.698 -3.588 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.248 -2.568 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.386 -3.538 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.363 -4.898 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.064 -5.338 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.623 -4.358 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.419 -2.573 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.791 -1.883 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.716 -1.333 -3.792 1.00 0.00 H new ATOM 538 N GLU A 36 -5.349 -2.224 -2.141 1.00 0.00 N ATOM 539 CA GLU A 36 -6.752 -2.188 -1.766 1.00 0.00 C ATOM 540 C GLU A 36 -6.898 -1.797 -0.294 1.00 0.00 C ATOM 541 O GLU A 36 -6.318 -2.438 0.582 1.00 0.00 O ATOM 542 CB GLU A 36 -7.430 -3.530 -2.047 1.00 0.00 C ATOM 543 CG GLU A 36 -8.306 -3.450 -3.300 1.00 0.00 C ATOM 544 CD GLU A 36 -9.594 -4.256 -3.120 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.427 -3.819 -2.296 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.718 -5.290 -3.811 1.00 0.00 O ATOM 0 H GLU A 36 -4.798 -2.938 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.251 -1.433 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.673 -4.304 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.039 -3.820 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.551 -2.409 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.753 -3.828 -4.160 1.00 0.00 H new ATOM 553 N ASP A 37 -7.675 -0.749 -0.066 1.00 0.00 N ATOM 554 CA ASP A 37 -7.904 -0.266 1.285 1.00 0.00 C ATOM 555 C ASP A 37 -9.408 -0.096 1.513 1.00 0.00 C ATOM 556 O ASP A 37 -10.204 -0.292 0.597 1.00 0.00 O ATOM 557 CB ASP A 37 -7.236 1.093 1.505 1.00 0.00 C ATOM 558 CG ASP A 37 -8.047 2.298 1.023 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.770 2.130 0.017 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.925 3.359 1.671 1.00 0.00 O ATOM 0 H ASP A 37 -8.154 -0.220 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.481 -0.992 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.033 1.213 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.273 1.095 0.994 1.00 0.00 H new ATOM 565 N GLY A 38 -9.750 0.267 2.740 1.00 0.00 N ATOM 566 CA GLY A 38 -11.144 0.465 3.101 1.00 0.00 C ATOM 567 C GLY A 38 -11.881 -0.872 3.198 1.00 0.00 C ATOM 568 O GLY A 38 -13.110 -0.910 3.177 1.00 0.00 O ATOM 0 H GLY A 38 -9.086 0.429 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.205 0.988 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.629 1.099 2.358 1.00 0.00 H new ATOM 572 N ARG A 39 -11.099 -1.936 3.302 1.00 0.00 N ATOM 573 CA ARG A 39 -11.662 -3.272 3.402 1.00 0.00 C ATOM 574 C ARG A 39 -11.089 -3.999 4.620 1.00 0.00 C ATOM 575 O ARG A 39 -10.081 -3.575 5.184 1.00 0.00 O ATOM 576 CB ARG A 39 -11.367 -4.090 2.143 1.00 0.00 C ATOM 577 CG ARG A 39 -12.509 -5.062 1.841 1.00 0.00 C ATOM 578 CD ARG A 39 -13.037 -4.862 0.419 1.00 0.00 C ATOM 579 NE ARG A 39 -14.499 -4.638 0.449 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.244 -4.393 -0.638 1.00 0.00 C ATOM 581 NH1 ARG A 39 -14.668 -4.338 -1.847 1.00 0.00 N ATOM 582 NH2 ARG A 39 -16.565 -4.201 -0.516 1.00 0.00 N ATOM 0 H ARG A 39 -10.080 -1.900 3.319 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.742 -3.170 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.221 -3.420 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.438 -4.645 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.160 -6.088 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.317 -4.913 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.540 -4.011 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.807 -5.737 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.969 -4.672 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.663 -4.483 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.235 -4.152 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.003 -4.241 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.132 -4.015 -1.343 1.00 0.00 H new ATOM 596 N GLN A 40 -11.757 -5.082 4.991 1.00 0.00 N ATOM 597 CA GLN A 40 -11.327 -5.872 6.132 1.00 0.00 C ATOM 598 C GLN A 40 -9.801 -5.982 6.157 1.00 0.00 C ATOM 599 O GLN A 40 -9.148 -5.421 7.036 1.00 0.00 O ATOM 600 CB GLN A 40 -11.977 -7.256 6.117 1.00 0.00 C ATOM 601 CG GLN A 40 -13.412 -7.195 6.644 1.00 0.00 C ATOM 602 CD GLN A 40 -13.833 -8.537 7.245 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.743 -9.582 6.622 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.297 -8.451 8.489 1.00 0.00 N ATOM 0 H GLN A 40 -12.593 -5.431 4.521 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.650 -5.366 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.976 -7.651 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.391 -7.943 6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.493 -6.413 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.090 -6.927 5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.346 -7.544 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.604 -9.292 8.978 1.00 0.00 H new ATOM 613 N TRP A 41 -9.277 -6.710 5.182 1.00 0.00 N ATOM 614 CA TRP A 41 -7.840 -6.901 5.080 1.00 0.00 C ATOM 615 C TRP A 41 -7.344 -6.123 3.860 1.00 0.00 C ATOM 616 O TRP A 41 -7.981 -6.139 2.808 1.00 0.00 O ATOM 617 CB TRP A 41 -7.488 -8.389 5.023 1.00 0.00 C ATOM 618 CG TRP A 41 -7.649 -9.118 6.359 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.628 -8.978 7.263 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.759 -10.114 6.907 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.436 -9.807 8.349 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.263 -10.520 8.126 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.569 -10.654 6.390 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.642 -11.482 8.931 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.960 -11.615 7.207 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.454 -12.034 8.436 1.00 0.00 C ATOM 0 H TRP A 41 -9.822 -7.175 4.456 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.336 -6.516 5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.120 -8.873 4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.457 -8.495 4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.463 -8.301 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.043 -9.883 9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.157 -10.352 5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.056 -11.782 9.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.041 -12.062 6.857 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.924 -12.782 9.007 1.00 0.00 H new ATOM 637 N TRP A 42 -6.211 -5.460 4.042 1.00 0.00 N ATOM 638 CA TRP A 42 -5.623 -4.676 2.969 1.00 0.00 C ATOM 639 C TRP A 42 -4.822 -5.625 2.075 1.00 0.00 C ATOM 640 O TRP A 42 -4.391 -6.688 2.521 1.00 0.00 O ATOM 641 CB TRP A 42 -4.781 -3.527 3.527 1.00 0.00 C ATOM 642 CG TRP A 42 -5.595 -2.458 4.259 1.00 0.00 C ATOM 643 CD1 TRP A 42 -6.916 -2.434 4.478 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.082 -1.252 4.864 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.292 -1.304 5.177 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.141 -0.563 5.419 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.768 -0.760 4.940 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -5.995 0.657 6.089 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.638 0.461 5.612 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.694 1.167 6.177 1.00 0.00 C ATOM 0 H TRP A 42 -5.685 -5.450 4.916 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.399 -4.202 2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.037 -3.934 4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.237 -3.057 2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.601 -3.202 4.149 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.240 -1.058 5.463 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.925 -1.283 4.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.840 1.177 6.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.648 0.884 5.698 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.512 2.104 6.681 1.00 0.00 H new ATOM 661 N LYS A 43 -4.645 -5.207 0.830 1.00 0.00 N ATOM 662 CA LYS A 43 -3.903 -6.007 -0.130 1.00 0.00 C ATOM 663 C LYS A 43 -2.608 -5.281 -0.499 1.00 0.00 C ATOM 664 O LYS A 43 -2.618 -4.365 -1.320 1.00 0.00 O ATOM 665 CB LYS A 43 -4.782 -6.348 -1.335 1.00 0.00 C ATOM 666 CG LYS A 43 -4.172 -7.490 -2.152 1.00 0.00 C ATOM 667 CD LYS A 43 -4.934 -7.694 -3.463 1.00 0.00 C ATOM 668 CE LYS A 43 -4.117 -8.533 -4.447 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.891 -8.780 -5.684 1.00 0.00 N ATOM 0 H LYS A 43 -5.003 -4.325 0.464 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.619 -6.963 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.778 -6.631 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.899 -5.467 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.126 -7.271 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.192 -8.410 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.885 -8.187 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.164 -6.726 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.188 -8.018 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.844 -9.482 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.322 -9.351 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.766 -9.291 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.130 -7.872 -6.131 1.00 0.00 H new ATOM 683 N LEU A 44 -1.524 -5.716 0.126 1.00 0.00 N ATOM 684 CA LEU A 44 -0.224 -5.119 -0.126 1.00 0.00 C ATOM 685 C LEU A 44 0.512 -5.941 -1.187 1.00 0.00 C ATOM 686 O LEU A 44 0.103 -7.055 -1.509 1.00 0.00 O ATOM 687 CB LEU A 44 0.556 -4.962 1.180 1.00 0.00 C ATOM 688 CG LEU A 44 -0.225 -4.382 2.362 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.889 -3.056 1.982 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.235 -5.395 2.902 1.00 0.00 C ATOM 0 H LEU A 44 -1.520 -6.475 0.807 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.338 -4.111 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.942 -5.939 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.418 -4.322 0.991 1.00 0.00 H new ATOM 0 HG LEU A 44 0.479 -4.171 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.437 -2.665 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.125 -2.339 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.578 -3.219 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.776 -4.957 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.940 -5.661 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.710 -6.290 3.236 1.00 0.00 H new ATOM 702 N ARG A 45 1.586 -5.358 -1.700 1.00 0.00 N ATOM 703 CA ARG A 45 2.383 -6.023 -2.717 1.00 0.00 C ATOM 704 C ARG A 45 3.874 -5.864 -2.410 1.00 0.00 C ATOM 705 O ARG A 45 4.381 -4.746 -2.339 1.00 0.00 O ATOM 706 CB ARG A 45 2.092 -5.450 -4.106 1.00 0.00 C ATOM 707 CG ARG A 45 2.904 -6.177 -5.180 1.00 0.00 C ATOM 708 CD ARG A 45 3.211 -5.249 -6.356 1.00 0.00 C ATOM 709 NE ARG A 45 4.464 -4.504 -6.099 1.00 0.00 N ATOM 710 CZ ARG A 45 5.170 -3.872 -7.047 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.751 -3.891 -8.319 1.00 0.00 N ATOM 712 NH2 ARG A 45 6.296 -3.222 -6.721 1.00 0.00 N ATOM 0 H ARG A 45 1.922 -4.434 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 45 2.117 -7.080 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.028 -5.541 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.331 -4.387 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.835 -6.545 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.350 -7.047 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.305 -5.830 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.387 -4.551 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 45 4.812 -4.469 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.894 -4.386 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.288 -3.410 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.615 -3.209 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.834 -2.741 -7.442 1.00 0.00 H new ATOM 726 N SER A 46 4.534 -7.000 -2.238 1.00 0.00 N ATOM 727 CA SER A 46 5.956 -7.002 -1.940 1.00 0.00 C ATOM 728 C SER A 46 6.747 -6.534 -3.164 1.00 0.00 C ATOM 729 O SER A 46 6.293 -6.688 -4.297 1.00 0.00 O ATOM 730 CB SER A 46 6.426 -8.391 -1.504 1.00 0.00 C ATOM 731 OG SER A 46 6.760 -9.216 -2.617 1.00 0.00 O ATOM 0 H SER A 46 4.110 -7.926 -2.299 1.00 0.00 H new ATOM 0 HA SER A 46 6.133 -6.313 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.294 -8.292 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.642 -8.872 -0.919 1.00 0.00 H new ATOM 0 HG SER A 46 7.057 -10.093 -2.297 1.00 0.00 H new ATOM 737 N ARG A 47 7.916 -5.972 -2.893 1.00 0.00 N ATOM 738 CA ARG A 47 8.774 -5.481 -3.958 1.00 0.00 C ATOM 739 C ARG A 47 9.041 -6.589 -4.978 1.00 0.00 C ATOM 740 O ARG A 47 9.376 -6.311 -6.129 1.00 0.00 O ATOM 741 CB ARG A 47 10.107 -4.976 -3.402 1.00 0.00 C ATOM 742 CG ARG A 47 10.902 -6.117 -2.764 1.00 0.00 C ATOM 743 CD ARG A 47 11.170 -5.837 -1.283 1.00 0.00 C ATOM 744 NE ARG A 47 12.262 -6.707 -0.793 1.00 0.00 N ATOM 745 CZ ARG A 47 12.744 -6.676 0.457 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.235 -5.817 1.350 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.736 -7.503 0.813 1.00 0.00 N ATOM 0 H ARG A 47 8.289 -5.846 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 47 8.259 -4.652 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.692 -4.524 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.925 -4.197 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.351 -7.052 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.848 -6.245 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.439 -4.790 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.265 -6.013 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 47 12.674 -7.372 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.481 -5.187 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.602 -5.793 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.124 -8.156 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.103 -7.479 1.764 1.00 0.00 H new ATOM 761 N SER A 48 8.883 -7.822 -4.520 1.00 0.00 N ATOM 762 CA SER A 48 9.104 -8.973 -5.379 1.00 0.00 C ATOM 763 C SER A 48 8.000 -9.057 -6.436 1.00 0.00 C ATOM 764 O SER A 48 8.112 -9.818 -7.395 1.00 0.00 O ATOM 765 CB SER A 48 9.156 -10.266 -4.563 1.00 0.00 C ATOM 766 OG SER A 48 10.373 -10.978 -4.769 1.00 0.00 O ATOM 0 H SER A 48 8.605 -8.049 -3.565 1.00 0.00 H new ATOM 0 HA SER A 48 10.066 -8.849 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.048 -10.031 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.313 -10.901 -4.836 1.00 0.00 H new ATOM 0 HG SER A 48 10.369 -11.796 -4.230 1.00 0.00 H new ATOM 772 N GLY A 49 6.961 -8.263 -6.224 1.00 0.00 N ATOM 773 CA GLY A 49 5.838 -8.238 -7.146 1.00 0.00 C ATOM 774 C GLY A 49 4.651 -9.024 -6.587 1.00 0.00 C ATOM 775 O GLY A 49 3.530 -8.892 -7.075 1.00 0.00 O ATOM 0 H GLY A 49 6.873 -7.632 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.540 -7.206 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.140 -8.661 -8.104 1.00 0.00 H new ATOM 779 N GLN A 50 4.938 -9.824 -5.570 1.00 0.00 N ATOM 780 CA GLN A 50 3.908 -10.631 -4.939 1.00 0.00 C ATOM 781 C GLN A 50 2.853 -9.733 -4.290 1.00 0.00 C ATOM 782 O GLN A 50 3.135 -8.587 -3.945 1.00 0.00 O ATOM 783 CB GLN A 50 4.515 -11.592 -3.915 1.00 0.00 C ATOM 784 CG GLN A 50 4.457 -13.036 -4.416 1.00 0.00 C ATOM 785 CD GLN A 50 3.027 -13.427 -4.797 1.00 0.00 C ATOM 786 OE1 GLN A 50 2.175 -13.660 -3.956 1.00 0.00 O ATOM 787 NE2 GLN A 50 2.814 -13.486 -6.108 1.00 0.00 N ATOM 0 H GLN A 50 5.869 -9.930 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 50 3.422 -11.231 -5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.550 -11.313 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.978 -11.509 -2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.112 -13.152 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.828 -13.708 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.572 -13.279 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.892 -13.739 -6.464 1.00 0.00 H new ATOM 796 N ALA A 51 1.658 -10.287 -4.145 1.00 0.00 N ATOM 797 CA ALA A 51 0.559 -9.550 -3.544 1.00 0.00 C ATOM 798 C ALA A 51 -0.276 -10.500 -2.684 1.00 0.00 C ATOM 799 O ALA A 51 -0.655 -11.581 -3.134 1.00 0.00 O ATOM 800 CB ALA A 51 -0.268 -8.880 -4.643 1.00 0.00 C ATOM 0 H ALA A 51 1.427 -11.238 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 51 0.936 -8.761 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.092 -8.327 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.364 -8.194 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.666 -9.641 -5.314 1.00 0.00 H new ATOM 806 N GLY A 52 -0.538 -10.064 -1.461 1.00 0.00 N ATOM 807 CA GLY A 52 -1.322 -10.862 -0.533 1.00 0.00 C ATOM 808 C GLY A 52 -2.099 -9.970 0.438 1.00 0.00 C ATOM 809 O GLY A 52 -1.807 -8.781 0.563 1.00 0.00 O ATOM 0 H GLY A 52 -0.221 -9.168 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.017 -11.493 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.664 -11.527 0.026 1.00 0.00 H new ATOM 813 N TYR A 53 -3.073 -10.577 1.099 1.00 0.00 N ATOM 814 CA TYR A 53 -3.894 -9.853 2.054 1.00 0.00 C ATOM 815 C TYR A 53 -3.378 -10.050 3.481 1.00 0.00 C ATOM 816 O TYR A 53 -2.826 -11.100 3.806 1.00 0.00 O ATOM 817 CB TYR A 53 -5.297 -10.453 1.945 1.00 0.00 C ATOM 818 CG TYR A 53 -6.068 -10.009 0.700 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.613 -8.742 0.642 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.219 -10.875 -0.364 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.339 -8.324 -0.529 1.00 0.00 C ATOM 822 CE2 TYR A 53 -6.945 -10.457 -1.535 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.469 -9.202 -1.560 1.00 0.00 C ATOM 824 OH TYR A 53 -8.155 -8.808 -2.666 1.00 0.00 O ATOM 0 H TYR A 53 -3.312 -11.563 0.992 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.879 -8.784 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.217 -11.540 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.869 -10.178 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.495 -8.065 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.793 -11.866 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.771 -7.336 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.071 -11.125 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.166 -9.537 -3.321 1.00 0.00 H new ATOM 834 N VAL A 54 -3.576 -9.023 4.295 1.00 0.00 N ATOM 835 CA VAL A 54 -3.137 -9.070 5.679 1.00 0.00 C ATOM 836 C VAL A 54 -4.070 -8.209 6.534 1.00 0.00 C ATOM 837 O VAL A 54 -4.829 -7.398 6.007 1.00 0.00 O ATOM 838 CB VAL A 54 -1.671 -8.643 5.778 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.745 -9.861 5.792 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.301 -7.685 4.644 1.00 0.00 C ATOM 0 H VAL A 54 -4.035 -8.154 4.022 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.191 -10.089 6.063 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.540 -8.112 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.291 -9.530 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.984 -10.490 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.881 -10.432 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.254 -7.397 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.457 -8.179 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.928 -6.795 4.700 1.00 0.00 H new ATOM 850 N PRO A 55 -3.980 -8.422 7.874 1.00 0.00 N ATOM 851 CA PRO A 55 -4.806 -7.675 8.808 1.00 0.00 C ATOM 852 C PRO A 55 -4.296 -6.242 8.966 1.00 0.00 C ATOM 853 O PRO A 55 -3.089 -6.006 8.975 1.00 0.00 O ATOM 854 CB PRO A 55 -4.754 -8.471 10.102 1.00 0.00 C ATOM 855 CG PRO A 55 -3.537 -9.374 9.988 1.00 0.00 C ATOM 856 CD PRO A 55 -3.092 -9.375 8.534 1.00 0.00 C ATOM 0 HA PRO A 55 -5.835 -7.565 8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.670 -7.809 10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.663 -9.057 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.734 -9.016 10.633 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.780 -10.385 10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.048 -9.075 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.180 -10.368 8.094 1.00 0.00 H new ATOM 864 N CYS A 56 -5.242 -5.321 9.087 1.00 0.00 N ATOM 865 CA CYS A 56 -4.904 -3.917 9.244 1.00 0.00 C ATOM 866 C CYS A 56 -4.478 -3.685 10.696 1.00 0.00 C ATOM 867 O CYS A 56 -4.082 -2.579 11.061 1.00 0.00 O ATOM 868 CB CYS A 56 -6.064 -3.006 8.838 1.00 0.00 C ATOM 869 SG CYS A 56 -7.482 -3.257 9.967 1.00 0.00 S ATOM 0 H CYS A 56 -6.242 -5.521 9.079 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.079 -3.663 8.578 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.746 -1.964 8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.363 -3.220 7.812 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.461 -2.477 9.615 1.00 0.00 H new ATOM 875 N ASN A 57 -4.574 -4.746 11.483 1.00 0.00 N ATOM 876 CA ASN A 57 -4.204 -4.672 12.887 1.00 0.00 C ATOM 877 C ASN A 57 -2.697 -4.433 13.000 1.00 0.00 C ATOM 878 O ASN A 57 -2.253 -3.616 13.806 1.00 0.00 O ATOM 879 CB ASN A 57 -4.531 -5.979 13.612 1.00 0.00 C ATOM 880 CG ASN A 57 -4.907 -5.716 15.072 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.043 -5.879 15.486 1.00 0.00 O ATOM 882 ND2 ASN A 57 -3.893 -5.301 15.825 1.00 0.00 N ATOM 0 H ASN A 57 -4.902 -5.662 11.176 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.766 -3.857 13.342 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.354 -6.484 13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.672 -6.648 13.569 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.042 -5.098 16.814 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.967 -5.186 15.414 1.00 0.00 H new ATOM 889 N ILE A 58 -1.951 -5.160 12.181 1.00 0.00 N ATOM 890 CA ILE A 58 -0.503 -5.037 12.179 1.00 0.00 C ATOM 891 C ILE A 58 -0.100 -3.818 11.347 1.00 0.00 C ATOM 892 O ILE A 58 0.957 -3.230 11.571 1.00 0.00 O ATOM 893 CB ILE A 58 0.145 -6.342 11.713 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.153 -6.604 10.235 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.281 -7.513 12.600 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.280 -8.015 9.830 1.00 0.00 C ATOM 0 H ILE A 58 -2.322 -5.837 11.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.134 -4.869 13.191 1.00 0.00 H new ATOM 0 HB ILE A 58 1.226 -6.241 11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.220 -6.479 10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.367 -5.870 9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.194 -8.428 12.247 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.023 -7.320 13.629 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.364 -7.626 12.557 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.057 -8.175 8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.351 -8.128 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.260 -8.748 10.430 1.00 0.00 H new ATOM 908 N LEU A 59 -0.964 -3.474 10.403 1.00 0.00 N ATOM 909 CA LEU A 59 -0.711 -2.336 9.536 1.00 0.00 C ATOM 910 C LEU A 59 -0.733 -1.052 10.367 1.00 0.00 C ATOM 911 O LEU A 59 -1.294 -1.026 11.461 1.00 0.00 O ATOM 912 CB LEU A 59 -1.695 -2.326 8.364 1.00 0.00 C ATOM 913 CG LEU A 59 -1.644 -3.541 7.435 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.770 -3.488 6.401 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.268 -3.671 6.778 1.00 0.00 C ATOM 0 H LEU A 59 -1.840 -3.963 10.220 1.00 0.00 H new ATOM 0 HA LEU A 59 0.281 -2.411 9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.705 -2.242 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.512 -1.431 7.769 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.800 -4.437 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.711 -4.363 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.733 -3.479 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.670 -2.584 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.258 -4.542 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.058 -2.775 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.494 -3.788 7.549 1.00 0.00 H new ATOM 927 N GLY A 60 -0.114 -0.018 9.817 1.00 0.00 N ATOM 928 CA GLY A 60 -0.055 1.266 10.494 1.00 0.00 C ATOM 929 C GLY A 60 -0.102 2.419 9.489 1.00 0.00 C ATOM 930 O GLY A 60 -0.778 2.328 8.466 1.00 0.00 O ATOM 0 H GLY A 60 0.351 -0.043 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.889 1.352 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.860 1.329 11.083 1.00 0.00 H new ATOM 934 N GLU A 61 0.625 3.477 9.816 1.00 0.00 N ATOM 935 CA GLU A 61 0.676 4.646 8.955 1.00 0.00 C ATOM 936 C GLU A 61 2.109 4.897 8.483 1.00 0.00 C ATOM 937 O GLU A 61 3.056 4.734 9.251 1.00 0.00 O ATOM 938 CB GLU A 61 0.109 5.876 9.667 1.00 0.00 C ATOM 939 CG GLU A 61 0.536 7.164 8.959 1.00 0.00 C ATOM 940 CD GLU A 61 -0.025 8.395 9.675 1.00 0.00 C ATOM 941 OE1 GLU A 61 -1.249 8.615 9.551 1.00 0.00 O ATOM 942 OE2 GLU A 61 0.783 9.087 10.331 1.00 0.00 O ATOM 0 H GLU A 61 1.184 3.549 10.666 1.00 0.00 H new ATOM 0 HA GLU A 61 0.055 4.455 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.979 5.815 9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.454 5.893 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.624 7.222 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.187 7.149 7.927 1.00 0.00 H new ATOM 949 N ALA A 62 2.224 5.290 7.223 1.00 0.00 N ATOM 950 CA ALA A 62 3.526 5.565 6.640 1.00 0.00 C ATOM 951 C ALA A 62 3.557 7.007 6.130 1.00 0.00 C ATOM 952 O ALA A 62 2.565 7.502 5.597 1.00 0.00 O ATOM 953 CB ALA A 62 3.815 4.548 5.534 1.00 0.00 C ATOM 0 H ALA A 62 1.436 5.425 6.589 1.00 0.00 H new ATOM 0 HA ALA A 62 4.312 5.464 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.792 4.754 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.811 3.542 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.049 4.622 4.762 1.00 0.00 H new ATOM 959 N SER A 63 4.707 7.640 6.311 1.00 0.00 N ATOM 960 CA SER A 63 4.880 9.015 5.875 1.00 0.00 C ATOM 961 C SER A 63 5.104 9.061 4.362 1.00 0.00 C ATOM 962 O SER A 63 6.239 8.983 3.896 1.00 0.00 O ATOM 963 CB SER A 63 6.049 9.681 6.605 1.00 0.00 C ATOM 964 OG SER A 63 5.640 10.844 7.319 1.00 0.00 O ATOM 0 H SER A 63 5.528 7.226 6.753 1.00 0.00 H new ATOM 0 HA SER A 63 3.972 9.567 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.496 8.969 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.820 9.951 5.884 1.00 0.00 H new ATOM 0 HG SER A 63 6.414 11.239 7.772 1.00 0.00 H new ATOM 970 N GLY A 64 4.002 9.187 3.637 1.00 0.00 N ATOM 971 CA GLY A 64 4.063 9.244 2.187 1.00 0.00 C ATOM 972 C GLY A 64 4.279 10.679 1.703 1.00 0.00 C ATOM 973 O GLY A 64 4.472 11.587 2.509 1.00 0.00 O ATOM 0 H GLY A 64 3.062 9.251 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.874 8.610 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.139 8.849 1.765 1.00 0.00 H new ATOM 977 N PRO A 65 4.237 10.843 0.353 1.00 0.00 N ATOM 978 CA PRO A 65 4.425 12.152 -0.248 1.00 0.00 C ATOM 979 C PRO A 65 3.179 13.022 -0.068 1.00 0.00 C ATOM 980 O PRO A 65 3.286 14.224 0.173 1.00 0.00 O ATOM 981 CB PRO A 65 4.749 11.873 -1.706 1.00 0.00 C ATOM 982 CG PRO A 65 4.276 10.454 -1.974 1.00 0.00 C ATOM 983 CD PRO A 65 4.009 9.790 -0.632 1.00 0.00 C ATOM 0 HA PRO A 65 5.228 12.719 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.244 12.583 -2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.818 11.970 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.372 10.462 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.031 9.899 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.990 9.408 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.676 8.944 -0.469 1.00 0.00 H new ATOM 991 N SER A 66 2.026 12.381 -0.193 1.00 0.00 N ATOM 992 CA SER A 66 0.761 13.081 -0.047 1.00 0.00 C ATOM 993 C SER A 66 0.595 14.101 -1.176 1.00 0.00 C ATOM 994 O SER A 66 1.419 15.001 -1.331 1.00 0.00 O ATOM 995 CB SER A 66 0.669 13.775 1.313 1.00 0.00 C ATOM 996 OG SER A 66 -0.387 13.247 2.111 1.00 0.00 O ATOM 0 H SER A 66 1.941 11.385 -0.394 1.00 0.00 H new ATOM 0 HA SER A 66 -0.044 12.349 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.615 13.662 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.512 14.843 1.165 1.00 0.00 H new ATOM 0 HG SER A 66 -0.412 13.715 2.972 1.00 0.00 H new ATOM 1002 N SER A 67 -0.478 13.927 -1.934 1.00 0.00 N ATOM 1003 CA SER A 67 -0.762 14.821 -3.044 1.00 0.00 C ATOM 1004 C SER A 67 -1.045 16.231 -2.520 1.00 0.00 C ATOM 1005 O SER A 67 -0.348 17.180 -2.877 1.00 0.00 O ATOM 1006 CB SER A 67 -1.947 14.315 -3.869 1.00 0.00 C ATOM 1007 OG SER A 67 -2.209 15.149 -4.994 1.00 0.00 O ATOM 0 H SER A 67 -1.161 13.181 -1.801 1.00 0.00 H new ATOM 0 HA SER A 67 0.113 14.849 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.744 13.300 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.834 14.268 -3.238 1.00 0.00 H new ATOM 0 HG SER A 67 -2.971 14.792 -5.496 1.00 0.00 H new ATOM 1013 N GLY A 68 -2.068 16.323 -1.684 1.00 0.00 N ATOM 1014 CA GLY A 68 -2.451 17.601 -1.108 1.00 0.00 C ATOM 1015 C GLY A 68 -1.218 18.405 -0.689 1.00 0.00 C ATOM 1016 O GLY A 68 -1.342 19.452 -0.056 1.00 0.00 O ATOM 0 H GLY A 68 -2.644 15.534 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.032 18.171 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.093 17.436 -0.243 1.00 0.00 H new TER 1020 GLY A 68