USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 303 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 78 ZNZN :(H bumps) USER MOD Single : A 4 MET CE :methyl 166:sc= 0 (180deg=-0.323) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= -0.0236 (180deg=-0.558) USER MOD Single : A 12 THR OG1 : rot -49:sc= 1.43! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -76:sc= 0.371 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 41 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 67.002 -23.223 -7.880 1.00 0.00 N ATOM 2 CA MET A 4 66.508 -22.281 -8.922 1.00 0.00 C ATOM 3 C MET A 4 65.943 -21.008 -8.297 1.00 0.00 C ATOM 4 O MET A 4 66.424 -19.908 -8.565 1.00 0.00 O ATOM 5 CB MET A 4 65.431 -22.987 -9.751 1.00 0.00 C ATOM 6 CG MET A 4 65.648 -22.885 -11.251 1.00 0.00 C ATOM 7 SD MET A 4 64.878 -24.242 -12.154 1.00 0.00 S ATOM 8 CE MET A 4 63.213 -24.179 -11.501 1.00 0.00 C ATOM 0 HA MET A 4 67.342 -21.989 -9.561 1.00 0.00 H new ATOM 0 HB2 MET A 4 65.400 -24.039 -9.468 1.00 0.00 H new ATOM 0 HB3 MET A 4 64.458 -22.562 -9.504 1.00 0.00 H new ATOM 0 HG2 MET A 4 65.244 -21.938 -11.610 1.00 0.00 H new ATOM 0 HG3 MET A 4 66.718 -22.874 -11.460 1.00 0.00 H new ATOM 0 HE1 MET A 4 62.554 -24.780 -12.127 1.00 0.00 H new ATOM 0 HE2 MET A 4 63.206 -24.573 -10.485 1.00 0.00 H new ATOM 0 HE3 MET A 4 62.864 -23.146 -11.493 1.00 0.00 H new ATOM 18 N THR A 5 64.918 -21.164 -7.465 1.00 0.00 N ATOM 19 CA THR A 5 64.289 -20.025 -6.805 1.00 0.00 C ATOM 20 C THR A 5 63.784 -19.016 -7.834 1.00 0.00 C ATOM 21 O THR A 5 63.745 -19.306 -9.031 1.00 0.00 O ATOM 22 CB THR A 5 65.278 -19.353 -5.850 1.00 0.00 C ATOM 23 OG1 THR A 5 66.270 -20.274 -5.432 1.00 0.00 O ATOM 24 CG2 THR A 5 64.626 -18.789 -4.605 1.00 0.00 C ATOM 0 H THR A 5 64.505 -22.067 -7.232 1.00 0.00 H new ATOM 0 HA THR A 5 63.437 -20.389 -6.232 1.00 0.00 H new ATOM 0 HB THR A 5 65.711 -18.529 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 5 66.895 -19.828 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 5 65.385 -18.328 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.886 -18.040 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 5 64.136 -19.592 -4.055 1.00 0.00 H new ATOM 32 N THR A 6 63.398 -17.832 -7.365 1.00 0.00 N ATOM 33 CA THR A 6 62.898 -16.785 -8.249 1.00 0.00 C ATOM 34 C THR A 6 63.916 -16.457 -9.337 1.00 0.00 C ATOM 35 O THR A 6 65.124 -16.473 -9.096 1.00 0.00 O ATOM 36 CB THR A 6 62.570 -15.520 -7.447 1.00 0.00 C ATOM 37 OG1 THR A 6 63.703 -15.076 -6.721 1.00 0.00 O ATOM 38 CG2 THR A 6 61.437 -15.709 -6.461 1.00 0.00 C ATOM 0 H THR A 6 63.422 -17.575 -6.378 1.00 0.00 H new ATOM 0 HA THR A 6 61.989 -17.153 -8.724 1.00 0.00 H new ATOM 0 HB THR A 6 62.263 -14.783 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.436 -14.368 -6.098 1.00 0.00 H new ATOM 0 HG21 THR A 6 61.259 -14.775 -5.928 1.00 0.00 H new ATOM 0 HG22 THR A 6 60.533 -16.000 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.702 -16.489 -5.747 1.00 0.00 H new ATOM 46 N SER A 7 63.419 -16.159 -10.535 1.00 0.00 N ATOM 47 CA SER A 7 64.285 -15.828 -11.662 1.00 0.00 C ATOM 48 C SER A 7 64.274 -14.324 -11.931 1.00 0.00 C ATOM 49 O SER A 7 64.146 -13.884 -13.073 1.00 0.00 O ATOM 50 CB SER A 7 63.840 -16.593 -12.913 1.00 0.00 C ATOM 51 OG SER A 7 64.911 -17.347 -13.459 1.00 0.00 O ATOM 0 H SER A 7 62.422 -16.140 -10.750 1.00 0.00 H new ATOM 0 HA SER A 7 65.304 -16.123 -11.410 1.00 0.00 H new ATOM 0 HB2 SER A 7 63.014 -17.258 -12.662 1.00 0.00 H new ATOM 0 HB3 SER A 7 63.468 -15.891 -13.659 1.00 0.00 H new ATOM 0 HG SER A 7 64.601 -17.827 -14.255 1.00 0.00 H new ATOM 57 N SER A 8 64.414 -13.542 -10.867 1.00 0.00 N ATOM 58 CA SER A 8 64.422 -12.088 -10.977 1.00 0.00 C ATOM 59 C SER A 8 64.667 -11.450 -9.613 1.00 0.00 C ATOM 60 O SER A 8 65.740 -10.904 -9.357 1.00 0.00 O ATOM 61 CB SER A 8 63.100 -11.590 -11.563 1.00 0.00 C ATOM 62 OG SER A 8 63.295 -10.423 -12.342 1.00 0.00 O ATOM 0 H SER A 8 64.524 -13.892 -9.915 1.00 0.00 H new ATOM 0 HA SER A 8 65.232 -11.799 -11.647 1.00 0.00 H new ATOM 0 HB2 SER A 8 62.654 -12.371 -12.178 1.00 0.00 H new ATOM 0 HB3 SER A 8 62.398 -11.380 -10.757 1.00 0.00 H new ATOM 0 HG SER A 8 62.435 -10.126 -12.707 1.00 0.00 H new ATOM 68 N ARG A 9 63.669 -11.532 -8.736 1.00 0.00 N ATOM 69 CA ARG A 9 63.781 -10.970 -7.396 1.00 0.00 C ATOM 70 C ARG A 9 63.991 -9.467 -7.450 1.00 0.00 C ATOM 71 O ARG A 9 64.551 -8.933 -8.411 1.00 0.00 O ATOM 72 CB ARG A 9 64.936 -11.634 -6.638 1.00 0.00 C ATOM 73 CG ARG A 9 65.053 -11.205 -5.181 1.00 0.00 C ATOM 74 CD ARG A 9 64.667 -12.330 -4.233 1.00 0.00 C ATOM 75 NE ARG A 9 65.537 -13.493 -4.383 1.00 0.00 N ATOM 76 CZ ARG A 9 66.617 -13.718 -3.638 1.00 0.00 C ATOM 77 NH1 ARG A 9 66.975 -12.860 -2.688 1.00 0.00 N ATOM 78 NH2 ARG A 9 67.347 -14.804 -3.847 1.00 0.00 N ATOM 0 H ARG A 9 62.775 -11.982 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 9 62.847 -11.166 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 9 64.808 -12.716 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 9 65.871 -11.405 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 9 66.076 -10.890 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 9 64.412 -10.342 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 9 64.716 -11.971 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 9 63.634 -12.623 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 9 65.303 -14.176 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 9 66.420 -12.020 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 9 67.804 -13.042 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 9 67.081 -15.465 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 9 68.175 -14.979 -3.278 1.00 0.00 H new ATOM 92 N TYR A 10 63.535 -8.791 -6.407 1.00 0.00 N ATOM 93 CA TYR A 10 63.655 -7.355 -6.305 1.00 0.00 C ATOM 94 C TYR A 10 65.114 -6.932 -6.239 1.00 0.00 C ATOM 95 O TYR A 10 66.010 -7.689 -6.612 1.00 0.00 O ATOM 96 CB TYR A 10 62.879 -6.890 -5.077 1.00 0.00 C ATOM 97 CG TYR A 10 61.467 -6.497 -5.412 1.00 0.00 C ATOM 98 CD1 TYR A 10 60.639 -7.390 -6.072 1.00 0.00 C ATOM 99 CD2 TYR A 10 60.971 -5.239 -5.099 1.00 0.00 C ATOM 100 CE1 TYR A 10 59.345 -7.043 -6.409 1.00 0.00 C ATOM 101 CE2 TYR A 10 59.682 -4.881 -5.434 1.00 0.00 C ATOM 102 CZ TYR A 10 58.872 -5.788 -6.089 1.00 0.00 C ATOM 103 OH TYR A 10 57.585 -5.436 -6.427 1.00 0.00 O ATOM 0 H TYR A 10 63.072 -9.228 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 10 63.235 -6.885 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 10 62.866 -7.688 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 10 63.393 -6.042 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 10 61.010 -8.372 -6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 10 61.604 -4.530 -4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 10 58.708 -7.750 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 10 59.309 -3.898 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 10 57.408 -4.519 -6.130 1.00 0.00 H new ATOM 113 N LYS A 11 65.344 -5.709 -5.798 1.00 0.00 N ATOM 114 CA LYS A 11 66.678 -5.162 -5.713 1.00 0.00 C ATOM 115 C LYS A 11 67.497 -5.870 -4.647 1.00 0.00 C ATOM 116 O LYS A 11 67.127 -6.938 -4.161 1.00 0.00 O ATOM 117 CB LYS A 11 66.603 -3.664 -5.430 1.00 0.00 C ATOM 118 CG LYS A 11 65.478 -2.970 -6.181 1.00 0.00 C ATOM 119 CD LYS A 11 65.938 -1.662 -6.797 1.00 0.00 C ATOM 120 CE LYS A 11 66.651 -1.901 -8.115 1.00 0.00 C ATOM 121 NZ LYS A 11 68.133 -1.887 -7.953 1.00 0.00 N ATOM 0 H LYS A 11 64.610 -5.071 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 11 67.178 -5.320 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 11 66.467 -3.509 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 67.552 -3.201 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 11 65.102 -3.629 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 11 64.649 -2.780 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 11 65.079 -1.010 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 66.606 -1.146 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 66.340 -2.860 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 11 66.356 -1.135 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 68.578 -1.613 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 68.395 -1.203 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 68.461 -2.835 -7.679 1.00 0.00 H new ATOM 135 N THR A 12 68.619 -5.264 -4.299 1.00 0.00 N ATOM 136 CA THR A 12 69.520 -5.828 -3.301 1.00 0.00 C ATOM 137 C THR A 12 69.710 -4.898 -2.104 1.00 0.00 C ATOM 138 O THR A 12 70.477 -5.205 -1.192 1.00 0.00 O ATOM 139 CB THR A 12 70.870 -6.109 -3.940 1.00 0.00 C ATOM 140 OG1 THR A 12 71.816 -6.488 -2.962 1.00 0.00 O ATOM 141 CG2 THR A 12 71.434 -4.928 -4.699 1.00 0.00 C ATOM 0 H THR A 12 68.931 -4.377 -4.693 1.00 0.00 H new ATOM 0 HA THR A 12 69.071 -6.751 -2.935 1.00 0.00 H new ATOM 0 HB THR A 12 70.691 -6.918 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 12 71.798 -5.844 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 12 72.398 -5.199 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.747 -4.647 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 12 71.564 -4.086 -4.019 1.00 0.00 H new ATOM 149 N GLU A 13 69.038 -3.753 -2.122 1.00 0.00 N ATOM 150 CA GLU A 13 69.170 -2.785 -1.059 1.00 0.00 C ATOM 151 C GLU A 13 68.296 -3.132 0.158 1.00 0.00 C ATOM 152 O GLU A 13 67.696 -4.201 0.210 1.00 0.00 O ATOM 153 CB GLU A 13 68.832 -1.399 -1.600 1.00 0.00 C ATOM 154 CG GLU A 13 70.053 -0.564 -1.961 1.00 0.00 C ATOM 155 CD GLU A 13 69.929 0.127 -3.308 1.00 0.00 C ATOM 156 OE1 GLU A 13 70.337 -0.475 -4.323 1.00 0.00 O ATOM 157 OE2 GLU A 13 69.434 1.273 -3.346 1.00 0.00 O ATOM 0 H GLU A 13 68.397 -3.479 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 13 70.202 -2.799 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 13 68.204 -1.508 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 13 68.244 -0.862 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.213 0.188 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.934 -1.205 -1.969 1.00 0.00 H new ATOM 164 N LEU A 14 68.249 -2.229 1.144 1.00 0.00 N ATOM 165 CA LEU A 14 67.463 -2.450 2.361 1.00 0.00 C ATOM 166 C LEU A 14 67.188 -1.145 3.105 1.00 0.00 C ATOM 167 O LEU A 14 68.004 -0.227 3.092 1.00 0.00 O ATOM 168 CB LEU A 14 68.160 -3.425 3.326 1.00 0.00 C ATOM 169 CG LEU A 14 69.691 -3.339 3.431 1.00 0.00 C ATOM 170 CD1 LEU A 14 70.354 -4.278 2.441 1.00 0.00 C ATOM 171 CD2 LEU A 14 70.186 -1.914 3.246 1.00 0.00 C ATOM 0 H LEU A 14 68.746 -1.339 1.122 1.00 0.00 H new ATOM 0 HA LEU A 14 66.519 -2.883 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.744 -3.269 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 14 67.899 -4.440 3.027 1.00 0.00 H new ATOM 0 HG LEU A 14 69.970 -3.653 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 14 71.437 -4.199 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 14 70.045 -5.303 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 70.056 -4.008 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 14 71.273 -1.893 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 14 69.888 -1.550 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 69.753 -1.275 4.016 1.00 0.00 H new ATOM 183 N CYS A 15 66.035 -1.081 3.766 1.00 0.00 N ATOM 184 CA CYS A 15 65.653 0.098 4.525 1.00 0.00 C ATOM 185 C CYS A 15 66.510 0.180 5.794 1.00 0.00 C ATOM 186 O CYS A 15 66.111 -0.307 6.852 1.00 0.00 O ATOM 187 CB CYS A 15 64.142 0.047 4.864 1.00 0.00 C ATOM 188 SG CYS A 15 63.409 1.600 5.518 1.00 0.00 S ATOM 0 H CYS A 15 65.350 -1.836 3.789 1.00 0.00 H new ATOM 0 HA CYS A 15 65.827 0.995 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 15 63.597 -0.237 3.963 1.00 0.00 H new ATOM 0 HB3 CYS A 15 63.981 -0.744 5.597 1.00 0.00 H new ATOM 193 N ARG A 16 67.702 0.785 5.679 1.00 0.00 N ATOM 194 CA ARG A 16 68.620 0.897 6.796 1.00 0.00 C ATOM 195 C ARG A 16 68.211 2.011 7.765 1.00 0.00 C ATOM 196 O ARG A 16 67.310 1.833 8.583 1.00 0.00 O ATOM 197 CB ARG A 16 70.041 1.126 6.266 1.00 0.00 C ATOM 198 CG ARG A 16 70.822 -0.162 6.090 1.00 0.00 C ATOM 199 CD ARG A 16 72.277 0.106 5.749 1.00 0.00 C ATOM 200 NE ARG A 16 73.140 -0.043 6.918 1.00 0.00 N ATOM 201 CZ ARG A 16 74.084 -0.977 7.039 1.00 0.00 C ATOM 202 NH1 ARG A 16 74.296 -1.855 6.065 1.00 0.00 N ATOM 203 NH2 ARG A 16 74.813 -1.035 8.143 1.00 0.00 N ATOM 0 H ARG A 16 68.044 1.203 4.814 1.00 0.00 H new ATOM 0 HA ARG A 16 68.589 -0.035 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 16 69.987 1.645 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 16 70.578 1.779 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 16 70.765 -0.750 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 70.367 -0.759 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 16 72.601 -0.581 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 16 72.377 1.115 5.348 1.00 0.00 H new ATOM 0 HE ARG A 16 73.012 0.609 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 16 73.734 -1.819 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 16 75.021 -2.565 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 16 74.651 -0.367 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 16 75.536 -1.748 8.240 1.00 0.00 H new ATOM 217 N THR A 17 68.883 3.158 7.671 1.00 0.00 N ATOM 218 CA THR A 17 68.591 4.294 8.532 1.00 0.00 C ATOM 219 C THR A 17 67.259 4.919 8.138 1.00 0.00 C ATOM 220 O THR A 17 66.609 5.605 8.924 1.00 0.00 O ATOM 221 CB THR A 17 69.712 5.333 8.437 1.00 0.00 C ATOM 222 OG1 THR A 17 69.470 6.419 9.314 1.00 0.00 O ATOM 223 CG2 THR A 17 69.888 5.897 7.042 1.00 0.00 C ATOM 0 H THR A 17 69.636 3.321 7.003 1.00 0.00 H new ATOM 0 HA THR A 17 68.525 3.946 9.563 1.00 0.00 H new ATOM 0 HB THR A 17 70.622 4.801 8.714 1.00 0.00 H new ATOM 0 HG1 THR A 17 70.199 7.070 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 17 70.698 6.627 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 17 70.129 5.089 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 17 68.964 6.381 6.726 1.00 0.00 H new ATOM 231 N TYR A 18 66.870 4.648 6.903 1.00 0.00 N ATOM 232 CA TYR A 18 65.647 5.135 6.317 1.00 0.00 C ATOM 233 C TYR A 18 64.430 4.816 7.183 1.00 0.00 C ATOM 234 O TYR A 18 63.588 5.677 7.438 1.00 0.00 O ATOM 235 CB TYR A 18 65.515 4.460 4.967 1.00 0.00 C ATOM 236 CG TYR A 18 66.470 4.988 3.914 1.00 0.00 C ATOM 237 CD1 TYR A 18 67.794 5.301 4.212 1.00 0.00 C ATOM 238 CD2 TYR A 18 66.033 5.209 2.623 1.00 0.00 C ATOM 239 CE1 TYR A 18 68.642 5.806 3.248 1.00 0.00 C ATOM 240 CE2 TYR A 18 66.871 5.722 1.659 1.00 0.00 C ATOM 241 CZ TYR A 18 68.175 6.015 1.973 1.00 0.00 C ATOM 242 OH TYR A 18 69.014 6.532 1.011 1.00 0.00 O ATOM 0 H TYR A 18 67.417 4.066 6.268 1.00 0.00 H new ATOM 0 HA TYR A 18 65.685 6.221 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 18 65.682 3.390 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 18 64.493 4.584 4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 18 68.163 5.146 5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 18 65.011 4.974 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 18 69.668 6.036 3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 18 66.504 5.894 0.658 1.00 0.00 H new ATOM 0 HH TYR A 18 68.528 6.617 0.164 1.00 0.00 H new ATOM 252 N SER A 19 64.343 3.560 7.616 1.00 0.00 N ATOM 253 CA SER A 19 63.234 3.083 8.440 1.00 0.00 C ATOM 254 C SER A 19 62.960 3.984 9.647 1.00 0.00 C ATOM 255 O SER A 19 61.920 3.862 10.293 1.00 0.00 O ATOM 256 CB SER A 19 63.512 1.653 8.908 1.00 0.00 C ATOM 257 OG SER A 19 64.580 1.076 8.177 1.00 0.00 O ATOM 0 H SER A 19 65.039 2.844 7.406 1.00 0.00 H new ATOM 0 HA SER A 19 62.340 3.106 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 19 63.754 1.655 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 19 62.615 1.046 8.787 1.00 0.00 H new ATOM 0 HG SER A 19 64.265 0.821 7.285 1.00 0.00 H new ATOM 263 N GLU A 20 63.883 4.890 9.941 1.00 0.00 N ATOM 264 CA GLU A 20 63.729 5.808 11.061 1.00 0.00 C ATOM 265 C GLU A 20 63.195 7.146 10.585 1.00 0.00 C ATOM 266 O GLU A 20 63.519 8.201 11.135 1.00 0.00 O ATOM 267 CB GLU A 20 65.056 5.993 11.783 1.00 0.00 C ATOM 268 CG GLU A 20 64.959 5.655 13.251 1.00 0.00 C ATOM 269 CD GLU A 20 65.767 6.597 14.122 1.00 0.00 C ATOM 270 OE1 GLU A 20 65.424 7.796 14.175 1.00 0.00 O ATOM 271 OE2 GLU A 20 66.744 6.136 14.748 1.00 0.00 O ATOM 0 H GLU A 20 64.750 5.009 9.417 1.00 0.00 H new ATOM 0 HA GLU A 20 63.010 5.380 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 65.813 5.362 11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 20 65.388 7.025 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 20 63.914 5.688 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 65.306 4.634 13.408 1.00 0.00 H new ATOM 278 N SER A 21 62.371 7.080 9.557 1.00 0.00 N ATOM 279 CA SER A 21 61.755 8.269 8.967 1.00 0.00 C ATOM 280 C SER A 21 62.780 9.128 8.227 1.00 0.00 C ATOM 281 O SER A 21 62.514 10.286 7.909 1.00 0.00 O ATOM 282 CB SER A 21 61.063 9.101 10.053 1.00 0.00 C ATOM 283 OG SER A 21 59.691 9.287 9.754 1.00 0.00 O ATOM 0 H SER A 21 62.106 6.206 9.103 1.00 0.00 H new ATOM 0 HA SER A 21 61.015 7.931 8.242 1.00 0.00 H new ATOM 0 HB2 SER A 21 61.164 8.603 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 21 61.554 10.070 10.142 1.00 0.00 H new ATOM 0 HG SER A 21 59.271 9.819 10.462 1.00 0.00 H new ATOM 289 N GLY A 22 63.951 8.559 7.954 1.00 0.00 N ATOM 290 CA GLY A 22 64.985 9.293 7.259 1.00 0.00 C ATOM 291 C GLY A 22 64.563 9.741 5.876 1.00 0.00 C ATOM 292 O GLY A 22 64.074 10.857 5.692 1.00 0.00 O ATOM 0 H GLY A 22 64.199 7.602 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 65.262 10.166 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 22 65.874 8.668 7.177 1.00 0.00 H new ATOM 296 N ARG A 23 64.795 8.878 4.904 1.00 0.00 N ATOM 297 CA ARG A 23 64.471 9.172 3.511 1.00 0.00 C ATOM 298 C ARG A 23 63.388 8.257 2.970 1.00 0.00 C ATOM 299 O ARG A 23 62.295 8.689 2.607 1.00 0.00 O ATOM 300 CB ARG A 23 65.718 9.010 2.649 1.00 0.00 C ATOM 301 CG ARG A 23 65.574 9.540 1.232 1.00 0.00 C ATOM 302 CD ARG A 23 65.532 8.414 0.201 1.00 0.00 C ATOM 303 NE ARG A 23 64.922 8.861 -1.045 1.00 0.00 N ATOM 304 CZ ARG A 23 65.572 9.541 -1.985 1.00 0.00 C ATOM 305 NH1 ARG A 23 66.847 9.869 -1.816 1.00 0.00 N ATOM 306 NH2 ARG A 23 64.939 9.904 -3.091 1.00 0.00 N ATOM 0 H ARG A 23 65.210 7.958 5.051 1.00 0.00 H new ATOM 0 HA ARG A 23 64.104 10.198 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 66.549 9.523 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 23 65.979 7.953 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 23 64.663 10.133 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 66.407 10.206 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 23 66.544 8.058 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 23 64.969 7.571 0.602 1.00 0.00 H new ATOM 0 HE ARG A 23 63.939 8.639 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 23 67.334 9.599 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 23 67.340 10.391 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 23 63.956 9.662 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 23 65.434 10.426 -3.814 1.00 0.00 H new ATOM 320 N CYS A 24 63.733 6.993 2.912 1.00 0.00 N ATOM 321 CA CYS A 24 62.855 5.958 2.383 1.00 0.00 C ATOM 322 C CYS A 24 62.631 6.219 0.895 1.00 0.00 C ATOM 323 O CYS A 24 61.651 6.860 0.500 1.00 0.00 O ATOM 324 CB CYS A 24 61.520 5.904 3.124 1.00 0.00 C ATOM 325 SG CYS A 24 61.469 4.774 4.569 1.00 0.00 S ATOM 0 H CYS A 24 64.637 6.644 3.231 1.00 0.00 H new ATOM 0 HA CYS A 24 63.333 4.989 2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 24 61.270 6.910 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 24 60.745 5.602 2.420 1.00 0.00 H new ATOM 330 N ARG A 25 63.575 5.744 0.081 1.00 0.00 N ATOM 331 CA ARG A 25 63.538 5.931 -1.370 1.00 0.00 C ATOM 332 C ARG A 25 62.232 5.418 -1.994 1.00 0.00 C ATOM 333 O ARG A 25 61.908 5.745 -3.134 1.00 0.00 O ATOM 334 CB ARG A 25 64.766 5.257 -1.989 1.00 0.00 C ATOM 335 CG ARG A 25 64.865 5.381 -3.502 1.00 0.00 C ATOM 336 CD ARG A 25 65.623 6.638 -3.900 1.00 0.00 C ATOM 337 NE ARG A 25 65.997 6.640 -5.314 1.00 0.00 N ATOM 338 CZ ARG A 25 65.314 7.275 -6.268 1.00 0.00 C ATOM 339 NH1 ARG A 25 64.202 7.939 -5.974 1.00 0.00 N ATOM 340 NH2 ARG A 25 65.744 7.242 -7.522 1.00 0.00 N ATOM 0 H ARG A 25 64.386 5.219 0.409 1.00 0.00 H new ATOM 0 HA ARG A 25 63.566 6.999 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 25 65.663 5.687 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 25 64.755 4.200 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 25 65.369 4.505 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 25 63.865 5.404 -3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 25 65.007 7.512 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 25 66.522 6.726 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 25 66.833 6.123 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 25 63.864 7.966 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 25 63.686 8.422 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 25 66.596 6.732 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 25 65.223 7.727 -8.253 1.00 0.00 H new ATOM 354 N TYR A 26 61.479 4.643 -1.228 1.00 0.00 N ATOM 355 CA TYR A 26 60.191 4.108 -1.657 1.00 0.00 C ATOM 356 C TYR A 26 59.220 4.193 -0.485 1.00 0.00 C ATOM 357 O TYR A 26 58.582 3.210 -0.127 1.00 0.00 O ATOM 358 CB TYR A 26 60.315 2.647 -2.094 1.00 0.00 C ATOM 359 CG TYR A 26 61.157 2.404 -3.328 1.00 0.00 C ATOM 360 CD1 TYR A 26 61.165 3.299 -4.386 1.00 0.00 C ATOM 361 CD2 TYR A 26 61.936 1.259 -3.429 1.00 0.00 C ATOM 362 CE1 TYR A 26 61.927 3.061 -5.513 1.00 0.00 C ATOM 363 CE2 TYR A 26 62.699 1.015 -4.548 1.00 0.00 C ATOM 364 CZ TYR A 26 62.694 1.920 -5.589 1.00 0.00 C ATOM 365 OH TYR A 26 63.456 1.677 -6.708 1.00 0.00 O ATOM 0 H TYR A 26 61.745 4.364 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 26 59.834 4.690 -2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 26 60.738 2.074 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 26 59.315 2.254 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 26 60.566 4.196 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 26 61.943 0.548 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 26 61.921 3.766 -6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 26 63.299 0.119 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 26 63.937 0.830 -6.599 1.00 0.00 H new ATOM 375 N GLY A 27 59.112 5.381 0.103 1.00 0.00 N ATOM 376 CA GLY A 27 58.229 5.580 1.246 1.00 0.00 C ATOM 377 C GLY A 27 56.914 4.823 1.149 1.00 0.00 C ATOM 378 O GLY A 27 56.128 5.033 0.226 1.00 0.00 O ATOM 0 H GLY A 27 59.621 6.214 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 27 58.749 5.270 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 27 58.017 6.644 1.348 1.00 0.00 H new ATOM 382 N ALA A 28 56.692 3.922 2.111 1.00 0.00 N ATOM 383 CA ALA A 28 55.480 3.103 2.164 1.00 0.00 C ATOM 384 C ALA A 28 55.507 1.975 1.134 1.00 0.00 C ATOM 385 O ALA A 28 54.714 1.036 1.205 1.00 0.00 O ATOM 386 CB ALA A 28 54.241 3.971 1.974 1.00 0.00 C ATOM 0 H ALA A 28 57.346 3.741 2.872 1.00 0.00 H new ATOM 0 HA ALA A 28 55.441 2.642 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 28 53.349 3.346 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 28 54.197 4.720 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 28 54.290 4.468 1.005 1.00 0.00 H new ATOM 392 N LYS A 29 56.417 2.082 0.180 1.00 0.00 N ATOM 393 CA LYS A 29 56.560 1.106 -0.865 1.00 0.00 C ATOM 394 C LYS A 29 57.983 0.570 -0.929 1.00 0.00 C ATOM 395 O LYS A 29 58.390 0.009 -1.947 1.00 0.00 O ATOM 396 CB LYS A 29 56.210 1.751 -2.196 1.00 0.00 C ATOM 397 CG LYS A 29 55.458 0.826 -3.114 1.00 0.00 C ATOM 398 CD LYS A 29 54.125 1.421 -3.530 1.00 0.00 C ATOM 399 CE LYS A 29 53.080 1.271 -2.435 1.00 0.00 C ATOM 400 NZ LYS A 29 51.723 1.678 -2.894 1.00 0.00 N ATOM 0 H LYS A 29 57.077 2.857 0.117 1.00 0.00 H new ATOM 0 HA LYS A 29 55.889 0.273 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 29 55.610 2.643 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.126 2.078 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 29 56.059 0.622 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 55.292 -0.129 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 29 54.255 2.477 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.774 0.931 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.053 0.234 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.368 1.876 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 51.043 1.559 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 51.741 2.675 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.436 1.084 -3.698 1.00 0.00 H new ATOM 414 N CYS A 30 58.758 0.774 0.136 1.00 0.00 N ATOM 415 CA CYS A 30 60.151 0.347 0.130 1.00 0.00 C ATOM 416 C CYS A 30 60.355 -1.104 0.505 1.00 0.00 C ATOM 417 O CYS A 30 59.822 -1.605 1.495 1.00 0.00 O ATOM 418 CB CYS A 30 61.002 1.229 1.033 1.00 0.00 C ATOM 419 SG CYS A 30 60.506 1.253 2.788 1.00 0.00 S ATOM 0 H CYS A 30 58.450 1.224 0.998 1.00 0.00 H new ATOM 0 HA CYS A 30 60.472 0.454 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 30 62.037 0.894 0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 30 60.973 2.249 0.650 1.00 0.00 H new ATOM 424 N GLN A 31 61.160 -1.755 -0.315 1.00 0.00 N ATOM 425 CA GLN A 31 61.514 -3.144 -0.132 1.00 0.00 C ATOM 426 C GLN A 31 63.023 -3.326 -0.242 1.00 0.00 C ATOM 427 O GLN A 31 63.569 -4.342 0.187 1.00 0.00 O ATOM 428 CB GLN A 31 60.804 -4.009 -1.163 1.00 0.00 C ATOM 429 CG GLN A 31 59.886 -5.039 -0.544 1.00 0.00 C ATOM 430 CD GLN A 31 58.744 -5.427 -1.461 1.00 0.00 C ATOM 431 OE1 GLN A 31 57.907 -4.597 -1.810 1.00 0.00 O ATOM 432 NE2 GLN A 31 58.709 -6.692 -1.857 1.00 0.00 N ATOM 0 H GLN A 31 61.589 -1.326 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 31 61.197 -3.455 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.225 -3.369 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.548 -4.517 -1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 31 60.462 -5.929 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 31 59.481 -4.646 0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 31 59.426 -7.345 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 31 57.965 -7.012 -2.477 1.00 0.00 H new ATOM 441 N PHE A 32 63.692 -2.331 -0.820 1.00 0.00 N ATOM 442 CA PHE A 32 65.129 -2.397 -0.996 1.00 0.00 C ATOM 443 C PHE A 32 65.775 -1.021 -1.158 1.00 0.00 C ATOM 444 O PHE A 32 66.280 -0.452 -0.192 1.00 0.00 O ATOM 445 CB PHE A 32 65.461 -3.232 -2.219 1.00 0.00 C ATOM 446 CG PHE A 32 65.210 -4.694 -2.054 1.00 0.00 C ATOM 447 CD1 PHE A 32 63.973 -5.228 -2.359 1.00 0.00 C ATOM 448 CD2 PHE A 32 66.223 -5.535 -1.638 1.00 0.00 C ATOM 449 CE1 PHE A 32 63.748 -6.587 -2.250 1.00 0.00 C ATOM 450 CE2 PHE A 32 66.007 -6.893 -1.520 1.00 0.00 C ATOM 451 CZ PHE A 32 64.767 -7.422 -1.830 1.00 0.00 C ATOM 0 H PHE A 32 63.259 -1.477 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 32 65.531 -2.850 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 32 64.874 -2.868 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 32 66.511 -3.082 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 32 63.175 -4.578 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 32 67.194 -5.126 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 32 62.778 -6.996 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 66.804 -7.541 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 32 64.595 -8.485 -1.744 1.00 0.00 H new ATOM 461 N ALA A 33 65.796 -0.521 -2.405 1.00 0.00 N ATOM 462 CA ALA A 33 66.422 0.764 -2.733 1.00 0.00 C ATOM 463 C ALA A 33 66.294 1.763 -1.595 1.00 0.00 C ATOM 464 O ALA A 33 65.225 2.310 -1.366 1.00 0.00 O ATOM 465 CB ALA A 33 65.827 1.336 -4.011 1.00 0.00 C ATOM 0 H ALA A 33 65.381 -0.995 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 33 67.485 0.579 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 66.303 2.290 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 33 65.995 0.641 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 33 64.756 1.488 -3.877 1.00 0.00 H new ATOM 471 N HIS A 34 67.400 1.990 -0.894 1.00 0.00 N ATOM 472 CA HIS A 34 67.426 2.913 0.237 1.00 0.00 C ATOM 473 C HIS A 34 68.894 3.318 0.561 1.00 0.00 C ATOM 474 O HIS A 34 69.682 3.541 -0.356 1.00 0.00 O ATOM 475 CB HIS A 34 66.748 2.222 1.427 1.00 0.00 C ATOM 476 CG HIS A 34 65.317 2.573 1.660 1.00 0.00 C ATOM 477 ND1 HIS A 34 64.385 2.919 0.706 1.00 0.00 N ATOM 478 CD2 HIS A 34 64.672 2.611 2.830 1.00 0.00 C ATOM 479 CE1 HIS A 34 63.225 3.146 1.349 1.00 0.00 C ATOM 480 NE2 HIS A 34 63.366 2.960 2.644 1.00 0.00 N ATOM 0 H HIS A 34 68.296 1.544 -1.091 1.00 0.00 H new ATOM 0 HA HIS A 34 66.887 3.831 0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 34 66.818 1.144 1.283 1.00 0.00 H new ATOM 0 HB3 HIS A 34 67.311 2.461 2.329 1.00 0.00 H new ATOM 0 HD1 HIS A 34 64.544 2.990 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 34 65.121 2.396 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 34 62.304 3.441 0.868 1.00 0.00 H new ATOM 488 N GLY A 35 69.256 3.412 1.856 1.00 0.00 N ATOM 489 CA GLY A 35 70.598 3.784 2.263 1.00 0.00 C ATOM 490 C GLY A 35 71.693 2.980 1.588 1.00 0.00 C ATOM 491 O GLY A 35 71.907 3.082 0.379 1.00 0.00 O ATOM 0 H GLY A 35 68.621 3.231 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 35 70.752 4.841 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 70.686 3.663 3.343 1.00 0.00 H new ATOM 495 N LEU A 36 72.394 2.186 2.388 1.00 0.00 N ATOM 496 CA LEU A 36 73.491 1.357 1.902 1.00 0.00 C ATOM 497 C LEU A 36 73.002 0.318 0.897 1.00 0.00 C ATOM 498 O LEU A 36 73.208 0.457 -0.308 1.00 0.00 O ATOM 499 CB LEU A 36 74.172 0.663 3.084 1.00 0.00 C ATOM 500 CG LEU A 36 75.673 0.428 2.924 1.00 0.00 C ATOM 501 CD1 LEU A 36 76.449 1.277 3.915 1.00 0.00 C ATOM 502 CD2 LEU A 36 76.000 -1.049 3.107 1.00 0.00 C ATOM 0 H LEU A 36 72.219 2.098 3.389 1.00 0.00 H new ATOM 0 HA LEU A 36 74.207 2.002 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 36 74.008 1.262 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 36 73.686 -0.298 3.250 1.00 0.00 H new ATOM 0 HG LEU A 36 75.968 0.722 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 36 77.517 1.099 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 76.234 2.331 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 36 76.154 1.012 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 36 77.073 -1.201 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 36 75.694 -1.369 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 36 75.467 -1.635 2.359 1.00 0.00 H new ATOM 514 N GLY A 37 72.348 -0.719 1.408 1.00 0.00 N ATOM 515 CA GLY A 37 71.832 -1.777 0.566 1.00 0.00 C ATOM 516 C GLY A 37 72.845 -2.331 -0.410 1.00 0.00 C ATOM 517 O GLY A 37 72.842 -1.997 -1.595 1.00 0.00 O ATOM 0 H GLY A 37 72.165 -0.844 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 37 71.470 -2.588 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 37 70.974 -1.400 0.009 1.00 0.00 H new ATOM 521 N GLU A 38 73.698 -3.196 0.097 1.00 0.00 N ATOM 522 CA GLU A 38 74.718 -3.837 -0.717 1.00 0.00 C ATOM 523 C GLU A 38 74.756 -5.325 -0.412 1.00 0.00 C ATOM 524 O GLU A 38 75.825 -5.929 -0.322 1.00 0.00 O ATOM 525 CB GLU A 38 76.089 -3.210 -0.463 1.00 0.00 C ATOM 526 CG GLU A 38 76.074 -1.692 -0.474 1.00 0.00 C ATOM 527 CD GLU A 38 77.304 -1.100 -1.130 1.00 0.00 C ATOM 528 OE1 GLU A 38 78.427 -1.484 -0.740 1.00 0.00 O ATOM 529 OE2 GLU A 38 77.147 -0.250 -2.031 1.00 0.00 O ATOM 0 H GLU A 38 73.707 -3.476 1.078 1.00 0.00 H new ATOM 0 HA GLU A 38 74.468 -3.691 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.464 -3.554 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 38 76.787 -3.564 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.184 -1.345 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 38 76.002 -1.326 0.550 1.00 0.00 H new ATOM 536 N LEU A 39 73.575 -5.906 -0.225 1.00 0.00 N ATOM 537 CA LEU A 39 73.465 -7.333 0.099 1.00 0.00 C ATOM 538 C LEU A 39 74.189 -8.195 -0.921 1.00 0.00 C ATOM 539 O LEU A 39 74.938 -9.108 -0.572 1.00 0.00 O ATOM 540 CB LEU A 39 72.002 -7.764 0.193 1.00 0.00 C ATOM 541 CG LEU A 39 71.218 -7.116 1.323 1.00 0.00 C ATOM 542 CD1 LEU A 39 69.745 -7.011 0.958 1.00 0.00 C ATOM 543 CD2 LEU A 39 71.396 -7.899 2.616 1.00 0.00 C ATOM 0 H LEU A 39 72.682 -5.418 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 39 73.939 -7.477 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 39 71.509 -7.534 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 71.964 -8.846 0.317 1.00 0.00 H new ATOM 0 HG LEU A 39 71.606 -6.109 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 39 69.199 -6.545 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 69.635 -6.405 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 39 69.344 -8.008 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 39 70.827 -7.420 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 39 71.037 -8.919 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 39 72.452 -7.920 2.886 1.00 0.00 H new ATOM 555 N ARG A 40 73.954 -7.887 -2.177 1.00 0.00 N ATOM 556 CA ARG A 40 74.569 -8.613 -3.286 1.00 0.00 C ATOM 557 C ARG A 40 75.746 -7.831 -3.857 1.00 0.00 C ATOM 558 O ARG A 40 75.976 -7.829 -5.065 1.00 0.00 O ATOM 559 CB ARG A 40 73.530 -8.901 -4.374 1.00 0.00 C ATOM 560 CG ARG A 40 73.213 -7.707 -5.256 1.00 0.00 C ATOM 561 CD ARG A 40 73.710 -7.918 -6.676 1.00 0.00 C ATOM 562 NE ARG A 40 73.954 -6.653 -7.370 1.00 0.00 N ATOM 563 CZ ARG A 40 73.731 -6.460 -8.671 1.00 0.00 C ATOM 564 NH1 ARG A 40 73.265 -7.446 -9.430 1.00 0.00 N ATOM 565 NH2 ARG A 40 73.975 -5.278 -9.218 1.00 0.00 N ATOM 0 H ARG A 40 73.335 -7.130 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 40 74.947 -9.563 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 40 73.891 -9.717 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 40 72.610 -9.245 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.136 -7.537 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.673 -6.812 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.630 -8.502 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 40 72.976 -8.500 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 40 74.317 -5.871 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 40 73.075 -8.360 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 40 73.098 -7.289 -10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 40 74.334 -4.515 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 40 73.804 -5.131 -10.213 1.00 0.00 H new ATOM 579 N GLN A 41 76.492 -7.179 -2.970 1.00 0.00 N ATOM 580 CA GLN A 41 77.647 -6.397 -3.355 1.00 0.00 C ATOM 581 C GLN A 41 78.665 -6.348 -2.217 1.00 0.00 C ATOM 582 O GLN A 41 79.606 -5.553 -2.247 1.00 0.00 O ATOM 583 CB GLN A 41 77.234 -4.971 -3.730 1.00 0.00 C ATOM 584 CG GLN A 41 76.399 -4.874 -4.997 1.00 0.00 C ATOM 585 CD GLN A 41 77.238 -4.640 -6.238 1.00 0.00 C ATOM 586 OE1 GLN A 41 78.460 -4.781 -6.213 1.00 0.00 O ATOM 587 NE2 GLN A 41 76.580 -4.276 -7.331 1.00 0.00 N ATOM 0 H GLN A 41 76.307 -7.182 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 41 78.102 -6.876 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 41 76.670 -4.539 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 41 78.132 -4.366 -3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 41 75.826 -5.793 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 41 75.680 -4.061 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 75.566 -4.172 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 41 77.088 -4.101 -8.198 1.00 0.00 H new ATOM 596 N ALA A 42 78.474 -7.206 -1.216 1.00 0.00 N ATOM 597 CA ALA A 42 79.373 -7.262 -0.074 1.00 0.00 C ATOM 598 C ALA A 42 78.928 -8.304 0.956 1.00 0.00 C ATOM 599 O ALA A 42 79.736 -8.782 1.751 1.00 0.00 O ATOM 600 CB ALA A 42 79.493 -5.892 0.581 1.00 0.00 C ATOM 0 H ALA A 42 77.702 -7.871 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 42 80.351 -7.565 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 80.170 -5.954 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 42 79.885 -5.176 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 42 78.511 -5.564 0.921 1.00 0.00 H new ATOM 606 N ASN A 43 77.641 -8.654 0.939 1.00 0.00 N ATOM 607 CA ASN A 43 77.107 -9.639 1.875 1.00 0.00 C ATOM 608 C ASN A 43 77.292 -11.056 1.340 1.00 0.00 C ATOM 609 O ASN A 43 76.409 -11.523 0.588 1.00 0.00 O ATOM 610 CB ASN A 43 75.624 -9.367 2.138 1.00 0.00 C ATOM 611 CG ASN A 43 75.291 -9.336 3.615 1.00 0.00 C ATOM 612 OD1 ASN A 43 74.427 -10.075 4.085 1.00 0.00 O ATOM 613 ND2 ASN A 43 75.976 -8.474 4.359 1.00 0.00 N ATOM 0 H ASN A 43 76.954 -8.271 0.290 1.00 0.00 H new ATOM 0 HA ASN A 43 77.658 -9.552 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 43 75.348 -8.414 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 43 75.025 -10.136 1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 43 75.794 -8.407 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 43 76.684 -7.879 3.929 1.00 0.00 H new TER 620 ASN A 43 HETATM 621 ZN ZN A 78 61.939 2.587 3.977 1.00 0.00 ZN