USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 166:sc= 1.61 (180deg=-0.332!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.78 K(o=2.4,f=-3.9) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 21 THR OG1 : rot -39:sc= 1.13 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 80:sc= -1.69! USER MOD Single : A 17 THR OG1 : rot -40:sc= 1.34 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 27 SER OG : rot 69:sc= 1.23 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 35 SER OG : rot 41:sc= 0.442 USER MOD Single : A 53 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= -0.436! (180deg=-1.31!) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= 1.83 (180deg=1.34) USER MOD Single : A 60 MET CE :methyl 144:sc=-0.00421 (180deg=-0.241) USER MOD Single : A 67 MET CE :methyl 152:sc= 0 (180deg=-1.25) USER MOD Single : A 68 ASN : amide:sc= 0.874 K(o=0.87,f=-0.011) USER MOD Single : A 70 GLN : amide:sc= 0.926 K(o=0.93,f=-6.4!) USER MOD Single : A 76 ASN : amide:sc= 1.78 K(o=1.8,f=-2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0844 X(o=-0.084,f=0.0051) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 11.721 8.374 -0.276 1.00 0.00 N ATOM 69 CA GLU A 5 10.696 7.405 -0.040 1.00 0.00 C ATOM 70 C GLU A 5 9.910 6.974 -1.269 1.00 0.00 C ATOM 71 O GLU A 5 9.809 7.700 -2.267 1.00 0.00 O ATOM 72 CB GLU A 5 9.745 7.827 1.093 1.00 0.00 C ATOM 73 CG GLU A 5 9.423 9.302 1.186 1.00 0.00 C ATOM 74 CD GLU A 5 10.497 10.079 1.929 1.00 0.00 C ATOM 75 OE1 GLU A 5 11.498 10.481 1.314 1.00 0.00 O ATOM 76 OE2 GLU A 5 10.391 10.237 3.146 1.00 0.00 O1- ATOM 0 HA GLU A 5 11.250 6.520 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.810 7.280 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.182 7.512 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.310 9.711 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.467 9.432 1.693 1.00 0.00 H new ATOM 83 N TYR A 6 9.349 5.790 -1.165 1.00 0.00 N ATOM 84 CA TYR A 6 8.530 5.201 -2.192 1.00 0.00 C ATOM 85 C TYR A 6 7.224 4.787 -1.620 1.00 0.00 C ATOM 86 O TYR A 6 7.105 4.566 -0.419 1.00 0.00 O ATOM 87 CB TYR A 6 9.193 4.043 -2.895 1.00 0.00 C ATOM 88 CG TYR A 6 10.261 4.458 -3.853 1.00 0.00 C ATOM 89 CD1 TYR A 6 9.936 5.162 -5.003 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.578 4.162 -3.617 1.00 0.00 C ATOM 91 CE1 TYR A 6 10.900 5.558 -5.892 1.00 0.00 C ATOM 92 CE2 TYR A 6 12.552 4.548 -4.492 1.00 0.00 C ATOM 93 CZ TYR A 6 12.218 5.247 -5.628 1.00 0.00 C ATOM 94 OH TYR A 6 13.208 5.634 -6.494 1.00 0.00 O ATOM 0 H TYR A 6 9.455 5.198 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 6 8.375 5.967 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.625 3.375 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.435 3.473 -3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.902 5.403 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.849 3.615 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.633 6.104 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.585 4.304 -4.292 1.00 0.00 H new ATOM 0 HH TYR A 6 14.076 5.333 -6.154 1.00 0.00 H new ATOM 104 N ARG A 7 6.247 4.696 -2.441 1.00 0.00 N ATOM 105 CA ARG A 7 4.932 4.440 -1.982 1.00 0.00 C ATOM 106 C ARG A 7 4.273 3.495 -2.924 1.00 0.00 C ATOM 107 O ARG A 7 4.386 3.634 -4.101 1.00 0.00 O ATOM 108 CB ARG A 7 4.185 5.763 -1.887 1.00 0.00 C ATOM 109 CG ARG A 7 2.759 5.718 -1.361 1.00 0.00 C ATOM 110 CD ARG A 7 2.186 7.143 -1.271 1.00 0.00 C ATOM 111 NE ARG A 7 2.128 7.810 -2.603 1.00 0.00 N ATOM 112 CZ ARG A 7 3.089 8.625 -3.107 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.150 8.957 -2.360 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 2.979 9.115 -4.348 1.00 0.00 N ATOM 0 H ARG A 7 6.334 4.797 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 7 4.937 3.981 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.761 6.431 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.165 6.212 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.139 5.109 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.740 5.247 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.185 7.104 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.800 7.738 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 7 1.304 7.641 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.237 8.597 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.871 9.570 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.169 8.876 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.705 9.727 -4.721 1.00 0.00 H new ATOM 128 N CYS A 8 3.606 2.559 -2.410 1.00 0.00 N ATOM 129 CA CYS A 8 2.970 1.581 -3.199 1.00 0.00 C ATOM 130 C CYS A 8 1.516 1.918 -3.364 1.00 0.00 C ATOM 131 O CYS A 8 0.838 2.294 -2.407 1.00 0.00 O ATOM 132 CB CYS A 8 3.145 0.199 -2.582 1.00 0.00 C ATOM 133 SG CYS A 8 4.868 -0.309 -2.418 1.00 0.00 S ATOM 0 H CYS A 8 3.477 2.438 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 8 3.433 1.567 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.677 0.188 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.617 -0.532 -3.194 1.00 0.00 H new ATOM 0 HG CYS A 8 5.386 0.248 -1.364 1.00 0.00 H new ATOM 139 N PHE A 9 1.082 1.845 -4.575 1.00 0.00 N ATOM 140 CA PHE A 9 -0.277 2.021 -4.946 1.00 0.00 C ATOM 141 C PHE A 9 -0.892 0.651 -4.940 1.00 0.00 C ATOM 142 O PHE A 9 -0.523 -0.211 -5.760 1.00 0.00 O ATOM 143 CB PHE A 9 -0.354 2.647 -6.360 1.00 0.00 C ATOM 144 CG PHE A 9 -1.746 2.737 -6.964 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.568 3.816 -6.708 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.210 1.739 -7.808 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.824 3.898 -7.275 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.466 1.812 -8.377 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.274 2.895 -8.109 1.00 0.00 C ATOM 0 H PHE A 9 1.694 1.652 -5.368 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.802 2.688 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.069 3.651 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.277 2.064 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.224 4.606 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.578 0.890 -8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.456 4.749 -7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.813 1.024 -9.029 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.257 2.959 -8.551 1.00 0.00 H new ATOM 159 N VAL A 10 -1.737 0.404 -3.997 1.00 0.00 N ATOM 160 CA VAL A 10 -2.374 -0.860 -3.932 1.00 0.00 C ATOM 161 C VAL A 10 -3.807 -0.662 -4.333 1.00 0.00 C ATOM 162 O VAL A 10 -4.568 -0.007 -3.634 1.00 0.00 O ATOM 163 CB VAL A 10 -2.316 -1.473 -2.507 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.839 -2.900 -2.518 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.904 -1.418 -1.934 1.00 0.00 C ATOM 0 H VAL A 10 -2.000 1.062 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.859 -1.553 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.957 -0.875 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.791 -3.313 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.873 -2.906 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.229 -3.506 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.899 -1.855 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.228 -1.979 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.575 -0.381 -1.877 1.00 0.00 H new ATOM 175 N GLY A 11 -4.158 -1.215 -5.440 1.00 0.00 N ATOM 176 CA GLY A 11 -5.484 -1.103 -5.940 1.00 0.00 C ATOM 177 C GLY A 11 -6.166 -2.425 -5.932 1.00 0.00 C ATOM 178 O GLY A 11 -5.526 -3.461 -6.163 1.00 0.00 O ATOM 0 H GLY A 11 -3.530 -1.762 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.048 -0.395 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.462 -0.706 -6.955 1.00 0.00 H new ATOM 182 N GLY A 12 -7.433 -2.416 -5.647 1.00 0.00 N ATOM 183 CA GLY A 12 -8.173 -3.628 -5.618 1.00 0.00 C ATOM 184 C GLY A 12 -8.176 -4.212 -4.243 1.00 0.00 C ATOM 185 O GLY A 12 -7.894 -5.377 -4.070 1.00 0.00 O ATOM 0 H GLY A 12 -7.972 -1.577 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.197 -3.442 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.741 -4.341 -6.320 1.00 0.00 H new ATOM 189 N LEU A 13 -8.468 -3.381 -3.278 1.00 0.00 N ATOM 190 CA LEU A 13 -8.559 -3.787 -1.891 1.00 0.00 C ATOM 191 C LEU A 13 -9.983 -4.186 -1.588 1.00 0.00 C ATOM 192 O LEU A 13 -10.873 -4.047 -2.444 1.00 0.00 O ATOM 193 CB LEU A 13 -8.152 -2.634 -0.961 1.00 0.00 C ATOM 194 CG LEU A 13 -6.699 -2.161 -1.039 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.500 -0.957 -0.159 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.763 -3.259 -0.599 1.00 0.00 C ATOM 0 H LEU A 13 -8.653 -2.389 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.885 -4.627 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.798 -1.782 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.355 -2.939 0.066 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.479 -1.897 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.463 -0.628 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.156 -0.152 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.737 -1.217 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.734 -2.906 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.989 -3.540 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.889 -4.126 -1.248 1.00 0.00 H new ATOM 208 N ALA A 14 -10.216 -4.670 -0.401 1.00 0.00 N ATOM 209 CA ALA A 14 -11.536 -5.022 -0.008 1.00 0.00 C ATOM 210 C ALA A 14 -12.144 -3.847 0.718 1.00 0.00 C ATOM 211 O ALA A 14 -11.458 -2.869 1.028 1.00 0.00 O ATOM 212 CB ALA A 14 -11.534 -6.263 0.865 1.00 0.00 C ATOM 0 H ALA A 14 -9.501 -4.828 0.309 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.132 -5.258 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.557 -6.509 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.102 -7.097 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.942 -6.077 1.761 1.00 0.00 H new ATOM 218 N TRP A 15 -13.413 -3.924 0.995 1.00 0.00 N ATOM 219 CA TRP A 15 -14.088 -2.827 1.657 1.00 0.00 C ATOM 220 C TRP A 15 -13.789 -2.830 3.150 1.00 0.00 C ATOM 221 O TRP A 15 -13.951 -1.820 3.824 1.00 0.00 O ATOM 222 CB TRP A 15 -15.600 -2.880 1.403 1.00 0.00 C ATOM 223 CG TRP A 15 -15.959 -2.983 -0.057 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.692 -3.970 -0.645 1.00 0.00 C ATOM 225 CD2 TRP A 15 -15.566 -2.093 -1.121 1.00 0.00 C ATOM 226 NE1 TRP A 15 -16.798 -3.740 -1.996 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.115 -2.602 -2.313 1.00 0.00 C ATOM 228 CE3 TRP A 15 -14.814 -0.918 -1.178 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -15.932 -1.978 -3.543 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -14.633 -0.303 -2.400 1.00 0.00 C ATOM 231 CH2 TRP A 15 -15.189 -0.832 -3.566 1.00 0.00 C ATOM 0 H TRP A 15 -14.005 -4.726 0.778 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.709 -1.895 1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.020 -3.734 1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.063 -1.986 1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -17.127 -4.811 -0.125 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.307 -4.327 -2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.382 -0.498 -0.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.362 -2.385 -4.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.050 0.605 -2.455 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.028 -0.325 -4.506 1.00 0.00 H new ATOM 242 N ALA A 16 -13.313 -3.960 3.642 1.00 0.00 N ATOM 243 CA ALA A 16 -13.037 -4.130 5.056 1.00 0.00 C ATOM 244 C ALA A 16 -11.561 -3.916 5.369 1.00 0.00 C ATOM 245 O ALA A 16 -11.170 -3.916 6.536 1.00 0.00 O ATOM 246 CB ALA A 16 -13.480 -5.512 5.512 1.00 0.00 C ATOM 0 H ALA A 16 -13.108 -4.782 3.074 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.603 -3.374 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.268 -5.630 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.550 -5.626 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.939 -6.272 4.948 1.00 0.00 H new ATOM 252 N THR A 17 -10.760 -3.722 4.332 1.00 0.00 N ATOM 253 CA THR A 17 -9.341 -3.532 4.497 1.00 0.00 C ATOM 254 C THR A 17 -9.068 -2.224 5.250 1.00 0.00 C ATOM 255 O THR A 17 -9.451 -1.142 4.800 1.00 0.00 O ATOM 256 CB THR A 17 -8.640 -3.514 3.118 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.026 -4.691 2.385 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.123 -3.518 3.285 1.00 0.00 C ATOM 0 H THR A 17 -11.079 -3.693 3.364 1.00 0.00 H new ATOM 0 HA THR A 17 -8.941 -4.361 5.080 1.00 0.00 H new ATOM 0 HB THR A 17 -8.936 -2.611 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.049 -5.461 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.649 -3.505 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.817 -2.636 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.819 -4.416 3.823 1.00 0.00 H new ATOM 266 N THR A 18 -8.442 -2.341 6.398 1.00 0.00 N ATOM 267 CA THR A 18 -8.148 -1.201 7.225 1.00 0.00 C ATOM 268 C THR A 18 -6.735 -0.791 7.064 1.00 0.00 C ATOM 269 O THR A 18 -5.869 -1.567 6.615 1.00 0.00 O ATOM 270 CB THR A 18 -8.458 -1.459 8.719 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.630 -2.519 9.222 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.925 -1.815 8.924 1.00 0.00 C ATOM 0 H THR A 18 -8.123 -3.231 6.782 1.00 0.00 H new ATOM 0 HA THR A 18 -8.799 -0.393 6.891 1.00 0.00 H new ATOM 0 HB THR A 18 -8.246 -0.541 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.834 -2.672 10.168 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.112 -1.991 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.551 -0.993 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.163 -2.716 8.359 1.00 0.00 H new ATOM 280 N ASP A 19 -6.509 0.427 7.443 1.00 0.00 N ATOM 281 CA ASP A 19 -5.243 1.075 7.343 1.00 0.00 C ATOM 282 C ASP A 19 -4.192 0.354 8.163 1.00 0.00 C ATOM 283 O ASP A 19 -3.022 0.307 7.786 1.00 0.00 O ATOM 284 CB ASP A 19 -5.359 2.492 7.849 1.00 0.00 C ATOM 285 CG ASP A 19 -6.462 3.302 7.219 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.364 3.650 6.043 1.00 0.00 O ATOM 287 OD2 ASP A 19 -7.420 3.655 7.904 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.233 1.021 7.847 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.943 1.065 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.518 2.466 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.411 3.002 7.679 1.00 0.00 H new ATOM 292 N GLN A 20 -4.631 -0.258 9.261 1.00 0.00 N ATOM 293 CA GLN A 20 -3.731 -0.925 10.172 1.00 0.00 C ATOM 294 C GLN A 20 -3.172 -2.137 9.488 1.00 0.00 C ATOM 295 O GLN A 20 -1.976 -2.262 9.317 1.00 0.00 O ATOM 296 CB GLN A 20 -4.466 -1.359 11.445 1.00 0.00 C ATOM 297 CG GLN A 20 -3.535 -1.849 12.555 1.00 0.00 C ATOM 298 CD GLN A 20 -4.274 -2.418 13.758 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.337 -3.144 13.518 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 -3.834 -2.271 14.891 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.613 -0.300 9.534 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.933 -0.237 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.053 -0.520 11.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.169 -2.154 11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.871 -2.613 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.906 -1.021 12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.004 -1.699 15.045 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.298 -2.721 15.680 1.00 0.00 H new ATOM 309 N THR A 21 -4.068 -2.982 9.034 1.00 0.00 N ATOM 310 CA THR A 21 -3.761 -4.206 8.408 1.00 0.00 C ATOM 311 C THR A 21 -2.999 -4.014 7.091 1.00 0.00 C ATOM 312 O THR A 21 -2.194 -4.868 6.690 1.00 0.00 O ATOM 313 CB THR A 21 -5.070 -4.929 8.233 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.756 -4.811 9.494 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.834 -6.368 7.964 1.00 0.00 C ATOM 0 H THR A 21 -5.071 -2.809 9.104 1.00 0.00 H new ATOM 0 HA THR A 21 -3.080 -4.798 9.020 1.00 0.00 H new ATOM 0 HB THR A 21 -5.637 -4.510 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.113 -4.908 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.790 -6.877 7.840 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.245 -6.476 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.293 -6.811 8.801 1.00 0.00 H new ATOM 323 N LEU A 22 -3.223 -2.878 6.443 1.00 0.00 N ATOM 324 CA LEU A 22 -2.468 -2.523 5.264 1.00 0.00 C ATOM 325 C LEU A 22 -0.996 -2.367 5.668 1.00 0.00 C ATOM 326 O LEU A 22 -0.096 -2.906 5.023 1.00 0.00 O ATOM 327 CB LEU A 22 -2.993 -1.214 4.671 1.00 0.00 C ATOM 328 CG LEU A 22 -2.374 -0.780 3.342 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.754 -1.739 2.219 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.771 0.644 3.001 1.00 0.00 C ATOM 0 H LEU A 22 -3.924 -2.191 6.720 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.570 -3.301 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.070 -1.308 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.833 -0.419 5.399 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.290 -0.811 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.300 -1.405 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.396 -2.740 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.838 -1.758 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.319 0.930 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.856 0.710 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.424 1.316 3.786 1.00 0.00 H new ATOM 342 N GLY A 23 -0.777 -1.666 6.771 1.00 0.00 N ATOM 343 CA GLY A 23 0.553 -1.487 7.298 1.00 0.00 C ATOM 344 C GLY A 23 1.132 -2.793 7.814 1.00 0.00 C ATOM 345 O GLY A 23 2.278 -3.122 7.503 1.00 0.00 O ATOM 0 H GLY A 23 -1.512 -1.213 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.201 -1.083 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.529 -0.755 8.105 1.00 0.00 H new ATOM 349 N GLU A 24 0.315 -3.554 8.563 1.00 0.00 N ATOM 350 CA GLU A 24 0.702 -4.853 9.156 1.00 0.00 C ATOM 351 C GLU A 24 1.307 -5.766 8.097 1.00 0.00 C ATOM 352 O GLU A 24 2.388 -6.336 8.281 1.00 0.00 O ATOM 353 CB GLU A 24 -0.524 -5.562 9.778 1.00 0.00 C ATOM 354 CG GLU A 24 -1.183 -4.840 10.958 1.00 0.00 C ATOM 355 CD GLU A 24 -2.433 -5.563 11.470 1.00 0.00 C ATOM 356 OE1 GLU A 24 -2.285 -6.597 12.126 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -3.579 -5.092 11.178 1.00 0.00 O ATOM 0 H GLU A 24 -0.645 -3.284 8.778 1.00 0.00 H new ATOM 0 HA GLU A 24 1.439 -4.652 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.273 -5.703 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.217 -6.554 10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.463 -4.749 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.452 -3.828 10.655 1.00 0.00 H new ATOM 364 N ALA A 25 0.624 -5.852 6.972 1.00 0.00 N ATOM 365 CA ALA A 25 1.022 -6.693 5.866 1.00 0.00 C ATOM 366 C ALA A 25 2.386 -6.295 5.290 1.00 0.00 C ATOM 367 O ALA A 25 3.229 -7.152 5.019 1.00 0.00 O ATOM 368 CB ALA A 25 -0.042 -6.643 4.783 1.00 0.00 C ATOM 0 H ALA A 25 -0.236 -5.331 6.801 1.00 0.00 H new ATOM 0 HA ALA A 25 1.122 -7.711 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.258 -7.277 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.990 -6.999 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.159 -5.617 4.435 1.00 0.00 H new ATOM 374 N PHE A 26 2.616 -5.010 5.138 1.00 0.00 N ATOM 375 CA PHE A 26 3.838 -4.546 4.507 1.00 0.00 C ATOM 376 C PHE A 26 5.001 -4.352 5.476 1.00 0.00 C ATOM 377 O PHE A 26 6.146 -4.187 5.044 1.00 0.00 O ATOM 378 CB PHE A 26 3.611 -3.311 3.647 1.00 0.00 C ATOM 379 CG PHE A 26 2.740 -3.566 2.433 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.300 -3.999 1.245 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.371 -3.376 2.481 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.516 -4.239 0.131 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.580 -3.612 1.373 1.00 0.00 C ATOM 384 CZ PHE A 26 1.153 -4.044 0.197 1.00 0.00 C ATOM 0 H PHE A 26 1.981 -4.271 5.439 1.00 0.00 H new ATOM 0 HA PHE A 26 4.138 -5.358 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.150 -2.534 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.576 -2.927 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.367 -4.152 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.913 -3.038 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.971 -4.578 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.487 -3.458 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.536 -4.229 -0.670 1.00 0.00 H new ATOM 394 N SER A 27 4.722 -4.413 6.773 1.00 0.00 N ATOM 395 CA SER A 27 5.762 -4.266 7.811 1.00 0.00 C ATOM 396 C SER A 27 6.768 -5.430 7.762 1.00 0.00 C ATOM 397 O SER A 27 7.832 -5.382 8.362 1.00 0.00 O ATOM 398 CB SER A 27 5.122 -4.176 9.201 1.00 0.00 C ATOM 399 OG SER A 27 4.250 -3.057 9.297 1.00 0.00 O ATOM 0 H SER A 27 3.783 -4.564 7.142 1.00 0.00 H new ATOM 0 HA SER A 27 6.305 -3.342 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.567 -5.091 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.902 -4.098 9.958 1.00 0.00 H new ATOM 0 HG SER A 27 3.464 -3.206 8.731 1.00 0.00 H new ATOM 405 N GLN A 28 6.403 -6.470 7.037 1.00 0.00 N ATOM 406 CA GLN A 28 7.243 -7.630 6.868 1.00 0.00 C ATOM 407 C GLN A 28 8.348 -7.334 5.837 1.00 0.00 C ATOM 408 O GLN A 28 9.411 -7.954 5.848 1.00 0.00 O ATOM 409 CB GLN A 28 6.369 -8.806 6.413 1.00 0.00 C ATOM 410 CG GLN A 28 7.088 -10.145 6.302 1.00 0.00 C ATOM 411 CD GLN A 28 6.168 -11.278 5.861 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.902 -11.195 6.210 1.00 0.00 O flip ATOM 413 NE2 GLN A 28 6.594 -12.221 5.222 1.00 0.00 N flip ATOM 0 H GLN A 28 5.510 -6.530 6.548 1.00 0.00 H new ATOM 0 HA GLN A 28 7.726 -7.886 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.540 -8.914 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.937 -8.562 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.909 -10.053 5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.529 -10.396 7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.580 -12.259 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.965 -12.974 4.943 1.00 0.00 H new ATOM 422 N PHE A 29 8.103 -6.355 4.980 1.00 0.00 N ATOM 423 CA PHE A 29 9.046 -6.032 3.927 1.00 0.00 C ATOM 424 C PHE A 29 9.992 -4.949 4.380 1.00 0.00 C ATOM 425 O PHE A 29 11.217 -5.048 4.156 1.00 0.00 O ATOM 426 CB PHE A 29 8.323 -5.595 2.656 1.00 0.00 C ATOM 427 CG PHE A 29 7.327 -6.596 2.172 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.736 -7.792 1.622 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.988 -6.341 2.272 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.826 -8.716 1.183 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.067 -7.254 1.837 1.00 0.00 C ATOM 432 CZ PHE A 29 5.487 -8.452 1.288 1.00 0.00 C ATOM 0 H PHE A 29 7.264 -5.775 4.994 1.00 0.00 H new ATOM 0 HA PHE A 29 9.618 -6.933 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.816 -4.648 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.058 -5.415 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.792 -8.004 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.653 -5.408 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.163 -9.649 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.012 -7.039 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.762 -9.175 0.944 1.00 0.00 H new ATOM 442 N GLY A 30 9.446 -3.921 5.016 1.00 0.00 N ATOM 443 CA GLY A 30 10.272 -2.852 5.511 1.00 0.00 C ATOM 444 C GLY A 30 9.528 -1.959 6.458 1.00 0.00 C ATOM 445 O GLY A 30 8.555 -2.389 7.086 1.00 0.00 O ATOM 0 H GLY A 30 8.448 -3.814 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.143 -3.271 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.643 -2.262 4.673 1.00 0.00 H new ATOM 449 N GLU A 31 9.951 -0.721 6.536 1.00 0.00 N ATOM 450 CA GLU A 31 9.372 0.228 7.440 1.00 0.00 C ATOM 451 C GLU A 31 8.184 0.938 6.819 1.00 0.00 C ATOM 452 O GLU A 31 8.068 1.021 5.614 1.00 0.00 O ATOM 453 CB GLU A 31 10.438 1.196 8.003 1.00 0.00 C ATOM 454 CG GLU A 31 11.516 1.673 7.013 1.00 0.00 C ATOM 455 CD GLU A 31 10.976 2.414 5.817 1.00 0.00 C ATOM 456 OE1 GLU A 31 10.547 3.561 5.970 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 10.974 1.852 4.713 1.00 0.00 O ATOM 0 H GLU A 31 10.711 -0.347 5.969 1.00 0.00 H new ATOM 0 HA GLU A 31 8.979 -0.319 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.928 2.073 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.935 0.708 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.216 2.320 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.081 0.808 6.665 1.00 0.00 H new ATOM 464 N ILE A 32 7.290 1.405 7.639 1.00 0.00 N ATOM 465 CA ILE A 32 6.095 2.025 7.148 1.00 0.00 C ATOM 466 C ILE A 32 6.056 3.482 7.573 1.00 0.00 C ATOM 467 O ILE A 32 6.016 3.783 8.766 1.00 0.00 O ATOM 468 CB ILE A 32 4.826 1.304 7.694 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.860 -0.214 7.398 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.567 1.927 7.113 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.870 -0.578 5.926 1.00 0.00 C ATOM 0 H ILE A 32 7.366 1.368 8.655 1.00 0.00 H new ATOM 0 HA ILE A 32 6.102 1.953 6.060 1.00 0.00 H new ATOM 0 HB ILE A 32 4.817 1.431 8.776 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.745 -0.641 7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.993 -0.680 7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.691 1.411 7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.521 2.980 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.585 1.837 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.894 -1.663 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.972 -0.186 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.751 -0.147 5.451 1.00 0.00 H new ATOM 483 N LEU A 33 6.097 4.374 6.612 1.00 0.00 N ATOM 484 CA LEU A 33 5.972 5.793 6.890 1.00 0.00 C ATOM 485 C LEU A 33 4.513 6.186 6.840 1.00 0.00 C ATOM 486 O LEU A 33 4.068 7.085 7.547 1.00 0.00 O ATOM 487 CB LEU A 33 6.740 6.646 5.876 1.00 0.00 C ATOM 488 CG LEU A 33 8.246 6.421 5.752 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.833 7.455 4.823 1.00 0.00 C ATOM 490 CD2 LEU A 33 8.931 6.475 7.113 1.00 0.00 C ATOM 0 H LEU A 33 6.216 4.145 5.625 1.00 0.00 H new ATOM 0 HA LEU A 33 6.393 5.972 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.295 6.482 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.577 7.694 6.128 1.00 0.00 H new ATOM 0 HG LEU A 33 8.415 5.426 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.908 7.296 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.370 7.366 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.646 8.452 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.001 6.311 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.764 7.452 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.518 5.700 7.759 1.00 0.00 H new ATOM 502 N ASP A 34 3.779 5.488 6.008 1.00 0.00 N ATOM 503 CA ASP A 34 2.369 5.746 5.774 1.00 0.00 C ATOM 504 C ASP A 34 1.702 4.502 5.247 1.00 0.00 C ATOM 505 O ASP A 34 2.336 3.703 4.552 1.00 0.00 O ATOM 506 CB ASP A 34 2.177 6.937 4.788 1.00 0.00 C ATOM 507 CG ASP A 34 1.094 6.704 3.730 1.00 0.00 C ATOM 508 OD1 ASP A 34 -0.091 6.919 4.024 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.456 6.282 2.595 1.00 0.00 O ATOM 0 H ASP A 34 4.147 4.709 5.462 1.00 0.00 H new ATOM 0 HA ASP A 34 1.903 6.021 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.926 7.831 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.124 7.135 4.286 1.00 0.00 H new ATOM 514 N SER A 35 0.483 4.313 5.633 1.00 0.00 N ATOM 515 CA SER A 35 -0.333 3.254 5.152 1.00 0.00 C ATOM 516 C SER A 35 -1.770 3.695 5.292 1.00 0.00 C ATOM 517 O SER A 35 -2.331 3.693 6.399 1.00 0.00 O ATOM 518 CB SER A 35 -0.050 1.952 5.925 1.00 0.00 C ATOM 519 OG SER A 35 -0.162 2.151 7.329 1.00 0.00 O ATOM 0 H SER A 35 0.015 4.912 6.313 1.00 0.00 H new ATOM 0 HA SER A 35 -0.116 3.038 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.750 1.179 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.951 1.594 5.685 1.00 0.00 H new ATOM 0 HG SER A 35 -0.934 2.725 7.518 1.00 0.00 H new ATOM 525 N LYS A 36 -2.344 4.117 4.210 1.00 0.00 N ATOM 526 CA LYS A 36 -3.682 4.617 4.220 1.00 0.00 C ATOM 527 C LYS A 36 -4.524 4.054 3.123 1.00 0.00 C ATOM 528 O LYS A 36 -4.126 4.027 1.957 1.00 0.00 O ATOM 529 CB LYS A 36 -3.724 6.159 4.171 1.00 0.00 C ATOM 530 CG LYS A 36 -3.769 6.861 5.537 1.00 0.00 C ATOM 531 CD LYS A 36 -5.015 6.448 6.342 1.00 0.00 C ATOM 532 CE LYS A 36 -6.327 6.777 5.608 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.494 6.068 6.203 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.897 4.125 3.293 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.105 4.284 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.847 6.512 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.598 6.464 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.871 6.616 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.769 7.941 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.974 5.378 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.005 6.956 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.501 7.853 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.233 6.502 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.375 6.489 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.459 5.062 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.464 6.158 7.239 1.00 0.00 H new ATOM 547 N ILE A 37 -5.677 3.594 3.508 1.00 0.00 N ATOM 548 CA ILE A 37 -6.692 3.178 2.598 1.00 0.00 C ATOM 549 C ILE A 37 -7.335 4.456 2.135 1.00 0.00 C ATOM 550 O ILE A 37 -7.596 5.354 2.961 1.00 0.00 O ATOM 551 CB ILE A 37 -7.788 2.332 3.319 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.173 1.152 4.079 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.859 1.846 2.335 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.483 0.136 3.214 1.00 0.00 C ATOM 0 H ILE A 37 -5.940 3.497 4.489 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.270 2.572 1.797 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.272 2.984 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.456 1.539 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.960 0.653 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.606 1.260 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.339 2.705 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.394 1.227 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.080 -0.660 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.197 -0.285 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.670 0.615 2.668 1.00 0.00 H new ATOM 566 N ILE A 38 -7.558 4.590 0.868 1.00 0.00 N ATOM 567 CA ILE A 38 -8.189 5.765 0.382 1.00 0.00 C ATOM 568 C ILE A 38 -9.670 5.677 0.647 1.00 0.00 C ATOM 569 O ILE A 38 -10.426 5.001 -0.071 1.00 0.00 O ATOM 570 CB ILE A 38 -7.876 6.054 -1.114 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.362 6.299 -1.297 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.683 7.255 -1.631 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.818 7.492 -0.520 1.00 0.00 C ATOM 0 H ILE A 38 -7.312 3.902 0.157 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.779 6.618 0.922 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.169 5.183 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.822 5.404 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.156 6.447 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.442 7.431 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.748 7.046 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.432 8.141 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.749 7.590 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.328 8.400 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.988 7.340 0.546 1.00 0.00 H new ATOM 585 N ASN A 39 -10.045 6.240 1.754 1.00 0.00 N ATOM 586 CA ASN A 39 -11.408 6.345 2.130 1.00 0.00 C ATOM 587 C ASN A 39 -11.954 7.609 1.537 1.00 0.00 C ATOM 588 O ASN A 39 -11.222 8.583 1.344 1.00 0.00 O ATOM 589 CB ASN A 39 -11.604 6.310 3.668 1.00 0.00 C ATOM 590 CG ASN A 39 -10.897 7.438 4.423 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.731 7.296 4.842 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.584 8.544 4.625 1.00 0.00 N ATOM 0 H ASN A 39 -9.396 6.644 2.429 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.952 5.482 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.671 6.356 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.242 5.354 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.164 9.319 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.536 8.626 4.268 1.00 0.00 H new ATOM 706 N ARG A 47 -12.567 3.345 -0.773 1.00 0.00 N ATOM 707 CA ARG A 47 -12.742 3.495 -2.219 1.00 0.00 C ATOM 708 C ARG A 47 -12.079 2.377 -3.018 1.00 0.00 C ATOM 709 O ARG A 47 -12.063 2.414 -4.238 1.00 0.00 O ATOM 710 CB ARG A 47 -12.313 4.885 -2.722 1.00 0.00 C ATOM 711 CG ARG A 47 -13.166 6.018 -2.159 1.00 0.00 C ATOM 712 CD ARG A 47 -12.841 7.371 -2.793 1.00 0.00 C ATOM 713 NE ARG A 47 -13.086 7.378 -4.253 1.00 0.00 N ATOM 714 CZ ARG A 47 -13.820 8.301 -4.924 1.00 0.00 C ATOM 715 NH1 ARG A 47 -14.520 9.237 -4.272 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -13.883 8.249 -6.264 1.00 0.00 N ATOM 0 HA ARG A 47 -13.814 3.408 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.271 5.056 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.369 4.903 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.219 5.789 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.015 6.080 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.445 8.146 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.797 7.619 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.668 6.626 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.508 9.265 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.066 9.922 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.381 7.519 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.433 8.939 -6.776 1.00 0.00 H new ATOM 730 N GLY A 48 -11.527 1.397 -2.324 1.00 0.00 N ATOM 731 CA GLY A 48 -11.030 0.209 -3.005 1.00 0.00 C ATOM 732 C GLY A 48 -9.545 0.202 -3.295 1.00 0.00 C ATOM 733 O GLY A 48 -9.048 -0.726 -3.939 1.00 0.00 O ATOM 0 H GLY A 48 -11.412 1.396 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.269 -0.664 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.568 0.099 -3.947 1.00 0.00 H new ATOM 737 N PHE A 49 -8.827 1.201 -2.844 1.00 0.00 N ATOM 738 CA PHE A 49 -7.396 1.228 -3.056 1.00 0.00 C ATOM 739 C PHE A 49 -6.734 2.018 -1.939 1.00 0.00 C ATOM 740 O PHE A 49 -7.429 2.694 -1.168 1.00 0.00 O ATOM 741 CB PHE A 49 -7.032 1.788 -4.456 1.00 0.00 C ATOM 742 CG PHE A 49 -7.212 3.260 -4.645 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.468 3.824 -4.803 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.104 4.076 -4.681 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.609 5.185 -4.987 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.231 5.438 -4.865 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.487 5.995 -5.018 1.00 0.00 C ATOM 0 H PHE A 49 -9.202 2.000 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.018 0.206 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.991 1.541 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.637 1.270 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.344 3.193 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.121 3.644 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.592 5.616 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.353 6.066 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.593 7.060 -5.161 1.00 0.00 H new ATOM 757 N GLY A 50 -5.434 1.914 -1.826 1.00 0.00 N ATOM 758 CA GLY A 50 -4.719 2.592 -0.781 1.00 0.00 C ATOM 759 C GLY A 50 -3.257 2.745 -1.110 1.00 0.00 C ATOM 760 O GLY A 50 -2.791 2.242 -2.141 1.00 0.00 O ATOM 0 H GLY A 50 -4.848 1.361 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.160 3.576 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.825 2.037 0.151 1.00 0.00 H new ATOM 764 N PHE A 51 -2.538 3.419 -0.249 1.00 0.00 N ATOM 765 CA PHE A 51 -1.122 3.656 -0.430 1.00 0.00 C ATOM 766 C PHE A 51 -0.334 3.217 0.789 1.00 0.00 C ATOM 767 O PHE A 51 -0.852 3.221 1.909 1.00 0.00 O ATOM 768 CB PHE A 51 -0.827 5.133 -0.699 1.00 0.00 C ATOM 769 CG PHE A 51 -1.346 5.673 -2.002 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.679 5.418 -3.186 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.478 6.460 -2.037 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.134 5.938 -4.381 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.945 6.980 -3.227 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.272 6.719 -4.403 1.00 0.00 C ATOM 0 H PHE A 51 -2.919 3.824 0.606 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.816 3.068 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.252 5.723 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.253 5.280 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.209 4.804 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.007 6.672 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.600 5.734 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.836 7.590 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.634 7.124 -5.336 1.00 0.00 H new ATOM 784 N VAL A 52 0.895 2.795 0.552 1.00 0.00 N ATOM 785 CA VAL A 52 1.826 2.413 1.610 1.00 0.00 C ATOM 786 C VAL A 52 3.175 3.055 1.307 1.00 0.00 C ATOM 787 O VAL A 52 3.757 2.783 0.268 1.00 0.00 O ATOM 788 CB VAL A 52 2.034 0.871 1.685 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.912 0.498 2.871 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.716 0.131 1.752 1.00 0.00 C ATOM 0 H VAL A 52 1.283 2.705 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 52 1.412 2.747 2.561 1.00 0.00 H new ATOM 0 HB VAL A 52 2.540 0.569 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.042 -0.584 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.885 0.978 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.438 0.832 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.903 -0.942 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.166 0.446 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.128 0.355 0.862 1.00 0.00 H new ATOM 800 N THR A 53 3.639 3.902 2.171 1.00 0.00 N ATOM 801 CA THR A 53 4.904 4.579 1.990 1.00 0.00 C ATOM 802 C THR A 53 6.018 3.925 2.820 1.00 0.00 C ATOM 803 O THR A 53 5.836 3.638 4.006 1.00 0.00 O ATOM 804 CB THR A 53 4.772 6.074 2.362 1.00 0.00 C ATOM 805 OG1 THR A 53 3.778 6.689 1.527 1.00 0.00 O ATOM 806 CG2 THR A 53 6.089 6.819 2.196 1.00 0.00 C ATOM 0 H THR A 53 3.153 4.152 3.033 1.00 0.00 H new ATOM 0 HA THR A 53 5.176 4.495 0.938 1.00 0.00 H new ATOM 0 HB THR A 53 4.481 6.130 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.921 6.713 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.952 7.866 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.844 6.372 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.416 6.754 1.158 1.00 0.00 H new ATOM 814 N PHE A 54 7.141 3.701 2.171 1.00 0.00 N ATOM 815 CA PHE A 54 8.346 3.147 2.757 1.00 0.00 C ATOM 816 C PHE A 54 9.443 4.141 2.475 1.00 0.00 C ATOM 817 O PHE A 54 9.396 4.789 1.427 1.00 0.00 O ATOM 818 CB PHE A 54 8.765 1.890 2.000 1.00 0.00 C ATOM 819 CG PHE A 54 7.769 0.787 1.913 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.609 -0.112 2.941 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.022 0.631 0.772 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.712 -1.148 2.839 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.125 -0.390 0.657 1.00 0.00 C ATOM 824 CZ PHE A 54 5.965 -1.286 1.691 1.00 0.00 C ATOM 0 H PHE A 54 7.245 3.909 1.178 1.00 0.00 H new ATOM 0 HA PHE A 54 8.179 2.935 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.037 2.181 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.666 1.496 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.196 -0.002 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.146 1.326 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.594 -1.848 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.540 -0.496 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.255 -2.095 1.601 1.00 0.00 H new ATOM 834 N LYS A 55 10.420 4.271 3.325 1.00 0.00 N ATOM 835 CA LYS A 55 11.527 5.136 2.993 1.00 0.00 C ATOM 836 C LYS A 55 12.621 4.309 2.338 1.00 0.00 C ATOM 837 O LYS A 55 13.554 4.848 1.749 1.00 0.00 O ATOM 838 CB LYS A 55 12.091 5.902 4.195 1.00 0.00 C ATOM 839 CG LYS A 55 12.366 7.378 3.873 1.00 0.00 C ATOM 840 CD LYS A 55 13.085 8.099 5.000 1.00 0.00 C ATOM 841 CE LYS A 55 12.918 9.624 4.901 1.00 0.00 C ATOM 842 NZ LYS A 55 13.189 10.173 3.551 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.479 3.806 4.231 1.00 0.00 H new ATOM 0 HA LYS A 55 11.149 5.894 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.387 5.839 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.015 5.427 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.966 7.442 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.422 7.883 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.698 7.753 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.145 7.847 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.901 9.888 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.588 10.100 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.913 10.917 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.530 9.412 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.314 10.576 3.158 1.00 0.00 H new ATOM 856 N ASP A 56 12.470 2.997 2.409 1.00 0.00 N ATOM 857 CA ASP A 56 13.434 2.080 1.829 1.00 0.00 C ATOM 858 C ASP A 56 12.935 1.493 0.511 1.00 0.00 C ATOM 859 O ASP A 56 11.758 1.116 0.353 1.00 0.00 O ATOM 860 CB ASP A 56 13.811 0.968 2.828 1.00 0.00 C ATOM 861 CG ASP A 56 14.533 -0.203 2.180 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.493 0.009 1.406 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 14.080 -1.347 2.365 1.00 0.00 O ATOM 0 H ASP A 56 11.681 2.541 2.867 1.00 0.00 H new ATOM 0 HA ASP A 56 14.335 2.652 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.445 1.390 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.906 0.604 3.314 1.00 0.00 H new ATOM 868 N GLU A 57 13.845 1.427 -0.432 1.00 0.00 N ATOM 869 CA GLU A 57 13.577 0.987 -1.775 1.00 0.00 C ATOM 870 C GLU A 57 13.539 -0.535 -1.833 1.00 0.00 C ATOM 871 O GLU A 57 12.874 -1.104 -2.712 1.00 0.00 O ATOM 872 CB GLU A 57 14.658 1.527 -2.701 1.00 0.00 C ATOM 873 CG GLU A 57 14.964 2.994 -2.458 1.00 0.00 C ATOM 874 CD GLU A 57 15.956 3.568 -3.426 1.00 0.00 C ATOM 875 OE1 GLU A 57 17.155 3.386 -3.237 1.00 0.00 O ATOM 876 OE2 GLU A 57 15.537 4.281 -4.371 1.00 0.00 O1- ATOM 0 H GLU A 57 14.820 1.686 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 57 12.606 1.364 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.569 0.944 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.343 1.393 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.037 3.565 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.347 3.114 -1.444 1.00 0.00 H new ATOM 883 N LYS A 58 14.243 -1.204 -0.912 1.00 0.00 N ATOM 884 CA LYS A 58 14.169 -2.651 -0.823 1.00 0.00 C ATOM 885 C LYS A 58 12.760 -2.981 -0.440 1.00 0.00 C ATOM 886 O LYS A 58 12.084 -3.721 -1.141 1.00 0.00 O ATOM 887 CB LYS A 58 15.207 -3.215 0.219 1.00 0.00 C ATOM 888 CG LYS A 58 15.136 -4.742 0.571 1.00 0.00 C ATOM 889 CD LYS A 58 13.910 -5.110 1.450 1.00 0.00 C ATOM 890 CE LYS A 58 13.883 -6.574 1.868 1.00 0.00 C ATOM 891 NZ LYS A 58 12.629 -6.922 2.605 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.861 -0.765 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 58 14.426 -3.116 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.208 -3.005 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.091 -2.652 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.100 -5.320 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.049 -5.031 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.912 -4.485 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.997 -4.880 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.971 -7.205 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.746 -6.787 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.804 -7.741 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.330 -6.111 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.879 -7.156 1.923 1.00 0.00 H new ATOM 905 N ALA A 59 12.330 -2.378 0.653 1.00 0.00 N ATOM 906 CA ALA A 59 11.015 -2.537 1.218 1.00 0.00 C ATOM 907 C ALA A 59 9.938 -2.380 0.181 1.00 0.00 C ATOM 908 O ALA A 59 9.127 -3.263 0.016 1.00 0.00 O ATOM 909 CB ALA A 59 10.811 -1.529 2.325 1.00 0.00 C ATOM 0 H ALA A 59 12.917 -1.739 1.189 1.00 0.00 H new ATOM 0 HA ALA A 59 10.944 -3.548 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.815 -1.652 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.559 -1.686 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.911 -0.521 1.922 1.00 0.00 H new ATOM 915 N MET A 60 9.974 -1.277 -0.551 1.00 0.00 N ATOM 916 CA MET A 60 8.961 -0.993 -1.544 1.00 0.00 C ATOM 917 C MET A 60 8.953 -2.038 -2.675 1.00 0.00 C ATOM 918 O MET A 60 7.905 -2.510 -3.062 1.00 0.00 O ATOM 919 CB MET A 60 9.110 0.457 -2.078 1.00 0.00 C ATOM 920 CG MET A 60 10.226 0.699 -3.050 1.00 0.00 C ATOM 921 SD MET A 60 9.870 0.157 -4.734 1.00 0.00 S ATOM 922 CE MET A 60 11.448 0.398 -5.470 1.00 0.00 C ATOM 0 H MET A 60 10.699 -0.564 -0.472 1.00 0.00 H new ATOM 0 HA MET A 60 7.987 -1.066 -1.061 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.173 0.743 -2.556 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.249 1.122 -1.226 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.456 1.764 -3.064 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.119 0.185 -2.696 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.633 -0.390 -6.200 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.473 1.367 -5.968 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.218 0.366 -4.699 1.00 0.00 H new ATOM 932 N ARG A 61 10.129 -2.457 -3.145 1.00 0.00 N ATOM 933 CA ARG A 61 10.215 -3.354 -4.263 1.00 0.00 C ATOM 934 C ARG A 61 9.757 -4.739 -3.851 1.00 0.00 C ATOM 935 O ARG A 61 8.961 -5.387 -4.540 1.00 0.00 O ATOM 936 CB ARG A 61 11.654 -3.393 -4.762 1.00 0.00 C ATOM 937 CG ARG A 61 11.856 -4.302 -5.928 1.00 0.00 C ATOM 938 CD ARG A 61 11.162 -3.782 -7.183 1.00 0.00 C ATOM 939 NE ARG A 61 11.111 -4.801 -8.222 1.00 0.00 N ATOM 940 CZ ARG A 61 11.030 -4.609 -9.539 1.00 0.00 C ATOM 941 NH1 ARG A 61 11.131 -3.373 -10.053 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 10.830 -5.655 -10.340 1.00 0.00 N ATOM 0 H ARG A 61 11.030 -2.179 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 61 9.567 -3.004 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.961 -2.385 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.304 -3.711 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.923 -4.411 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.473 -5.293 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.150 -3.462 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.691 -2.905 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 61 11.141 -5.771 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.271 -2.574 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.068 -3.233 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.741 -6.591 -9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.766 -5.520 -11.349 1.00 0.00 H new ATOM 956 N ASP A 62 10.226 -5.128 -2.695 1.00 0.00 N ATOM 957 CA ASP A 62 9.946 -6.414 -2.070 1.00 0.00 C ATOM 958 C ASP A 62 8.447 -6.489 -1.747 1.00 0.00 C ATOM 959 O ASP A 62 7.825 -7.535 -1.818 1.00 0.00 O ATOM 960 CB ASP A 62 10.821 -6.471 -0.808 1.00 0.00 C ATOM 961 CG ASP A 62 10.850 -7.766 -0.053 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.210 -8.784 -0.619 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 10.630 -7.718 1.182 1.00 0.00 O ATOM 0 H ASP A 62 10.840 -4.540 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 62 10.175 -7.264 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.843 -6.224 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.483 -5.690 -0.127 1.00 0.00 H new ATOM 968 N ALA A 63 7.876 -5.327 -1.473 1.00 0.00 N ATOM 969 CA ALA A 63 6.461 -5.163 -1.204 1.00 0.00 C ATOM 970 C ALA A 63 5.653 -5.375 -2.470 1.00 0.00 C ATOM 971 O ALA A 63 4.669 -6.130 -2.488 1.00 0.00 O ATOM 972 CB ALA A 63 6.223 -3.755 -0.718 1.00 0.00 C ATOM 0 H ALA A 63 8.399 -4.452 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 63 6.155 -5.893 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.162 -3.616 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.796 -3.583 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.539 -3.047 -1.484 1.00 0.00 H new ATOM 978 N ILE A 64 6.074 -4.692 -3.518 1.00 0.00 N ATOM 979 CA ILE A 64 5.424 -4.724 -4.810 1.00 0.00 C ATOM 980 C ILE A 64 5.359 -6.137 -5.369 1.00 0.00 C ATOM 981 O ILE A 64 4.281 -6.623 -5.679 1.00 0.00 O ATOM 982 CB ILE A 64 6.127 -3.747 -5.808 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.940 -2.301 -5.322 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.578 -3.910 -7.230 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.844 -1.284 -5.988 1.00 0.00 C ATOM 0 H ILE A 64 6.895 -4.087 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 64 4.397 -4.386 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 64 7.190 -3.987 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.903 -2.008 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.112 -2.269 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.088 -3.216 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.746 -4.932 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.509 -3.698 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.640 -0.294 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.886 -1.545 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.658 -1.280 -7.062 1.00 0.00 H new ATOM 997 N GLU A 65 6.487 -6.800 -5.442 1.00 0.00 N ATOM 998 CA GLU A 65 6.550 -8.128 -5.998 1.00 0.00 C ATOM 999 C GLU A 65 6.083 -9.198 -5.001 1.00 0.00 C ATOM 1000 O GLU A 65 5.732 -10.305 -5.390 1.00 0.00 O ATOM 1001 CB GLU A 65 7.963 -8.391 -6.494 1.00 0.00 C ATOM 1002 CG GLU A 65 8.376 -7.429 -7.596 1.00 0.00 C ATOM 1003 CD GLU A 65 9.803 -7.589 -8.057 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.717 -7.224 -7.299 1.00 0.00 O ATOM 1005 OE2 GLU A 65 10.029 -7.934 -9.231 1.00 0.00 O1- ATOM 0 H GLU A 65 7.383 -6.436 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 65 5.860 -8.189 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.660 -8.306 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.031 -9.414 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.713 -7.567 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.233 -6.408 -7.243 1.00 0.00 H new ATOM 1012 N GLY A 66 6.057 -8.848 -3.727 1.00 0.00 N ATOM 1013 CA GLY A 66 5.668 -9.797 -2.705 1.00 0.00 C ATOM 1014 C GLY A 66 4.167 -9.866 -2.462 1.00 0.00 C ATOM 1015 O GLY A 66 3.629 -10.939 -2.233 1.00 0.00 O ATOM 0 H GLY A 66 6.299 -7.920 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.026 -10.787 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.165 -9.534 -1.771 1.00 0.00 H new ATOM 1019 N MET A 67 3.487 -8.732 -2.499 1.00 0.00 N ATOM 1020 CA MET A 67 2.042 -8.722 -2.217 1.00 0.00 C ATOM 1021 C MET A 67 1.194 -8.593 -3.467 1.00 0.00 C ATOM 1022 O MET A 67 -0.035 -8.488 -3.385 1.00 0.00 O ATOM 1023 CB MET A 67 1.665 -7.624 -1.220 1.00 0.00 C ATOM 1024 CG MET A 67 2.162 -7.851 0.192 1.00 0.00 C ATOM 1025 SD MET A 67 1.508 -9.361 0.935 1.00 0.00 S ATOM 1026 CE MET A 67 2.224 -9.301 2.578 1.00 0.00 C ATOM 0 H MET A 67 3.891 -7.821 -2.715 1.00 0.00 H new ATOM 0 HA MET A 67 1.827 -9.694 -1.772 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.059 -6.674 -1.581 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.579 -7.530 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.251 -7.898 0.185 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.884 -6.998 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.574 -9.826 3.278 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.204 -9.778 2.566 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.330 -8.262 2.891 1.00 0.00 H new ATOM 1036 N ASN A 68 1.823 -8.580 -4.610 1.00 0.00 N ATOM 1037 CA ASN A 68 1.087 -8.479 -5.865 1.00 0.00 C ATOM 1038 C ASN A 68 0.392 -9.805 -6.149 1.00 0.00 C ATOM 1039 O ASN A 68 1.053 -10.825 -6.294 1.00 0.00 O ATOM 1040 CB ASN A 68 2.036 -8.161 -7.034 1.00 0.00 C ATOM 1041 CG ASN A 68 1.309 -7.826 -8.333 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.929 -8.696 -9.093 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.178 -6.548 -8.636 1.00 0.00 N ATOM 0 H ASN A 68 2.836 -8.637 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 68 0.357 -7.675 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.673 -7.321 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.691 -9.016 -7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.752 -6.275 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.503 -5.834 -7.985 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.925 -9.802 -6.179 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.624 -11.005 -6.556 1.00 0.00 C ATOM 1052 C GLY A 69 -2.101 -11.842 -5.387 1.00 0.00 C ATOM 1053 O GLY A 69 -2.470 -13.003 -5.578 1.00 0.00 O ATOM 0 H GLY A 69 -1.516 -9.002 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.484 -10.735 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.967 -11.613 -7.179 1.00 0.00 H new ATOM 1057 N GLN A 70 -2.078 -11.300 -4.184 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.573 -12.056 -3.040 1.00 0.00 C ATOM 1059 C GLN A 70 -3.946 -11.552 -2.613 1.00 0.00 C ATOM 1060 O GLN A 70 -4.325 -10.418 -2.933 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.540 -12.093 -1.875 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.190 -10.752 -1.224 1.00 0.00 C ATOM 1063 CD GLN A 70 -2.034 -10.401 0.002 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -3.156 -10.785 0.133 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.469 -9.674 0.911 1.00 0.00 N ATOM 0 H GLN A 70 -1.732 -10.364 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.701 -13.094 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.924 -12.757 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.619 -12.540 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.140 -10.767 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.304 -9.962 -1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.509 -9.354 0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.984 -9.421 1.755 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.675 -12.384 -1.906 1.00 0.00 N ATOM 1075 CA ASP A 71 -6.031 -12.061 -1.469 1.00 0.00 C ATOM 1076 C ASP A 71 -6.072 -11.603 -0.031 1.00 0.00 C ATOM 1077 O ASP A 71 -6.031 -12.406 0.910 1.00 0.00 O ATOM 1078 CB ASP A 71 -7.015 -13.220 -1.705 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.403 -13.372 -3.163 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -6.586 -13.897 -3.958 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.522 -12.957 -3.527 1.00 0.00 O1- ATOM 0 H ASP A 71 -4.353 -13.306 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.356 -11.227 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.566 -14.149 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.913 -13.055 -1.110 1.00 0.00 H new ATOM 1086 N LEU A 72 -6.156 -10.313 0.134 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.180 -9.684 1.421 1.00 0.00 C ATOM 1088 C LEU A 72 -7.641 -9.342 1.701 1.00 0.00 C ATOM 1089 O LEU A 72 -8.298 -8.719 0.868 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.304 -8.405 1.377 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.582 -7.971 2.680 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.744 -6.727 2.437 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.544 -7.730 3.827 1.00 0.00 C ATOM 0 H LEU A 72 -6.211 -9.655 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.783 -10.328 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.546 -8.546 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.937 -7.578 1.055 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.933 -8.798 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.245 -6.438 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.996 -6.936 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.388 -5.914 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.985 -7.429 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.245 -6.941 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.094 -8.647 4.039 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.152 -9.832 2.831 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.571 -9.657 3.262 1.00 0.00 C ATOM 1107 C ASP A 73 -10.529 -10.279 2.255 1.00 0.00 C ATOM 1108 O ASP A 73 -11.698 -9.896 2.161 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.954 -8.177 3.476 1.00 0.00 C ATOM 1110 CG ASP A 73 -9.162 -7.484 4.546 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -9.201 -7.927 5.700 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -8.479 -6.491 4.217 1.00 0.00 O ATOM 0 H ASP A 73 -7.597 -10.372 3.494 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.657 -10.169 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.822 -7.640 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.013 -8.120 3.729 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.046 -11.281 1.543 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.868 -11.962 0.565 1.00 0.00 C ATOM 1119 C GLY A 74 -10.916 -11.223 -0.754 1.00 0.00 C ATOM 1120 O GLY A 74 -11.865 -11.366 -1.521 1.00 0.00 O ATOM 0 H GLY A 74 -9.094 -11.638 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.479 -12.967 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.880 -12.071 0.956 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.929 -10.399 -0.993 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.826 -9.683 -2.228 1.00 0.00 C ATOM 1126 C ARG A 75 -8.395 -9.668 -2.732 1.00 0.00 C ATOM 1127 O ARG A 75 -7.473 -9.333 -2.005 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.353 -8.257 -2.085 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.007 -7.378 -3.263 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.662 -7.796 -4.558 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.918 -7.237 -5.696 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.425 -6.763 -6.831 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.753 -6.679 -7.001 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.595 -6.355 -7.800 1.00 0.00 N ATOM 0 H ARG A 75 -9.175 -10.208 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.443 -10.203 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.436 -8.286 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.945 -7.814 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.298 -6.353 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.925 -7.379 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.689 -8.883 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.695 -7.450 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.902 -7.210 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.382 -6.980 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.133 -6.314 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.586 -6.410 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.972 -5.990 -8.674 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.249 -9.971 -3.983 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.954 -10.041 -4.630 1.00 0.00 C ATOM 1150 C ASN A 76 -6.501 -8.643 -4.959 1.00 0.00 C ATOM 1151 O ASN A 76 -7.182 -7.894 -5.706 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.031 -10.909 -5.883 1.00 0.00 C ATOM 1153 CG ASN A 76 -5.671 -11.358 -6.353 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -5.011 -10.684 -7.148 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.245 -12.499 -5.869 1.00 0.00 N ATOM 0 H ASN A 76 -9.031 -10.182 -4.603 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.228 -10.502 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.649 -11.783 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.522 -10.350 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.334 -12.863 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.825 -13.023 -5.214 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.402 -8.279 -4.376 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.879 -6.946 -4.443 1.00 0.00 C ATOM 1164 C ILE A 77 -3.738 -6.811 -5.457 1.00 0.00 C ATOM 1165 O ILE A 77 -2.910 -7.720 -5.634 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.386 -6.484 -3.047 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.331 -7.453 -2.506 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.566 -6.432 -2.084 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.541 -6.922 -1.332 1.00 0.00 C ATOM 0 H ILE A 77 -4.827 -8.916 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.697 -6.308 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.941 -5.494 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.824 -8.379 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.639 -7.704 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.221 -6.107 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.310 -5.729 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.013 -7.423 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.817 -7.671 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.017 -6.013 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.219 -6.698 -0.509 1.00 0.00 H new ATOM 1181 N THR A 78 -3.700 -5.687 -6.121 1.00 0.00 N ATOM 1182 CA THR A 78 -2.664 -5.389 -7.064 1.00 0.00 C ATOM 1183 C THR A 78 -1.758 -4.292 -6.486 1.00 0.00 C ATOM 1184 O THR A 78 -2.207 -3.171 -6.242 1.00 0.00 O ATOM 1185 CB THR A 78 -3.283 -4.916 -8.391 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.255 -5.879 -8.818 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.215 -4.771 -9.473 1.00 0.00 C ATOM 0 H THR A 78 -4.395 -4.948 -6.019 1.00 0.00 H new ATOM 0 HA THR A 78 -2.074 -6.286 -7.254 1.00 0.00 H new ATOM 0 HB THR A 78 -3.749 -3.943 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.657 -5.586 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.680 -4.436 -10.400 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.471 -4.040 -9.155 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.731 -5.734 -9.637 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.501 -4.617 -6.271 1.00 0.00 N ATOM 1196 CA VAL A 79 0.447 -3.680 -5.680 1.00 0.00 C ATOM 1197 C VAL A 79 1.438 -3.234 -6.746 1.00 0.00 C ATOM 1198 O VAL A 79 1.932 -4.058 -7.513 1.00 0.00 O ATOM 1199 CB VAL A 79 1.228 -4.343 -4.504 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.161 -3.347 -3.823 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.273 -4.950 -3.490 1.00 0.00 C ATOM 0 H VAL A 79 -0.104 -5.529 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.107 -2.825 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 79 1.837 -5.142 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.690 -3.842 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.883 -2.970 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.578 -2.516 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.843 -5.406 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.372 -4.170 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.338 -5.710 -3.976 1.00 0.00 H new ATOM 1211 N ASN A 80 1.669 -1.943 -6.826 1.00 0.00 N ATOM 1212 CA ASN A 80 2.606 -1.346 -7.776 1.00 0.00 C ATOM 1213 C ASN A 80 3.134 -0.035 -7.211 1.00 0.00 C ATOM 1214 O ASN A 80 2.621 0.436 -6.215 1.00 0.00 O ATOM 1215 CB ASN A 80 1.958 -1.153 -9.172 1.00 0.00 C ATOM 1216 CG ASN A 80 0.628 -0.404 -9.148 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.576 0.814 -9.243 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.458 -1.138 -9.046 1.00 0.00 N ATOM 0 H ASN A 80 1.208 -1.259 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 80 3.445 -2.027 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.655 -0.612 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.803 -2.132 -9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.376 -0.693 -9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.383 -2.152 -8.968 1.00 0.00 H new ATOM 1225 N GLU A 81 4.146 0.535 -7.827 1.00 0.00 N ATOM 1226 CA GLU A 81 4.779 1.750 -7.321 1.00 0.00 C ATOM 1227 C GLU A 81 3.950 2.992 -7.664 1.00 0.00 C ATOM 1228 O GLU A 81 3.492 3.168 -8.795 1.00 0.00 O ATOM 1229 CB GLU A 81 6.234 1.837 -7.842 1.00 0.00 C ATOM 1230 CG GLU A 81 7.029 3.077 -7.427 1.00 0.00 C ATOM 1231 CD GLU A 81 6.939 3.397 -5.950 1.00 0.00 C ATOM 1232 OE1 GLU A 81 7.182 2.537 -5.129 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 6.547 4.548 -5.629 1.00 0.00 O ATOM 0 H GLU A 81 4.558 0.178 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 81 4.820 1.708 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.774 0.954 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.211 1.794 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.076 2.932 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.670 3.934 -7.997 1.00 0.00 H new ATOM 1240 N ALA A 82 3.764 3.837 -6.682 1.00 0.00 N ATOM 1241 CA ALA A 82 2.956 5.029 -6.794 1.00 0.00 C ATOM 1242 C ALA A 82 3.763 6.192 -7.370 1.00 0.00 C ATOM 1243 O ALA A 82 3.194 7.199 -7.784 1.00 0.00 O ATOM 1244 CB ALA A 82 2.371 5.391 -5.431 1.00 0.00 C ATOM 0 H ALA A 82 4.180 3.714 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 82 2.137 4.828 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.763 6.291 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.751 4.570 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.181 5.571 -4.724 1.00 0.00 H new