USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 34 MET CE :methyl -118:sc= -0.269 (180deg=-0.692) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00995 USER MOD Single : A 9 THR OG1 : rot 125:sc= 0.588 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 0.453 (180deg=0.196) USER MOD Single : A 24 MET CE :methyl -113:sc= 0 (180deg=-0.239) USER MOD Single : A 26 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.072) USER MOD Single : A 28 ASN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 38 MET CE :methyl -173:sc= 0 (180deg=-0.0462) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 0.804 (180deg=0.346) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.845 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot -104:sc= -0.536 USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 4 -8.736 0.992 6.198 1.00 44.31 N ATOM 64 CA LEU A 4 -7.852 1.701 5.291 1.00 33.54 C ATOM 65 C LEU A 4 -8.545 2.930 4.742 1.00 63.41 C ATOM 66 O LEU A 4 -9.654 2.847 4.207 1.00 4.30 O ATOM 67 CB LEU A 4 -7.423 0.797 4.138 1.00 53.50 C ATOM 68 CG LEU A 4 -6.435 -0.306 4.504 1.00 33.31 C ATOM 69 CD1 LEU A 4 -6.327 -1.303 3.372 1.00 52.11 C ATOM 70 CD2 LEU A 4 -5.067 0.283 4.812 1.00 3.23 C ATOM 0 HA LEU A 4 -6.965 2.004 5.847 1.00 33.54 H new ATOM 0 HB2 LEU A 4 -8.313 0.337 3.709 1.00 53.50 H new ATOM 0 HB3 LEU A 4 -6.978 1.416 3.359 1.00 53.50 H new ATOM 0 HG LEU A 4 -6.801 -0.817 5.394 1.00 33.31 H new ATOM 0 HD11 LEU A 4 -5.619 -2.086 3.643 1.00 52.11 H new ATOM 0 HD12 LEU A 4 -7.305 -1.747 3.183 1.00 52.11 H new ATOM 0 HD13 LEU A 4 -5.979 -0.796 2.472 1.00 52.11 H new ATOM 0 HD21 LEU A 4 -4.376 -0.519 5.071 1.00 3.23 H new ATOM 0 HD22 LEU A 4 -4.694 0.815 3.937 1.00 3.23 H new ATOM 0 HD23 LEU A 4 -5.149 0.976 5.650 1.00 3.23 H new ATOM 82 N THR A 5 -7.887 4.062 4.896 1.00 73.44 N ATOM 83 CA THR A 5 -8.432 5.336 4.482 1.00 31.42 C ATOM 84 C THR A 5 -8.245 5.516 2.969 1.00 14.25 C ATOM 85 O THR A 5 -7.502 4.765 2.345 1.00 63.15 O ATOM 86 CB THR A 5 -7.763 6.493 5.258 1.00 2.00 C ATOM 87 OG1 THR A 5 -7.281 6.031 6.527 1.00 34.02 O ATOM 88 CG2 THR A 5 -8.754 7.607 5.524 1.00 2.31 C ATOM 0 H THR A 5 -6.958 4.122 5.313 1.00 73.44 H new ATOM 0 HA THR A 5 -9.498 5.353 4.708 1.00 31.42 H new ATOM 0 HB THR A 5 -6.940 6.861 4.646 1.00 2.00 H new ATOM 0 HG1 THR A 5 -6.858 6.774 7.007 1.00 34.02 H new ATOM 0 HG21 THR A 5 -8.260 8.410 6.071 1.00 2.31 H new ATOM 0 HG22 THR A 5 -9.132 7.992 4.577 1.00 2.31 H new ATOM 0 HG23 THR A 5 -9.584 7.222 6.116 1.00 2.31 H new ATOM 96 N ILE A 6 -8.926 6.508 2.393 1.00 55.41 N ATOM 97 CA ILE A 6 -8.940 6.738 0.934 1.00 64.55 C ATOM 98 C ILE A 6 -7.560 7.199 0.407 1.00 51.11 C ATOM 99 O ILE A 6 -7.216 6.980 -0.756 1.00 65.30 O ATOM 100 CB ILE A 6 -10.060 7.764 0.567 1.00 44.10 C ATOM 101 CG1 ILE A 6 -11.403 7.366 1.216 1.00 41.53 C ATOM 102 CG2 ILE A 6 -10.243 7.904 -0.943 1.00 30.12 C ATOM 103 CD1 ILE A 6 -11.942 6.009 0.789 1.00 40.12 C ATOM 0 H ILE A 6 -9.486 7.179 2.919 1.00 55.41 H new ATOM 0 HA ILE A 6 -9.159 5.789 0.444 1.00 64.55 H new ATOM 0 HB ILE A 6 -9.740 8.730 0.958 1.00 44.10 H new ATOM 0 HG12 ILE A 6 -11.281 7.368 2.299 1.00 41.53 H new ATOM 0 HG13 ILE A 6 -12.145 8.127 0.977 1.00 41.53 H new ATOM 0 HG21 ILE A 6 -11.032 8.628 -1.148 1.00 30.12 H new ATOM 0 HG22 ILE A 6 -9.311 8.246 -1.392 1.00 30.12 H new ATOM 0 HG23 ILE A 6 -10.517 6.938 -1.367 1.00 30.12 H new ATOM 0 HD11 ILE A 6 -12.887 5.817 1.296 1.00 40.12 H new ATOM 0 HD12 ILE A 6 -12.101 6.004 -0.289 1.00 40.12 H new ATOM 0 HD13 ILE A 6 -11.224 5.233 1.053 1.00 40.12 H new ATOM 115 N GLU A 7 -6.766 7.786 1.297 1.00 3.52 N ATOM 116 CA GLU A 7 -5.385 8.175 1.001 1.00 12.45 C ATOM 117 C GLU A 7 -4.481 6.944 0.929 1.00 32.42 C ATOM 118 O GLU A 7 -3.556 6.903 0.125 1.00 0.31 O ATOM 119 CB GLU A 7 -4.826 9.136 2.068 1.00 34.42 C ATOM 120 CG GLU A 7 -5.674 10.370 2.346 1.00 62.01 C ATOM 121 CD GLU A 7 -6.765 10.121 3.368 1.00 44.54 C ATOM 122 OE1 GLU A 7 -6.449 10.035 4.571 1.00 42.34 O ATOM 123 OE2 GLU A 7 -7.939 9.985 2.971 1.00 51.24 O ATOM 0 H GLU A 7 -7.060 8.008 2.248 1.00 3.52 H new ATOM 0 HA GLU A 7 -5.398 8.684 0.037 1.00 12.45 H new ATOM 0 HB2 GLU A 7 -4.702 8.584 3.000 1.00 34.42 H new ATOM 0 HB3 GLU A 7 -3.834 9.461 1.755 1.00 34.42 H new ATOM 0 HG2 GLU A 7 -5.029 11.175 2.700 1.00 62.01 H new ATOM 0 HG3 GLU A 7 -6.127 10.710 1.415 1.00 62.01 H new ATOM 130 N GLU A 8 -4.780 5.940 1.761 1.00 52.40 N ATOM 131 CA GLU A 8 -3.994 4.705 1.829 1.00 34.13 C ATOM 132 C GLU A 8 -4.242 3.822 0.613 1.00 33.13 C ATOM 133 O GLU A 8 -3.317 3.200 0.106 1.00 34.21 O ATOM 134 CB GLU A 8 -4.316 3.936 3.109 1.00 55.55 C ATOM 135 CG GLU A 8 -4.014 4.719 4.371 1.00 71.24 C ATOM 136 CD GLU A 8 -4.179 3.900 5.625 1.00 64.13 C ATOM 137 OE1 GLU A 8 -3.219 3.202 6.010 1.00 40.32 O ATOM 138 OE2 GLU A 8 -5.267 3.954 6.232 1.00 64.00 O ATOM 0 H GLU A 8 -5.572 5.961 2.404 1.00 52.40 H new ATOM 0 HA GLU A 8 -2.940 4.983 1.837 1.00 34.13 H new ATOM 0 HB2 GLU A 8 -5.371 3.661 3.104 1.00 55.55 H new ATOM 0 HB3 GLU A 8 -3.745 3.008 3.120 1.00 55.55 H new ATOM 0 HG2 GLU A 8 -2.993 5.097 4.322 1.00 71.24 H new ATOM 0 HG3 GLU A 8 -4.673 5.586 4.421 1.00 71.24 H new ATOM 145 N THR A 9 -5.486 3.799 0.144 1.00 34.31 N ATOM 146 CA THR A 9 -5.858 3.096 -1.082 1.00 50.40 C ATOM 147 C THR A 9 -5.360 3.832 -2.330 1.00 35.41 C ATOM 148 O THR A 9 -5.130 3.212 -3.372 1.00 61.30 O ATOM 149 CB THR A 9 -7.374 2.880 -1.152 1.00 14.35 C ATOM 150 OG1 THR A 9 -8.050 3.993 -0.569 1.00 71.43 O ATOM 151 CG2 THR A 9 -7.776 1.603 -0.440 1.00 3.30 C ATOM 0 H THR A 9 -6.267 4.268 0.603 1.00 34.31 H new ATOM 0 HA THR A 9 -5.372 2.121 -1.057 1.00 50.40 H new ATOM 0 HB THR A 9 -7.658 2.791 -2.201 1.00 14.35 H new ATOM 0 HG1 THR A 9 -8.690 4.361 -1.214 1.00 71.43 H new ATOM 0 HG21 THR A 9 -8.856 1.475 -0.505 1.00 3.30 H new ATOM 0 HG22 THR A 9 -7.281 0.753 -0.910 1.00 3.30 H new ATOM 0 HG23 THR A 9 -7.480 1.662 0.607 1.00 3.30 H new ATOM 159 N ASN A 10 -5.215 5.160 -2.218 1.00 44.03 N ATOM 160 CA ASN A 10 -4.583 5.986 -3.255 1.00 54.32 C ATOM 161 C ASN A 10 -3.105 5.620 -3.425 1.00 14.31 C ATOM 162 O ASN A 10 -2.617 5.552 -4.544 1.00 24.41 O ATOM 163 CB ASN A 10 -4.713 7.470 -2.894 1.00 60.33 C ATOM 164 CG ASN A 10 -4.006 8.406 -3.862 1.00 61.05 C ATOM 165 OD1 ASN A 10 -3.262 9.278 -3.438 1.00 41.12 O ATOM 166 ND2 ASN A 10 -4.266 8.269 -5.154 1.00 32.33 N ATOM 0 H ASN A 10 -5.532 5.691 -1.407 1.00 44.03 H new ATOM 0 HA ASN A 10 -5.094 5.796 -4.199 1.00 54.32 H new ATOM 0 HB2 ASN A 10 -5.770 7.733 -2.857 1.00 60.33 H new ATOM 0 HB3 ASN A 10 -4.310 7.627 -1.893 1.00 60.33 H new ATOM 0 HD21 ASN A 10 -3.840 8.903 -5.830 1.00 32.33 H new ATOM 0 HD22 ASN A 10 -4.892 7.530 -5.473 1.00 32.33 H new ATOM 173 N LEU A 11 -2.426 5.365 -2.299 1.00 52.45 N ATOM 174 CA LEU A 11 -1.025 4.915 -2.265 1.00 45.13 C ATOM 175 C LEU A 11 -0.845 3.569 -2.992 1.00 51.05 C ATOM 176 O LEU A 11 0.175 3.329 -3.649 1.00 73.31 O ATOM 177 CB LEU A 11 -0.586 4.809 -0.796 1.00 22.21 C ATOM 178 CG LEU A 11 0.680 4.000 -0.497 1.00 21.43 C ATOM 179 CD1 LEU A 11 1.933 4.701 -0.993 1.00 73.32 C ATOM 180 CD2 LEU A 11 0.766 3.736 0.986 1.00 72.01 C ATOM 0 H LEU A 11 -2.839 5.466 -1.372 1.00 52.45 H new ATOM 0 HA LEU A 11 -0.401 5.639 -2.789 1.00 45.13 H new ATOM 0 HB2 LEU A 11 -0.438 5.819 -0.414 1.00 22.21 H new ATOM 0 HB3 LEU A 11 -1.408 4.371 -0.229 1.00 22.21 H new ATOM 0 HG LEU A 11 0.616 3.053 -1.033 1.00 21.43 H new ATOM 0 HD11 LEU A 11 2.807 4.092 -0.760 1.00 73.32 H new ATOM 0 HD12 LEU A 11 1.867 4.844 -2.072 1.00 73.32 H new ATOM 0 HD13 LEU A 11 2.025 5.671 -0.504 1.00 73.32 H new ATOM 0 HD21 LEU A 11 1.666 3.160 1.201 1.00 72.01 H new ATOM 0 HD22 LEU A 11 0.804 4.684 1.523 1.00 72.01 H new ATOM 0 HD23 LEU A 11 -0.110 3.173 1.307 1.00 72.01 H new ATOM 192 N LEU A 12 -1.863 2.723 -2.894 1.00 71.24 N ATOM 193 CA LEU A 12 -1.877 1.419 -3.552 1.00 4.10 C ATOM 194 C LEU A 12 -2.030 1.582 -5.064 1.00 65.24 C ATOM 195 O LEU A 12 -1.431 0.844 -5.839 1.00 53.33 O ATOM 196 CB LEU A 12 -3.021 0.573 -2.982 1.00 43.21 C ATOM 197 CG LEU A 12 -3.079 0.514 -1.450 1.00 3.53 C ATOM 198 CD1 LEU A 12 -4.266 -0.308 -0.977 1.00 22.11 C ATOM 199 CD2 LEU A 12 -1.783 -0.035 -0.877 1.00 11.13 C ATOM 0 H LEU A 12 -2.706 2.921 -2.355 1.00 71.24 H new ATOM 0 HA LEU A 12 -0.930 0.913 -3.363 1.00 4.10 H new ATOM 0 HB2 LEU A 12 -3.966 0.970 -3.352 1.00 43.21 H new ATOM 0 HB3 LEU A 12 -2.929 -0.443 -3.367 1.00 43.21 H new ATOM 0 HG LEU A 12 -3.208 1.533 -1.084 1.00 3.53 H new ATOM 0 HD11 LEU A 12 -4.281 -0.332 0.113 1.00 22.11 H new ATOM 0 HD12 LEU A 12 -5.189 0.142 -1.343 1.00 22.11 H new ATOM 0 HD13 LEU A 12 -4.181 -1.325 -1.361 1.00 22.11 H new ATOM 0 HD21 LEU A 12 -1.850 -0.066 0.210 1.00 11.13 H new ATOM 0 HD22 LEU A 12 -1.614 -1.042 -1.259 1.00 11.13 H new ATOM 0 HD23 LEU A 12 -0.954 0.609 -1.171 1.00 11.13 H new ATOM 211 N SER A 13 -2.816 2.588 -5.453 1.00 30.13 N ATOM 212 CA SER A 13 -3.058 2.933 -6.852 1.00 42.04 C ATOM 213 C SER A 13 -1.833 3.564 -7.533 1.00 63.34 C ATOM 214 O SER A 13 -1.733 3.522 -8.762 1.00 21.13 O ATOM 215 CB SER A 13 -4.251 3.881 -6.944 1.00 74.11 C ATOM 216 OG SER A 13 -4.662 4.077 -8.286 1.00 73.14 O ATOM 0 H SER A 13 -3.308 3.193 -4.795 1.00 30.13 H new ATOM 0 HA SER A 13 -3.269 2.004 -7.382 1.00 42.04 H new ATOM 0 HB2 SER A 13 -5.081 3.478 -6.364 1.00 74.11 H new ATOM 0 HB3 SER A 13 -3.988 4.841 -6.500 1.00 74.11 H new ATOM 0 HG SER A 13 -5.428 4.688 -8.308 1.00 73.14 H new ATOM 222 N ILE A 14 -0.925 4.165 -6.738 1.00 15.14 N ATOM 223 CA ILE A 14 0.315 4.770 -7.255 1.00 53.44 C ATOM 224 C ILE A 14 1.187 3.699 -7.922 1.00 72.42 C ATOM 225 O ILE A 14 1.680 3.885 -9.036 1.00 45.24 O ATOM 226 CB ILE A 14 1.148 5.454 -6.116 1.00 30.21 C ATOM 227 CG1 ILE A 14 0.319 6.477 -5.318 1.00 12.31 C ATOM 228 CG2 ILE A 14 2.411 6.124 -6.666 1.00 53.43 C ATOM 229 CD1 ILE A 14 -0.097 7.717 -6.086 1.00 35.23 C ATOM 0 H ILE A 14 -1.031 4.244 -5.727 1.00 15.14 H new ATOM 0 HA ILE A 14 0.023 5.530 -7.980 1.00 53.44 H new ATOM 0 HB ILE A 14 1.442 4.655 -5.435 1.00 30.21 H new ATOM 0 HG12 ILE A 14 -0.578 5.982 -4.947 1.00 12.31 H new ATOM 0 HG13 ILE A 14 0.896 6.786 -4.447 1.00 12.31 H new ATOM 0 HG21 ILE A 14 2.963 6.587 -5.848 1.00 53.43 H new ATOM 0 HG22 ILE A 14 3.039 5.375 -7.149 1.00 53.43 H new ATOM 0 HG23 ILE A 14 2.131 6.887 -7.393 1.00 53.43 H new ATOM 0 HD11 ILE A 14 -0.675 8.372 -5.434 1.00 35.23 H new ATOM 0 HD12 ILE A 14 0.791 8.244 -6.434 1.00 35.23 H new ATOM 0 HD13 ILE A 14 -0.706 7.427 -6.942 1.00 35.23 H new ATOM 241 N TYR A 15 1.331 2.562 -7.247 1.00 23.11 N ATOM 242 CA TYR A 15 2.221 1.516 -7.712 1.00 21.24 C ATOM 243 C TYR A 15 1.438 0.338 -8.288 1.00 62.14 C ATOM 244 O TYR A 15 1.200 0.323 -9.491 1.00 72.12 O ATOM 245 CB TYR A 15 3.182 1.095 -6.586 1.00 73.12 C ATOM 246 CG TYR A 15 4.040 2.248 -6.099 1.00 51.21 C ATOM 247 CD1 TYR A 15 5.167 2.640 -6.808 1.00 14.52 C ATOM 248 CD2 TYR A 15 3.697 2.969 -4.961 1.00 54.51 C ATOM 249 CE1 TYR A 15 5.928 3.714 -6.398 1.00 32.33 C ATOM 250 CE2 TYR A 15 4.450 4.052 -4.549 1.00 23.34 C ATOM 251 CZ TYR A 15 5.568 4.416 -5.270 1.00 63.43 C ATOM 252 OH TYR A 15 6.317 5.500 -4.878 1.00 34.03 O ATOM 0 H TYR A 15 0.841 2.347 -6.378 1.00 23.11 H new ATOM 0 HA TYR A 15 2.828 1.907 -8.528 1.00 21.24 H new ATOM 0 HB2 TYR A 15 2.607 0.695 -5.751 1.00 73.12 H new ATOM 0 HB3 TYR A 15 3.826 0.291 -6.943 1.00 73.12 H new ATOM 0 HD1 TYR A 15 5.452 2.095 -7.695 1.00 14.52 H new ATOM 0 HD2 TYR A 15 2.828 2.678 -4.390 1.00 54.51 H new ATOM 0 HE1 TYR A 15 6.804 4.004 -6.960 1.00 32.33 H new ATOM 0 HE2 TYR A 15 4.165 4.609 -3.669 1.00 23.34 H new ATOM 0 HH TYR A 15 5.931 5.887 -4.064 1.00 34.03 H new ATOM 262 N ASN A 16 0.991 -0.579 -7.410 1.00 54.33 N ATOM 263 CA ASN A 16 0.320 -1.855 -7.770 1.00 35.40 C ATOM 264 C ASN A 16 1.053 -2.624 -8.894 1.00 23.22 C ATOM 265 O ASN A 16 0.761 -2.451 -10.080 1.00 65.35 O ATOM 266 CB ASN A 16 -1.157 -1.601 -8.138 1.00 71.41 C ATOM 267 CG ASN A 16 -1.984 -2.868 -8.284 1.00 43.12 C ATOM 268 OD1 ASN A 16 -1.730 -3.880 -7.631 1.00 32.31 O ATOM 269 ND2 ASN A 16 -2.983 -2.813 -9.150 1.00 74.43 N ATOM 0 H ASN A 16 1.086 -0.455 -6.402 1.00 54.33 H new ATOM 0 HA ASN A 16 0.358 -2.496 -6.889 1.00 35.40 H new ATOM 0 HB2 ASN A 16 -1.609 -0.971 -7.372 1.00 71.41 H new ATOM 0 HB3 ASN A 16 -1.197 -1.043 -9.074 1.00 71.41 H new ATOM 0 HD21 ASN A 16 -3.577 -3.629 -9.296 1.00 74.43 H new ATOM 0 HD22 ASN A 16 -3.159 -1.954 -9.671 1.00 74.43 H new ATOM 276 N GLU A 17 2.027 -3.447 -8.521 1.00 3.35 N ATOM 277 CA GLU A 17 2.795 -4.207 -9.511 1.00 44.41 C ATOM 278 C GLU A 17 2.176 -5.595 -9.724 1.00 4.34 C ATOM 279 O GLU A 17 1.389 -5.793 -10.652 1.00 24.35 O ATOM 280 CB GLU A 17 4.261 -4.319 -9.070 1.00 22.13 C ATOM 281 CG GLU A 17 5.211 -4.902 -10.112 1.00 22.43 C ATOM 282 CD GLU A 17 5.440 -3.974 -11.280 1.00 73.32 C ATOM 283 OE1 GLU A 17 6.042 -2.905 -11.077 1.00 42.22 O ATOM 284 OE2 GLU A 17 4.996 -4.294 -12.399 1.00 0.33 O ATOM 0 H GLU A 17 2.304 -3.607 -7.552 1.00 3.35 H new ATOM 0 HA GLU A 17 2.763 -3.677 -10.463 1.00 44.41 H new ATOM 0 HB2 GLU A 17 4.617 -3.327 -8.792 1.00 22.13 H new ATOM 0 HB3 GLU A 17 4.308 -4.937 -8.173 1.00 22.13 H new ATOM 0 HG2 GLU A 17 6.167 -5.127 -9.640 1.00 22.43 H new ATOM 0 HG3 GLU A 17 4.807 -5.846 -10.478 1.00 22.43 H new ATOM 291 N GLY A 18 2.533 -6.535 -8.857 1.00 14.23 N ATOM 292 CA GLY A 18 1.982 -7.863 -8.913 1.00 73.43 C ATOM 293 C GLY A 18 1.273 -8.179 -7.628 1.00 72.30 C ATOM 294 O GLY A 18 1.874 -8.752 -6.712 1.00 50.13 O ATOM 0 H GLY A 18 3.207 -6.390 -8.106 1.00 14.23 H new ATOM 0 HA2 GLY A 18 1.288 -7.943 -9.750 1.00 73.43 H new ATOM 0 HA3 GLY A 18 2.777 -8.588 -9.087 1.00 73.43 H new ATOM 298 N GLY A 19 0.018 -7.741 -7.546 1.00 31.11 N ATOM 299 CA GLY A 19 -0.765 -7.907 -6.338 1.00 24.30 C ATOM 300 C GLY A 19 -0.303 -6.971 -5.249 1.00 44.31 C ATOM 301 O GLY A 19 -0.035 -5.798 -5.511 1.00 24.23 O ATOM 0 H GLY A 19 -0.472 -7.269 -8.306 1.00 31.11 H new ATOM 0 HA2 GLY A 19 -1.817 -7.722 -6.556 1.00 24.30 H new ATOM 0 HA3 GLY A 19 -0.687 -8.937 -5.991 1.00 24.30 H new ATOM 305 N LYS A 20 -0.172 -7.505 -4.045 1.00 13.23 N ATOM 306 CA LYS A 20 0.299 -6.732 -2.910 1.00 74.30 C ATOM 307 C LYS A 20 1.781 -6.957 -2.671 1.00 62.11 C ATOM 308 O LYS A 20 2.421 -6.135 -2.045 1.00 64.34 O ATOM 309 CB LYS A 20 -0.526 -7.040 -1.639 1.00 24.35 C ATOM 310 CG LYS A 20 -0.480 -8.472 -1.085 1.00 54.33 C ATOM 311 CD LYS A 20 0.674 -8.676 -0.108 1.00 62.25 C ATOM 312 CE LYS A 20 0.587 -9.996 0.612 1.00 15.21 C ATOM 313 NZ LYS A 20 0.465 -11.152 -0.307 1.00 63.33 N ATOM 0 H LYS A 20 -0.387 -8.478 -3.829 1.00 13.23 H new ATOM 0 HA LYS A 20 0.157 -5.678 -3.147 1.00 74.30 H new ATOM 0 HB2 LYS A 20 -0.192 -6.365 -0.851 1.00 24.35 H new ATOM 0 HB3 LYS A 20 -1.567 -6.795 -1.848 1.00 24.35 H new ATOM 0 HG2 LYS A 20 -1.422 -8.696 -0.584 1.00 54.33 H new ATOM 0 HG3 LYS A 20 -0.383 -9.176 -1.911 1.00 54.33 H new ATOM 0 HD2 LYS A 20 1.619 -8.621 -0.649 1.00 62.25 H new ATOM 0 HD3 LYS A 20 0.677 -7.866 0.622 1.00 62.25 H new ATOM 0 HE2 LYS A 20 1.474 -10.124 1.232 1.00 15.21 H new ATOM 0 HE3 LYS A 20 -0.271 -9.981 1.284 1.00 15.21 H new ATOM 0 HZ1 LYS A 20 0.809 -12.011 0.168 1.00 63.33 H new ATOM 0 HZ2 LYS A 20 -0.532 -11.280 -0.574 1.00 63.33 H new ATOM 0 HZ3 LYS A 20 1.032 -10.978 -1.161 1.00 63.33 H new ATOM 327 N ARG A 21 2.303 -8.077 -3.161 1.00 2.13 N ATOM 328 CA ARG A 21 3.709 -8.433 -2.970 1.00 55.41 C ATOM 329 C ARG A 21 4.603 -7.511 -3.785 1.00 71.13 C ATOM 330 O ARG A 21 5.528 -6.913 -3.239 1.00 65.54 O ATOM 331 CB ARG A 21 3.938 -9.891 -3.359 1.00 72.15 C ATOM 332 CG ARG A 21 5.267 -10.461 -2.898 1.00 61.41 C ATOM 333 CD ARG A 21 5.394 -11.937 -3.232 1.00 1.32 C ATOM 334 NE ARG A 21 5.281 -12.205 -4.669 1.00 45.13 N ATOM 335 CZ ARG A 21 5.286 -13.425 -5.209 1.00 34.15 C ATOM 336 NH1 ARG A 21 5.405 -14.501 -4.447 1.00 25.13 N ATOM 337 NH2 ARG A 21 5.176 -13.564 -6.515 1.00 40.02 N ATOM 0 H ARG A 21 1.770 -8.761 -3.698 1.00 2.13 H new ATOM 0 HA ARG A 21 3.964 -8.312 -1.917 1.00 55.41 H new ATOM 0 HB2 ARG A 21 3.133 -10.496 -2.943 1.00 72.15 H new ATOM 0 HB3 ARG A 21 3.875 -9.979 -4.444 1.00 72.15 H new ATOM 0 HG2 ARG A 21 6.081 -9.910 -3.369 1.00 61.41 H new ATOM 0 HG3 ARG A 21 5.368 -10.322 -1.822 1.00 61.41 H new ATOM 0 HD2 ARG A 21 6.355 -12.305 -2.873 1.00 1.32 H new ATOM 0 HD3 ARG A 21 4.621 -12.493 -2.701 1.00 1.32 H new ATOM 0 HE ARG A 21 5.193 -11.406 -5.297 1.00 45.13 H new ATOM 0 HH11 ARG A 21 5.494 -14.402 -3.436 1.00 25.13 H new ATOM 0 HH12 ARG A 21 5.408 -15.429 -4.871 1.00 25.13 H new ATOM 0 HH21 ARG A 21 5.087 -12.740 -7.110 1.00 40.02 H new ATOM 0 HH22 ARG A 21 5.180 -14.495 -6.931 1.00 40.02 H new ATOM 351 N GLY A 22 4.284 -7.382 -5.076 1.00 42.32 N ATOM 352 CA GLY A 22 4.992 -6.466 -5.960 1.00 3.51 C ATOM 353 C GLY A 22 4.716 -5.010 -5.633 1.00 5.43 C ATOM 354 O GLY A 22 5.551 -4.150 -5.875 1.00 23.34 O ATOM 0 H GLY A 22 3.535 -7.906 -5.529 1.00 42.32 H new ATOM 0 HA2 GLY A 22 6.063 -6.654 -5.889 1.00 3.51 H new ATOM 0 HA3 GLY A 22 4.701 -6.664 -6.992 1.00 3.51 H new ATOM 358 N LEU A 23 3.525 -4.749 -5.093 1.00 42.34 N ATOM 359 CA LEU A 23 3.152 -3.434 -4.568 1.00 53.00 C ATOM 360 C LEU A 23 4.046 -3.042 -3.380 1.00 71.43 C ATOM 361 O LEU A 23 4.495 -1.907 -3.307 1.00 21.34 O ATOM 362 CB LEU A 23 1.672 -3.472 -4.170 1.00 42.24 C ATOM 363 CG LEU A 23 1.127 -2.328 -3.315 1.00 11.41 C ATOM 364 CD1 LEU A 23 1.138 -1.002 -4.054 1.00 45.11 C ATOM 365 CD2 LEU A 23 -0.269 -2.672 -2.860 1.00 60.35 C ATOM 0 H LEU A 23 2.787 -5.448 -5.007 1.00 42.34 H new ATOM 0 HA LEU A 23 3.299 -2.674 -5.335 1.00 53.00 H new ATOM 0 HB2 LEU A 23 1.082 -3.515 -5.085 1.00 42.24 H new ATOM 0 HB3 LEU A 23 1.495 -4.404 -3.633 1.00 42.24 H new ATOM 0 HG LEU A 23 1.780 -2.208 -2.450 1.00 11.41 H new ATOM 0 HD11 LEU A 23 0.742 -0.221 -3.405 1.00 45.11 H new ATOM 0 HD12 LEU A 23 2.160 -0.753 -4.339 1.00 45.11 H new ATOM 0 HD13 LEU A 23 0.520 -1.079 -4.949 1.00 45.11 H new ATOM 0 HD21 LEU A 23 -0.663 -1.860 -2.250 1.00 60.35 H new ATOM 0 HD22 LEU A 23 -0.910 -2.816 -3.730 1.00 60.35 H new ATOM 0 HD23 LEU A 23 -0.244 -3.589 -2.271 1.00 60.35 H new ATOM 377 N MET A 24 4.324 -4.003 -2.490 1.00 1.12 N ATOM 378 CA MET A 24 5.207 -3.793 -1.338 1.00 22.25 C ATOM 379 C MET A 24 6.646 -3.567 -1.769 1.00 64.32 C ATOM 380 O MET A 24 7.331 -2.740 -1.183 1.00 41.45 O ATOM 381 CB MET A 24 5.156 -4.977 -0.371 1.00 61.41 C ATOM 382 CG MET A 24 3.914 -5.021 0.493 1.00 21.10 C ATOM 383 SD MET A 24 3.899 -6.426 1.619 1.00 0.23 S ATOM 384 CE MET A 24 2.398 -6.094 2.537 1.00 54.00 C ATOM 0 H MET A 24 3.943 -4.947 -2.549 1.00 1.12 H new ATOM 0 HA MET A 24 4.844 -2.899 -0.830 1.00 22.25 H new ATOM 0 HB2 MET A 24 5.219 -5.902 -0.944 1.00 61.41 H new ATOM 0 HB3 MET A 24 6.033 -4.942 0.275 1.00 61.41 H new ATOM 0 HG2 MET A 24 3.845 -4.098 1.069 1.00 21.10 H new ATOM 0 HG3 MET A 24 3.033 -5.064 -0.147 1.00 21.10 H new ATOM 0 HE1 MET A 24 2.649 -5.859 3.571 1.00 54.00 H new ATOM 0 HE2 MET A 24 1.877 -5.248 2.089 1.00 54.00 H new ATOM 0 HE3 MET A 24 1.754 -6.973 2.511 1.00 54.00 H new ATOM 394 N GLU A 25 7.089 -4.290 -2.809 1.00 30.13 N ATOM 395 CA GLU A 25 8.443 -4.127 -3.354 1.00 71.43 C ATOM 396 C GLU A 25 8.609 -2.753 -4.007 1.00 64.11 C ATOM 397 O GLU A 25 9.651 -2.133 -3.887 1.00 43.41 O ATOM 398 CB GLU A 25 8.770 -5.213 -4.391 1.00 51.44 C ATOM 399 CG GLU A 25 8.659 -6.644 -3.894 1.00 12.12 C ATOM 400 CD GLU A 25 9.463 -6.912 -2.642 1.00 74.42 C ATOM 401 OE1 GLU A 25 10.703 -6.817 -2.684 1.00 43.42 O ATOM 402 OE2 GLU A 25 8.850 -7.206 -1.604 1.00 61.03 O ATOM 0 H GLU A 25 6.528 -4.994 -3.289 1.00 30.13 H new ATOM 0 HA GLU A 25 9.133 -4.219 -2.515 1.00 71.43 H new ATOM 0 HB2 GLU A 25 8.102 -5.090 -5.244 1.00 51.44 H new ATOM 0 HB3 GLU A 25 9.785 -5.050 -4.755 1.00 51.44 H new ATOM 0 HG2 GLU A 25 7.611 -6.872 -3.699 1.00 12.12 H new ATOM 0 HG3 GLU A 25 8.991 -7.320 -4.681 1.00 12.12 H new ATOM 409 N ASN A 26 7.553 -2.291 -4.677 1.00 62.21 N ATOM 410 CA ASN A 26 7.543 -0.988 -5.344 1.00 43.12 C ATOM 411 C ASN A 26 7.504 0.165 -4.359 1.00 62.13 C ATOM 412 O ASN A 26 8.078 1.207 -4.619 1.00 23.10 O ATOM 413 CB ASN A 26 6.360 -0.891 -6.295 1.00 11.21 C ATOM 414 CG ASN A 26 6.759 -1.136 -7.729 1.00 30.42 C ATOM 415 OD1 ASN A 26 7.040 -0.199 -8.468 1.00 15.51 O ATOM 416 ND2 ASN A 26 6.815 -2.391 -8.124 1.00 65.41 N ATOM 0 H ASN A 26 6.680 -2.810 -4.773 1.00 62.21 H new ATOM 0 HA ASN A 26 8.474 -0.911 -5.905 1.00 43.12 H new ATOM 0 HB2 ASN A 26 5.600 -1.616 -6.002 1.00 11.21 H new ATOM 0 HB3 ASN A 26 5.907 0.097 -6.209 1.00 11.21 H new ATOM 0 HD21 ASN A 26 7.101 -2.613 -9.078 1.00 65.41 H new ATOM 0 HD22 ASN A 26 6.573 -3.141 -7.476 1.00 65.41 H new ATOM 423 N ILE A 27 6.824 -0.030 -3.233 1.00 32.32 N ATOM 424 CA ILE A 27 6.769 0.971 -2.172 1.00 43.23 C ATOM 425 C ILE A 27 8.119 1.078 -1.443 1.00 2.23 C ATOM 426 O ILE A 27 8.632 2.176 -1.270 1.00 14.42 O ATOM 427 CB ILE A 27 5.598 0.667 -1.181 1.00 15.14 C ATOM 428 CG1 ILE A 27 4.256 0.999 -1.862 1.00 31.23 C ATOM 429 CG2 ILE A 27 5.741 1.430 0.135 1.00 24.22 C ATOM 430 CD1 ILE A 27 3.022 0.658 -1.047 1.00 10.40 C ATOM 0 H ILE A 27 6.299 -0.881 -3.031 1.00 32.32 H new ATOM 0 HA ILE A 27 6.570 1.941 -2.628 1.00 43.23 H new ATOM 0 HB ILE A 27 5.631 -0.393 -0.931 1.00 15.14 H new ATOM 0 HG12 ILE A 27 4.237 2.064 -2.094 1.00 31.23 H new ATOM 0 HG13 ILE A 27 4.205 0.465 -2.811 1.00 31.23 H new ATOM 0 HG21 ILE A 27 4.904 1.186 0.790 1.00 24.22 H new ATOM 0 HG22 ILE A 27 6.676 1.148 0.620 1.00 24.22 H new ATOM 0 HG23 ILE A 27 5.745 2.502 -0.064 1.00 24.22 H new ATOM 0 HD11 ILE A 27 2.128 0.928 -1.610 1.00 10.40 H new ATOM 0 HD12 ILE A 27 3.009 -0.411 -0.837 1.00 10.40 H new ATOM 0 HD13 ILE A 27 3.041 1.212 -0.109 1.00 10.40 H new ATOM 442 N ASN A 28 8.710 -0.069 -1.082 1.00 0.21 N ATOM 443 CA ASN A 28 9.959 -0.094 -0.305 1.00 13.33 C ATOM 444 C ASN A 28 11.181 0.339 -1.120 1.00 12.32 C ATOM 445 O ASN A 28 12.113 0.925 -0.568 1.00 65.25 O ATOM 446 CB ASN A 28 10.193 -1.476 0.308 1.00 42.31 C ATOM 447 CG ASN A 28 9.467 -1.661 1.632 1.00 12.00 C ATOM 448 OD1 ASN A 28 10.006 -1.346 2.689 1.00 34.52 O ATOM 449 ND2 ASN A 28 8.254 -2.187 1.590 1.00 52.44 N ATOM 0 H ASN A 28 8.344 -0.992 -1.315 1.00 0.21 H new ATOM 0 HA ASN A 28 9.835 0.637 0.494 1.00 13.33 H new ATOM 0 HB2 ASN A 28 9.861 -2.241 -0.394 1.00 42.31 H new ATOM 0 HB3 ASN A 28 11.262 -1.625 0.460 1.00 42.31 H new ATOM 0 HD21 ASN A 28 7.735 -2.343 2.454 1.00 52.44 H new ATOM 0 HD22 ASN A 28 7.837 -2.437 0.693 1.00 52.44 H new ATOM 456 N ALA A 29 11.172 0.069 -2.428 1.00 50.41 N ATOM 457 CA ALA A 29 12.259 0.506 -3.314 1.00 14.32 C ATOM 458 C ALA A 29 12.138 1.989 -3.661 1.00 72.43 C ATOM 459 O ALA A 29 13.145 2.668 -3.860 1.00 70.14 O ATOM 460 CB ALA A 29 12.288 -0.324 -4.588 1.00 41.12 C ATOM 0 H ALA A 29 10.428 -0.448 -2.897 1.00 50.41 H new ATOM 0 HA ALA A 29 13.194 0.357 -2.774 1.00 14.32 H new ATOM 0 HB1 ALA A 29 13.101 0.019 -5.227 1.00 41.12 H new ATOM 0 HB2 ALA A 29 12.443 -1.373 -4.335 1.00 41.12 H new ATOM 0 HB3 ALA A 29 11.341 -0.214 -5.116 1.00 41.12 H new ATOM 466 N ALA A 30 10.904 2.492 -3.702 1.00 3.54 N ATOM 467 CA ALA A 30 10.657 3.883 -4.052 1.00 35.40 C ATOM 468 C ALA A 30 10.401 4.756 -2.826 1.00 32.41 C ATOM 469 O ALA A 30 9.858 5.840 -2.963 1.00 2.13 O ATOM 470 CB ALA A 30 9.509 3.997 -5.043 1.00 33.23 C ATOM 0 H ALA A 30 10.062 1.953 -3.496 1.00 3.54 H new ATOM 0 HA ALA A 30 11.566 4.256 -4.525 1.00 35.40 H new ATOM 0 HB1 ALA A 30 9.344 5.046 -5.289 1.00 33.23 H new ATOM 0 HB2 ALA A 30 9.756 3.446 -5.950 1.00 33.23 H new ATOM 0 HB3 ALA A 30 8.604 3.581 -4.601 1.00 33.23 H new ATOM 476 N LEU A 31 10.796 4.278 -1.635 1.00 31.01 N ATOM 477 CA LEU A 31 10.768 5.088 -0.399 1.00 54.45 C ATOM 478 C LEU A 31 11.605 6.393 -0.494 1.00 13.11 C ATOM 479 O LEU A 31 11.097 7.444 -0.105 1.00 63.22 O ATOM 480 CB LEU A 31 11.208 4.267 0.827 1.00 24.03 C ATOM 481 CG LEU A 31 10.213 3.223 1.342 1.00 53.41 C ATOM 482 CD1 LEU A 31 10.843 2.401 2.453 1.00 42.25 C ATOM 483 CD2 LEU A 31 8.937 3.887 1.842 1.00 1.21 C ATOM 0 H LEU A 31 11.141 3.328 -1.498 1.00 31.01 H new ATOM 0 HA LEU A 31 9.727 5.386 -0.274 1.00 54.45 H new ATOM 0 HB2 LEU A 31 12.140 3.758 0.580 1.00 24.03 H new ATOM 0 HB3 LEU A 31 11.428 4.959 1.640 1.00 24.03 H new ATOM 0 HG LEU A 31 9.954 2.563 0.514 1.00 53.41 H new ATOM 0 HD11 LEU A 31 10.126 1.662 2.811 1.00 42.25 H new ATOM 0 HD12 LEU A 31 11.728 1.892 2.072 1.00 42.25 H new ATOM 0 HD13 LEU A 31 11.128 3.058 3.275 1.00 42.25 H new ATOM 0 HD21 LEU A 31 8.247 3.124 2.202 1.00 1.21 H new ATOM 0 HD22 LEU A 31 9.178 4.572 2.655 1.00 1.21 H new ATOM 0 HD23 LEU A 31 8.472 4.441 1.027 1.00 1.21 H new ATOM 495 N PRO A 32 12.887 6.397 -1.012 1.00 73.40 N ATOM 496 CA PRO A 32 13.640 7.656 -1.206 1.00 35.54 C ATOM 497 C PRO A 32 13.051 8.557 -2.305 1.00 0.13 C ATOM 498 O PRO A 32 13.329 9.754 -2.347 1.00 35.43 O ATOM 499 CB PRO A 32 15.041 7.195 -1.622 1.00 32.11 C ATOM 500 CG PRO A 32 15.113 5.752 -1.294 1.00 1.34 C ATOM 501 CD PRO A 32 13.719 5.234 -1.405 1.00 23.24 C ATOM 0 HA PRO A 32 13.616 8.258 -0.297 1.00 35.54 H new ATOM 0 HB2 PRO A 32 15.206 7.361 -2.687 1.00 32.11 H new ATOM 0 HB3 PRO A 32 15.810 7.755 -1.089 1.00 32.11 H new ATOM 0 HG2 PRO A 32 15.779 5.229 -1.980 1.00 1.34 H new ATOM 0 HG3 PRO A 32 15.507 5.600 -0.289 1.00 1.34 H new ATOM 0 HD2 PRO A 32 13.493 4.903 -2.419 1.00 23.24 H new ATOM 0 HD3 PRO A 32 13.554 4.381 -0.747 1.00 23.24 H new ATOM 509 N PHE A 33 12.222 7.978 -3.176 1.00 53.22 N ATOM 510 CA PHE A 33 11.657 8.697 -4.314 1.00 51.24 C ATOM 511 C PHE A 33 10.325 9.354 -3.958 1.00 74.21 C ATOM 512 O PHE A 33 10.008 10.418 -4.476 1.00 53.03 O ATOM 513 CB PHE A 33 11.480 7.753 -5.507 1.00 44.41 C ATOM 514 CG PHE A 33 12.766 7.125 -5.967 1.00 73.31 C ATOM 515 CD1 PHE A 33 13.663 7.838 -6.741 1.00 73.23 C ATOM 516 CD2 PHE A 33 13.078 5.819 -5.625 1.00 64.11 C ATOM 517 CE1 PHE A 33 14.846 7.264 -7.160 1.00 31.15 C ATOM 518 CE2 PHE A 33 14.257 5.241 -6.042 1.00 31.53 C ATOM 519 CZ PHE A 33 15.140 5.964 -6.814 1.00 21.40 C ATOM 0 H PHE A 33 11.926 7.004 -3.111 1.00 53.22 H new ATOM 0 HA PHE A 33 12.357 9.487 -4.586 1.00 51.24 H new ATOM 0 HB2 PHE A 33 10.776 6.966 -5.237 1.00 44.41 H new ATOM 0 HB3 PHE A 33 11.037 8.306 -6.336 1.00 44.41 H new ATOM 0 HD1 PHE A 33 13.435 8.856 -7.021 1.00 73.23 H new ATOM 0 HD2 PHE A 33 12.388 5.246 -5.023 1.00 64.11 H new ATOM 0 HE1 PHE A 33 15.541 7.834 -7.759 1.00 31.15 H new ATOM 0 HE2 PHE A 33 14.489 4.223 -5.764 1.00 31.53 H new ATOM 0 HZ PHE A 33 16.062 5.511 -7.148 1.00 21.40 H new ATOM 529 N MET A 34 9.554 8.726 -3.070 1.00 23.40 N ATOM 530 CA MET A 34 8.261 9.267 -2.640 1.00 41.45 C ATOM 531 C MET A 34 8.452 10.334 -1.552 1.00 21.44 C ATOM 532 O MET A 34 9.547 10.484 -1.005 1.00 1.22 O ATOM 533 CB MET A 34 7.319 8.148 -2.144 1.00 50.43 C ATOM 534 CG MET A 34 7.816 7.413 -0.905 1.00 51.02 C ATOM 535 SD MET A 34 6.660 6.191 -0.250 1.00 42.55 S ATOM 536 CE MET A 34 6.635 4.972 -1.556 1.00 61.01 C ATOM 0 H MET A 34 9.802 7.839 -2.632 1.00 23.40 H new ATOM 0 HA MET A 34 7.795 9.736 -3.506 1.00 41.45 H new ATOM 0 HB2 MET A 34 6.342 8.581 -1.928 1.00 50.43 H new ATOM 0 HB3 MET A 34 7.177 7.426 -2.948 1.00 50.43 H new ATOM 0 HG2 MET A 34 8.755 6.915 -1.145 1.00 51.02 H new ATOM 0 HG3 MET A 34 8.033 8.144 -0.126 1.00 51.02 H new ATOM 0 HE1 MET A 34 5.628 4.898 -1.965 1.00 61.01 H new ATOM 0 HE2 MET A 34 7.326 5.269 -2.345 1.00 61.01 H new ATOM 0 HE3 MET A 34 6.936 4.004 -1.156 1.00 61.01 H new ATOM 546 N ASP A 35 7.374 11.057 -1.248 1.00 45.13 N ATOM 547 CA ASP A 35 7.409 12.156 -0.277 1.00 2.22 C ATOM 548 C ASP A 35 7.387 11.652 1.154 1.00 64.25 C ATOM 549 O ASP A 35 7.170 10.473 1.398 1.00 22.13 O ATOM 550 CB ASP A 35 6.226 13.100 -0.478 1.00 15.44 C ATOM 551 CG ASP A 35 6.269 13.824 -1.796 1.00 5.22 C ATOM 552 OD1 ASP A 35 5.784 13.264 -2.792 1.00 3.23 O ATOM 553 OD2 ASP A 35 6.772 14.959 -1.840 1.00 42.43 O ATOM 0 H ASP A 35 6.456 10.900 -1.664 1.00 45.13 H new ATOM 0 HA ASP A 35 8.344 12.689 -0.449 1.00 2.22 H new ATOM 0 HB2 ASP A 35 5.299 12.531 -0.413 1.00 15.44 H new ATOM 0 HB3 ASP A 35 6.209 13.830 0.331 1.00 15.44 H new ATOM 558 N GLU A 36 7.587 12.575 2.091 1.00 25.15 N ATOM 559 CA GLU A 36 7.592 12.280 3.525 1.00 35.15 C ATOM 560 C GLU A 36 6.233 11.790 4.039 1.00 11.33 C ATOM 561 O GLU A 36 6.178 10.905 4.886 1.00 64.52 O ATOM 562 CB GLU A 36 8.066 13.509 4.339 1.00 42.15 C ATOM 563 CG GLU A 36 7.138 14.737 4.378 1.00 22.41 C ATOM 564 CD GLU A 36 6.968 15.447 3.042 1.00 54.01 C ATOM 565 OE1 GLU A 36 7.865 16.221 2.657 1.00 3.23 O ATOM 566 OE2 GLU A 36 5.948 15.209 2.365 1.00 62.54 O ATOM 0 H GLU A 36 7.752 13.558 1.876 1.00 25.15 H new ATOM 0 HA GLU A 36 8.298 11.462 3.669 1.00 35.15 H new ATOM 0 HB2 GLU A 36 8.240 13.186 5.365 1.00 42.15 H new ATOM 0 HB3 GLU A 36 9.028 13.827 3.938 1.00 42.15 H new ATOM 0 HG2 GLU A 36 6.157 14.423 4.735 1.00 22.41 H new ATOM 0 HG3 GLU A 36 7.529 15.448 5.105 1.00 22.41 H new ATOM 573 N ASP A 37 5.153 12.356 3.497 1.00 5.11 N ATOM 574 CA ASP A 37 3.792 11.990 3.885 1.00 55.34 C ATOM 575 C ASP A 37 3.422 10.622 3.329 1.00 62.10 C ATOM 576 O ASP A 37 2.745 9.843 3.997 1.00 21.55 O ATOM 577 CB ASP A 37 2.795 13.054 3.409 1.00 73.14 C ATOM 578 CG ASP A 37 1.370 12.784 3.872 1.00 32.05 C ATOM 579 OD1 ASP A 37 1.104 12.903 5.084 1.00 71.41 O ATOM 580 OD2 ASP A 37 0.518 12.447 3.026 1.00 32.13 O ATOM 0 H ASP A 37 5.198 13.079 2.779 1.00 5.11 H new ATOM 0 HA ASP A 37 3.748 11.937 4.973 1.00 55.34 H new ATOM 0 HB2 ASP A 37 3.111 14.030 3.776 1.00 73.14 H new ATOM 0 HB3 ASP A 37 2.815 13.101 2.320 1.00 73.14 H new ATOM 585 N MET A 38 3.909 10.325 2.121 1.00 42.22 N ATOM 586 CA MET A 38 3.656 9.043 1.471 1.00 72.14 C ATOM 587 C MET A 38 4.483 7.918 2.124 1.00 40.15 C ATOM 588 O MET A 38 4.028 6.783 2.173 1.00 2.03 O ATOM 589 CB MET A 38 3.934 9.154 -0.041 1.00 25.24 C ATOM 590 CG MET A 38 3.535 7.911 -0.831 1.00 51.21 C ATOM 591 SD MET A 38 3.563 8.139 -2.619 1.00 53.31 S ATOM 592 CE MET A 38 2.055 9.066 -2.862 1.00 74.33 C ATOM 0 H MET A 38 4.485 10.963 1.572 1.00 42.22 H new ATOM 0 HA MET A 38 2.606 8.783 1.603 1.00 72.14 H new ATOM 0 HB2 MET A 38 3.396 10.014 -0.438 1.00 25.24 H new ATOM 0 HB3 MET A 38 4.996 9.345 -0.193 1.00 25.24 H new ATOM 0 HG2 MET A 38 4.208 7.095 -0.568 1.00 51.21 H new ATOM 0 HG3 MET A 38 2.533 7.607 -0.529 1.00 51.21 H new ATOM 0 HE1 MET A 38 1.865 9.178 -3.929 1.00 74.33 H new ATOM 0 HE2 MET A 38 1.223 8.535 -2.399 1.00 74.33 H new ATOM 0 HE3 MET A 38 2.156 10.051 -2.406 1.00 74.33 H new ATOM 602 N ARG A 39 5.673 8.253 2.658 1.00 42.12 N ATOM 603 CA ARG A 39 6.499 7.287 3.410 1.00 73.13 C ATOM 604 C ARG A 39 5.861 6.913 4.736 1.00 33.30 C ATOM 605 O ARG A 39 5.889 5.747 5.130 1.00 1.41 O ATOM 606 CB ARG A 39 7.893 7.828 3.699 1.00 64.31 C ATOM 607 CG ARG A 39 8.808 7.849 2.502 1.00 21.14 C ATOM 608 CD ARG A 39 10.223 8.252 2.879 1.00 14.34 C ATOM 609 NE ARG A 39 10.312 9.616 3.406 1.00 45.42 N ATOM 610 CZ ARG A 39 10.888 10.633 2.757 1.00 2.22 C ATOM 611 NH1 ARG A 39 11.312 10.483 1.511 1.00 74.23 N ATOM 612 NH2 ARG A 39 11.024 11.806 3.354 1.00 14.15 N ATOM 0 H ARG A 39 6.084 9.184 2.583 1.00 42.12 H new ATOM 0 HA ARG A 39 6.573 6.407 2.771 1.00 73.13 H new ATOM 0 HB2 ARG A 39 7.803 8.841 4.091 1.00 64.31 H new ATOM 0 HB3 ARG A 39 8.351 7.222 4.481 1.00 64.31 H new ATOM 0 HG2 ARG A 39 8.823 6.863 2.039 1.00 21.14 H new ATOM 0 HG3 ARG A 39 8.418 8.545 1.759 1.00 21.14 H new ATOM 0 HD2 ARG A 39 10.606 7.555 3.625 1.00 14.34 H new ATOM 0 HD3 ARG A 39 10.865 8.165 2.002 1.00 14.34 H new ATOM 0 HE ARG A 39 9.910 9.801 4.325 1.00 45.42 H new ATOM 0 HH11 ARG A 39 11.200 9.586 1.039 1.00 74.23 H new ATOM 0 HH12 ARG A 39 11.750 11.265 1.024 1.00 74.23 H new ATOM 0 HH21 ARG A 39 10.689 11.934 4.309 1.00 14.15 H new ATOM 0 HH22 ARG A 39 11.463 12.582 2.859 1.00 14.15 H new ATOM 626 N GLU A 40 5.305 7.918 5.422 1.00 32.31 N ATOM 627 CA GLU A 40 4.565 7.713 6.662 1.00 64.04 C ATOM 628 C GLU A 40 3.356 6.826 6.435 1.00 20.24 C ATOM 629 O GLU A 40 3.157 5.856 7.159 1.00 12.44 O ATOM 630 CB GLU A 40 4.109 9.057 7.240 1.00 65.34 C ATOM 631 CG GLU A 40 5.237 9.902 7.787 1.00 5.21 C ATOM 632 CD GLU A 40 5.983 9.219 8.903 1.00 41.22 C ATOM 633 OE1 GLU A 40 5.414 9.083 10.002 1.00 2.24 O ATOM 634 OE2 GLU A 40 7.138 8.806 8.686 1.00 14.33 O ATOM 0 H GLU A 40 5.358 8.894 5.129 1.00 32.31 H new ATOM 0 HA GLU A 40 5.233 7.221 7.370 1.00 64.04 H new ATOM 0 HB2 GLU A 40 3.591 9.619 6.463 1.00 65.34 H new ATOM 0 HB3 GLU A 40 3.387 8.873 8.035 1.00 65.34 H new ATOM 0 HG2 GLU A 40 5.932 10.139 6.982 1.00 5.21 H new ATOM 0 HG3 GLU A 40 4.835 10.848 8.149 1.00 5.21 H new ATOM 641 N LEU A 41 2.603 7.154 5.389 1.00 12.01 N ATOM 642 CA LEU A 41 1.381 6.451 5.015 1.00 52.32 C ATOM 643 C LEU A 41 1.656 4.989 4.676 1.00 65.30 C ATOM 644 O LEU A 41 0.931 4.108 5.125 1.00 62.34 O ATOM 645 CB LEU A 41 0.769 7.164 3.812 1.00 63.42 C ATOM 646 CG LEU A 41 -0.690 6.856 3.519 1.00 33.05 C ATOM 647 CD1 LEU A 41 -1.572 7.318 4.667 1.00 43.23 C ATOM 648 CD2 LEU A 41 -1.098 7.526 2.222 1.00 53.22 C ATOM 0 H LEU A 41 2.830 7.930 4.767 1.00 12.01 H new ATOM 0 HA LEU A 41 0.691 6.461 5.858 1.00 52.32 H new ATOM 0 HB2 LEU A 41 0.868 8.239 3.964 1.00 63.42 H new ATOM 0 HB3 LEU A 41 1.356 6.911 2.929 1.00 63.42 H new ATOM 0 HG LEU A 41 -0.816 5.778 3.414 1.00 33.05 H new ATOM 0 HD11 LEU A 41 -2.613 7.090 4.440 1.00 43.23 H new ATOM 0 HD12 LEU A 41 -1.278 6.803 5.582 1.00 43.23 H new ATOM 0 HD13 LEU A 41 -1.458 8.393 4.804 1.00 43.23 H new ATOM 0 HD21 LEU A 41 -2.144 7.305 2.012 1.00 53.22 H new ATOM 0 HD22 LEU A 41 -0.966 8.604 2.312 1.00 53.22 H new ATOM 0 HD23 LEU A 41 -0.478 7.151 1.408 1.00 53.22 H new ATOM 660 N ALA A 42 2.757 4.767 3.943 1.00 30.40 N ATOM 661 CA ALA A 42 3.176 3.448 3.456 1.00 24.55 C ATOM 662 C ALA A 42 3.331 2.414 4.563 1.00 70.10 C ATOM 663 O ALA A 42 2.853 1.299 4.423 1.00 74.41 O ATOM 664 CB ALA A 42 4.480 3.580 2.693 1.00 51.54 C ATOM 0 H ALA A 42 3.393 5.516 3.668 1.00 30.40 H new ATOM 0 HA ALA A 42 2.382 3.087 2.803 1.00 24.55 H new ATOM 0 HB1 ALA A 42 4.791 2.600 2.331 1.00 51.54 H new ATOM 0 HB2 ALA A 42 4.340 4.251 1.846 1.00 51.54 H new ATOM 0 HB3 ALA A 42 5.248 3.984 3.353 1.00 51.54 H new ATOM 670 N LYS A 43 3.956 2.822 5.669 1.00 61.42 N ATOM 671 CA LYS A 43 4.248 1.928 6.796 1.00 30.54 C ATOM 672 C LYS A 43 2.973 1.397 7.469 1.00 43.41 C ATOM 673 O LYS A 43 2.918 0.238 7.878 1.00 1.13 O ATOM 674 CB LYS A 43 5.116 2.663 7.821 1.00 34.25 C ATOM 675 CG LYS A 43 6.488 3.051 7.282 1.00 42.12 C ATOM 676 CD LYS A 43 7.305 3.844 8.292 1.00 22.24 C ATOM 677 CE LYS A 43 6.738 5.239 8.522 1.00 52.03 C ATOM 678 NZ LYS A 43 7.536 6.012 9.505 1.00 34.54 N ATOM 0 H LYS A 43 4.275 3.781 5.811 1.00 61.42 H new ATOM 0 HA LYS A 43 4.784 1.065 6.402 1.00 30.54 H new ATOM 0 HB2 LYS A 43 4.595 3.562 8.150 1.00 34.25 H new ATOM 0 HB3 LYS A 43 5.244 2.030 8.699 1.00 34.25 H new ATOM 0 HG2 LYS A 43 7.034 2.150 7.004 1.00 42.12 H new ATOM 0 HG3 LYS A 43 6.365 3.642 6.374 1.00 42.12 H new ATOM 0 HD2 LYS A 43 7.333 3.304 9.239 1.00 22.24 H new ATOM 0 HD3 LYS A 43 8.334 3.925 7.941 1.00 22.24 H new ATOM 0 HE2 LYS A 43 6.709 5.778 7.575 1.00 52.03 H new ATOM 0 HE3 LYS A 43 5.710 5.158 8.874 1.00 52.03 H new ATOM 0 HZ1 LYS A 43 7.448 7.028 9.301 1.00 34.54 H new ATOM 0 HZ2 LYS A 43 7.185 5.819 10.465 1.00 34.54 H new ATOM 0 HZ3 LYS A 43 8.535 5.731 9.439 1.00 34.54 H new ATOM 692 N ARG A 44 1.944 2.242 7.540 1.00 1.14 N ATOM 693 CA ARG A 44 0.677 1.876 8.177 1.00 23.25 C ATOM 694 C ARG A 44 -0.207 1.033 7.252 1.00 1.13 C ATOM 695 O ARG A 44 -0.906 0.131 7.718 1.00 50.10 O ATOM 696 CB ARG A 44 -0.097 3.118 8.658 1.00 3.32 C ATOM 697 CG ARG A 44 0.459 3.761 9.933 1.00 3.20 C ATOM 698 CD ARG A 44 1.667 4.646 9.666 1.00 13.54 C ATOM 699 NE ARG A 44 2.350 5.072 10.893 1.00 5.24 N ATOM 700 CZ ARG A 44 3.109 6.174 10.990 1.00 3.01 C ATOM 701 NH1 ARG A 44 3.179 7.040 9.994 1.00 64.14 N ATOM 702 NH2 ARG A 44 3.764 6.428 12.109 1.00 11.52 N ATOM 0 H ARG A 44 1.963 3.189 7.162 1.00 1.14 H new ATOM 0 HA ARG A 44 0.933 1.270 9.046 1.00 23.25 H new ATOM 0 HB2 ARG A 44 -0.096 3.862 7.861 1.00 3.32 H new ATOM 0 HB3 ARG A 44 -1.136 2.838 8.831 1.00 3.32 H new ATOM 0 HG2 ARG A 44 -0.323 4.354 10.407 1.00 3.20 H new ATOM 0 HG3 ARG A 44 0.736 2.978 10.639 1.00 3.20 H new ATOM 0 HD2 ARG A 44 2.372 4.107 9.033 1.00 13.54 H new ATOM 0 HD3 ARG A 44 1.348 5.528 9.110 1.00 13.54 H new ATOM 0 HE ARG A 44 2.241 4.493 11.726 1.00 5.24 H new ATOM 0 HH11 ARG A 44 2.652 6.875 9.137 1.00 64.14 H new ATOM 0 HH12 ARG A 44 3.760 7.873 10.083 1.00 64.14 H new ATOM 0 HH21 ARG A 44 3.692 5.786 12.899 1.00 11.52 H new ATOM 0 HH22 ARG A 44 4.341 7.266 12.183 1.00 11.52 H new ATOM 716 N THR A 45 -0.155 1.318 5.946 1.00 34.52 N ATOM 717 CA THR A 45 -0.959 0.610 4.952 1.00 32.13 C ATOM 718 C THR A 45 -0.446 -0.818 4.723 1.00 32.44 C ATOM 719 O THR A 45 -1.241 -1.752 4.616 1.00 32.52 O ATOM 720 CB THR A 45 -0.964 1.375 3.610 1.00 65.43 C ATOM 721 OG1 THR A 45 -1.243 2.755 3.842 1.00 21.21 O ATOM 722 CG2 THR A 45 -2.011 0.823 2.655 1.00 61.10 C ATOM 0 H THR A 45 0.444 2.044 5.553 1.00 34.52 H new ATOM 0 HA THR A 45 -1.975 0.553 5.342 1.00 32.13 H new ATOM 0 HB THR A 45 0.021 1.253 3.159 1.00 65.43 H new ATOM 0 HG1 THR A 45 -0.457 3.185 4.239 1.00 21.21 H new ATOM 0 HG21 THR A 45 -1.985 1.386 1.722 1.00 61.10 H new ATOM 0 HG22 THR A 45 -1.800 -0.227 2.451 1.00 61.10 H new ATOM 0 HG23 THR A 45 -2.999 0.914 3.106 1.00 61.10 H new ATOM 730 N LEU A 46 0.890 -0.985 4.693 1.00 71.12 N ATOM 731 CA LEU A 46 1.522 -2.300 4.479 1.00 40.23 C ATOM 732 C LEU A 46 1.252 -3.261 5.627 1.00 71.14 C ATOM 733 O LEU A 46 1.200 -4.462 5.411 1.00 73.12 O ATOM 734 CB LEU A 46 3.040 -2.187 4.281 1.00 71.11 C ATOM 735 CG LEU A 46 3.514 -1.379 3.070 1.00 31.13 C ATOM 736 CD1 LEU A 46 5.022 -1.471 2.951 1.00 23.33 C ATOM 737 CD2 LEU A 46 2.847 -1.847 1.783 1.00 74.42 C ATOM 0 H LEU A 46 1.555 -0.221 4.815 1.00 71.12 H new ATOM 0 HA LEU A 46 1.070 -2.694 3.569 1.00 40.23 H new ATOM 0 HB2 LEU A 46 3.468 -1.740 5.178 1.00 71.11 H new ATOM 0 HB3 LEU A 46 3.449 -3.194 4.200 1.00 71.11 H new ATOM 0 HG LEU A 46 3.226 -0.339 3.224 1.00 31.13 H new ATOM 0 HD11 LEU A 46 5.355 -0.895 2.088 1.00 23.33 H new ATOM 0 HD12 LEU A 46 5.483 -1.071 3.854 1.00 23.33 H new ATOM 0 HD13 LEU A 46 5.314 -2.514 2.825 1.00 23.33 H new ATOM 0 HD21 LEU A 46 3.210 -1.249 0.947 1.00 74.42 H new ATOM 0 HD22 LEU A 46 3.087 -2.896 1.610 1.00 74.42 H new ATOM 0 HD23 LEU A 46 1.767 -1.731 1.870 1.00 74.42 H new ATOM 749 N ALA A 47 1.064 -2.719 6.836 1.00 11.01 N ATOM 750 CA ALA A 47 0.741 -3.518 8.021 1.00 3.30 C ATOM 751 C ALA A 47 -0.675 -4.123 7.947 1.00 1.34 C ATOM 752 O ALA A 47 -0.960 -5.135 8.590 1.00 41.03 O ATOM 753 CB ALA A 47 0.884 -2.656 9.266 1.00 11.42 C ATOM 0 H ALA A 47 1.131 -1.718 7.019 1.00 11.01 H new ATOM 0 HA ALA A 47 1.441 -4.352 8.065 1.00 3.30 H new ATOM 0 HB1 ALA A 47 0.644 -3.249 10.149 1.00 11.42 H new ATOM 0 HB2 ALA A 47 1.909 -2.292 9.341 1.00 11.42 H new ATOM 0 HB3 ALA A 47 0.202 -1.808 9.202 1.00 11.42 H new ATOM 759 N LYS A 48 -1.546 -3.507 7.147 1.00 24.05 N ATOM 760 CA LYS A 48 -2.930 -3.956 7.001 1.00 1.44 C ATOM 761 C LYS A 48 -3.066 -5.020 5.913 1.00 71.23 C ATOM 762 O LYS A 48 -3.963 -5.864 5.976 1.00 32.23 O ATOM 763 CB LYS A 48 -3.839 -2.768 6.675 1.00 71.01 C ATOM 764 CG LYS A 48 -3.819 -1.671 7.724 1.00 41.30 C ATOM 765 CD LYS A 48 -4.408 -2.136 9.039 1.00 61.32 C ATOM 766 CE LYS A 48 -4.206 -1.103 10.131 1.00 14.24 C ATOM 767 NZ LYS A 48 -4.864 -1.509 11.392 1.00 54.13 N ATOM 0 H LYS A 48 -1.314 -2.688 6.585 1.00 24.05 H new ATOM 0 HA LYS A 48 -3.233 -4.400 7.949 1.00 1.44 H new ATOM 0 HB2 LYS A 48 -3.538 -2.346 5.716 1.00 71.01 H new ATOM 0 HB3 LYS A 48 -4.862 -3.127 6.559 1.00 71.01 H new ATOM 0 HG2 LYS A 48 -2.793 -1.339 7.883 1.00 41.30 H new ATOM 0 HG3 LYS A 48 -4.379 -0.810 7.360 1.00 41.30 H new ATOM 0 HD2 LYS A 48 -5.473 -2.332 8.914 1.00 61.32 H new ATOM 0 HD3 LYS A 48 -3.944 -3.077 9.335 1.00 61.32 H new ATOM 0 HE2 LYS A 48 -3.140 -0.961 10.306 1.00 14.24 H new ATOM 0 HE3 LYS A 48 -4.606 -0.143 9.804 1.00 14.24 H new ATOM 0 HZ1 LYS A 48 -4.706 -0.780 12.117 1.00 54.13 H new ATOM 0 HZ2 LYS A 48 -5.885 -1.620 11.230 1.00 54.13 H new ATOM 0 HZ3 LYS A 48 -4.464 -2.412 11.717 1.00 54.13 H new ATOM 781 N ILE A 49 -2.169 -4.981 4.921 1.00 41.53 N ATOM 782 CA ILE A 49 -2.230 -5.903 3.778 1.00 63.02 C ATOM 783 C ILE A 49 -1.264 -7.089 3.982 1.00 73.12 C ATOM 784 O ILE A 49 -1.313 -8.085 3.254 1.00 3.43 O ATOM 785 CB ILE A 49 -1.907 -5.170 2.440 1.00 31.31 C ATOM 786 CG1 ILE A 49 -2.591 -3.798 2.391 1.00 14.30 C ATOM 787 CG2 ILE A 49 -2.377 -5.997 1.250 1.00 32.12 C ATOM 788 CD1 ILE A 49 -2.120 -2.929 1.252 1.00 32.22 C ATOM 0 H ILE A 49 -1.392 -4.321 4.886 1.00 41.53 H new ATOM 0 HA ILE A 49 -3.249 -6.286 3.718 1.00 63.02 H new ATOM 0 HB ILE A 49 -0.826 -5.037 2.389 1.00 31.31 H new ATOM 0 HG12 ILE A 49 -3.668 -3.941 2.306 1.00 14.30 H new ATOM 0 HG13 ILE A 49 -2.412 -3.278 3.332 1.00 14.30 H new ATOM 0 HG21 ILE A 49 -2.143 -5.470 0.325 1.00 32.12 H new ATOM 0 HG22 ILE A 49 -1.871 -6.962 1.255 1.00 32.12 H new ATOM 0 HG23 ILE A 49 -3.454 -6.152 1.317 1.00 32.12 H new ATOM 0 HD11 ILE A 49 -2.647 -1.975 1.280 1.00 32.22 H new ATOM 0 HD12 ILE A 49 -1.048 -2.755 1.346 1.00 32.22 H new ATOM 0 HD13 ILE A 49 -2.324 -3.428 0.305 1.00 32.22 H new ATOM 800 N ALA A 50 -0.378 -6.960 4.979 1.00 3.31 N ATOM 801 CA ALA A 50 0.527 -8.040 5.401 1.00 50.22 C ATOM 802 C ALA A 50 -0.186 -9.373 5.761 1.00 60.51 C ATOM 803 O ALA A 50 0.290 -10.418 5.321 1.00 31.40 O ATOM 804 CB ALA A 50 1.413 -7.572 6.548 1.00 52.15 C ATOM 0 H ALA A 50 -0.268 -6.101 5.518 1.00 3.31 H new ATOM 0 HA ALA A 50 1.141 -8.269 4.530 1.00 50.22 H new ATOM 0 HB1 ALA A 50 2.077 -8.382 6.849 1.00 52.15 H new ATOM 0 HB2 ALA A 50 2.007 -6.718 6.224 1.00 52.15 H new ATOM 0 HB3 ALA A 50 0.790 -7.281 7.394 1.00 52.15 H new ATOM 810 N PRO A 51 -1.315 -9.405 6.563 1.00 51.42 N ATOM 811 CA PRO A 51 -2.055 -10.661 6.796 1.00 64.11 C ATOM 812 C PRO A 51 -2.875 -11.150 5.588 1.00 11.02 C ATOM 813 O PRO A 51 -3.318 -12.302 5.570 1.00 15.12 O ATOM 814 CB PRO A 51 -2.996 -10.314 7.952 1.00 74.34 C ATOM 815 CG PRO A 51 -3.211 -8.853 7.841 1.00 73.55 C ATOM 816 CD PRO A 51 -1.911 -8.295 7.355 1.00 52.23 C ATOM 0 HA PRO A 51 -1.361 -11.477 6.997 1.00 64.11 H new ATOM 0 HB2 PRO A 51 -3.937 -10.859 7.873 1.00 74.34 H new ATOM 0 HB3 PRO A 51 -2.555 -10.577 8.913 1.00 74.34 H new ATOM 0 HG2 PRO A 51 -4.020 -8.627 7.146 1.00 73.55 H new ATOM 0 HG3 PRO A 51 -3.488 -8.423 8.803 1.00 73.55 H new ATOM 0 HD2 PRO A 51 -2.062 -7.405 6.744 1.00 52.23 H new ATOM 0 HD3 PRO A 51 -1.266 -8.006 8.185 1.00 52.23 H new ATOM 824 N LEU A 52 -3.049 -10.297 4.576 1.00 74.13 N ATOM 825 CA LEU A 52 -3.876 -10.626 3.416 1.00 2.43 C ATOM 826 C LEU A 52 -3.061 -11.432 2.421 1.00 62.55 C ATOM 827 O LEU A 52 -1.885 -11.143 2.209 1.00 74.02 O ATOM 828 CB LEU A 52 -4.411 -9.359 2.727 1.00 34.31 C ATOM 829 CG LEU A 52 -5.207 -8.383 3.605 1.00 75.11 C ATOM 830 CD1 LEU A 52 -5.656 -7.194 2.775 1.00 31.12 C ATOM 831 CD2 LEU A 52 -6.411 -9.062 4.238 1.00 24.42 C ATOM 0 H LEU A 52 -2.626 -9.370 4.538 1.00 74.13 H new ATOM 0 HA LEU A 52 -4.727 -11.210 3.766 1.00 2.43 H new ATOM 0 HB2 LEU A 52 -3.565 -8.821 2.300 1.00 34.31 H new ATOM 0 HB3 LEU A 52 -5.046 -9.666 1.896 1.00 34.31 H new ATOM 0 HG LEU A 52 -4.555 -8.041 4.409 1.00 75.11 H new ATOM 0 HD11 LEU A 52 -6.220 -6.504 3.403 1.00 31.12 H new ATOM 0 HD12 LEU A 52 -4.783 -6.683 2.369 1.00 31.12 H new ATOM 0 HD13 LEU A 52 -6.288 -7.539 1.956 1.00 31.12 H new ATOM 0 HD21 LEU A 52 -6.952 -8.343 4.853 1.00 24.42 H new ATOM 0 HD22 LEU A 52 -7.069 -9.439 3.455 1.00 24.42 H new ATOM 0 HD23 LEU A 52 -6.075 -9.892 4.860 1.00 24.42 H new ATOM 843 N THR A 53 -3.677 -12.451 1.825 1.00 74.21 N ATOM 844 CA THR A 53 -2.979 -13.278 0.843 1.00 53.44 C ATOM 845 C THR A 53 -3.011 -12.601 -0.546 1.00 42.10 C ATOM 846 O THR A 53 -3.731 -11.615 -0.749 1.00 12.43 O ATOM 847 CB THR A 53 -3.518 -14.753 0.809 1.00 24.21 C ATOM 848 OG1 THR A 53 -2.744 -15.572 -0.082 1.00 3.43 O ATOM 849 CG2 THR A 53 -4.977 -14.837 0.400 1.00 75.23 C ATOM 0 H THR A 53 -4.645 -12.721 2.001 1.00 74.21 H new ATOM 0 HA THR A 53 -1.936 -13.358 1.151 1.00 53.44 H new ATOM 0 HB THR A 53 -3.424 -15.122 1.830 1.00 24.21 H new ATOM 0 HG1 THR A 53 -3.101 -16.484 -0.081 1.00 3.43 H new ATOM 0 HG21 THR A 53 -5.294 -15.880 0.394 1.00 75.23 H new ATOM 0 HG22 THR A 53 -5.586 -14.277 1.109 1.00 75.23 H new ATOM 0 HG23 THR A 53 -5.100 -14.415 -0.597 1.00 75.23 H new ATOM 857 N GLU A 54 -2.209 -13.128 -1.478 1.00 23.23 N ATOM 858 CA GLU A 54 -2.019 -12.554 -2.814 1.00 12.11 C ATOM 859 C GLU A 54 -3.322 -12.581 -3.626 1.00 74.41 C ATOM 860 O GLU A 54 -3.661 -11.613 -4.307 1.00 62.23 O ATOM 861 CB GLU A 54 -0.929 -13.351 -3.544 1.00 44.25 C ATOM 862 CG GLU A 54 -0.098 -12.520 -4.496 1.00 43.33 C ATOM 863 CD GLU A 54 0.696 -11.475 -3.752 1.00 71.20 C ATOM 864 OE1 GLU A 54 1.538 -11.851 -2.919 1.00 22.51 O ATOM 865 OE2 GLU A 54 0.442 -10.283 -3.955 1.00 40.33 O ATOM 0 H GLU A 54 -1.666 -13.977 -1.323 1.00 23.23 H new ATOM 0 HA GLU A 54 -1.718 -11.512 -2.709 1.00 12.11 H new ATOM 0 HB2 GLU A 54 -0.270 -13.808 -2.806 1.00 44.25 H new ATOM 0 HB3 GLU A 54 -1.397 -14.164 -4.100 1.00 44.25 H new ATOM 0 HG2 GLU A 54 0.579 -13.168 -5.053 1.00 43.33 H new ATOM 0 HG3 GLU A 54 -0.749 -12.037 -5.225 1.00 43.33 H new ATOM 872 N ASN A 55 -4.063 -13.687 -3.503 1.00 70.43 N ATOM 873 CA ASN A 55 -5.333 -13.881 -4.216 1.00 13.35 C ATOM 874 C ASN A 55 -6.468 -13.038 -3.595 1.00 35.21 C ATOM 875 O ASN A 55 -7.392 -12.616 -4.286 1.00 33.34 O ATOM 876 CB ASN A 55 -5.683 -15.378 -4.215 1.00 50.12 C ATOM 877 CG ASN A 55 -6.907 -15.706 -5.047 1.00 23.25 C ATOM 878 OD1 ASN A 55 -8.017 -15.793 -4.529 1.00 33.23 O ATOM 879 ND2 ASN A 55 -6.717 -15.876 -6.343 1.00 12.23 N ATOM 0 H ASN A 55 -3.801 -14.473 -2.908 1.00 70.43 H new ATOM 0 HA ASN A 55 -5.219 -13.538 -5.244 1.00 13.35 H new ATOM 0 HB2 ASN A 55 -4.832 -15.944 -4.594 1.00 50.12 H new ATOM 0 HB3 ASN A 55 -5.851 -15.704 -3.189 1.00 50.12 H new ATOM 0 HD21 ASN A 55 -7.508 -16.088 -6.951 1.00 12.23 H new ATOM 0 HD22 ASN A 55 -5.779 -15.796 -6.736 1.00 12.23 H new ATOM 886 N GLU A 56 -6.373 -12.794 -2.289 1.00 72.43 N ATOM 887 CA GLU A 56 -7.352 -11.987 -1.560 1.00 34.12 C ATOM 888 C GLU A 56 -7.225 -10.505 -1.914 1.00 71.43 C ATOM 889 O GLU A 56 -8.229 -9.798 -2.020 1.00 11.35 O ATOM 890 CB GLU A 56 -7.143 -12.211 -0.069 1.00 62.12 C ATOM 891 CG GLU A 56 -8.036 -11.430 0.865 1.00 33.32 C ATOM 892 CD GLU A 56 -7.849 -11.885 2.291 1.00 61.23 C ATOM 893 OE1 GLU A 56 -6.700 -12.172 2.678 1.00 1.35 O ATOM 894 OE2 GLU A 56 -8.853 -12.004 3.016 1.00 64.03 O ATOM 0 H GLU A 56 -5.616 -13.150 -1.706 1.00 72.43 H new ATOM 0 HA GLU A 56 -8.359 -12.293 -1.843 1.00 34.12 H new ATOM 0 HB2 GLU A 56 -7.279 -13.272 0.138 1.00 62.12 H new ATOM 0 HB3 GLU A 56 -6.107 -11.970 0.170 1.00 62.12 H new ATOM 0 HG2 GLU A 56 -7.811 -10.366 0.786 1.00 33.32 H new ATOM 0 HG3 GLU A 56 -9.078 -11.558 0.571 1.00 33.32 H new ATOM 901 N TYR A 57 -5.987 -10.051 -2.127 1.00 61.23 N ATOM 902 CA TYR A 57 -5.741 -8.682 -2.549 1.00 21.32 C ATOM 903 C TYR A 57 -6.114 -8.493 -4.026 1.00 2.02 C ATOM 904 O TYR A 57 -6.391 -7.385 -4.443 1.00 30.40 O ATOM 905 CB TYR A 57 -4.290 -8.256 -2.284 1.00 2.35 C ATOM 906 CG TYR A 57 -4.073 -6.768 -2.483 1.00 32.33 C ATOM 907 CD1 TYR A 57 -4.611 -5.847 -1.594 1.00 31.01 C ATOM 908 CD2 TYR A 57 -3.360 -6.287 -3.571 1.00 41.54 C ATOM 909 CE1 TYR A 57 -4.442 -4.494 -1.789 1.00 12.33 C ATOM 910 CE2 TYR A 57 -3.179 -4.936 -3.764 1.00 53.31 C ATOM 911 CZ TYR A 57 -3.724 -4.049 -2.873 1.00 70.31 C ATOM 912 OH TYR A 57 -3.570 -2.710 -3.082 1.00 52.21 O ATOM 0 H TYR A 57 -5.145 -10.615 -2.013 1.00 61.23 H new ATOM 0 HA TYR A 57 -6.380 -8.033 -1.950 1.00 21.32 H new ATOM 0 HB2 TYR A 57 -4.017 -8.526 -1.264 1.00 2.35 H new ATOM 0 HB3 TYR A 57 -3.626 -8.808 -2.949 1.00 2.35 H new ATOM 0 HD1 TYR A 57 -5.169 -6.196 -0.738 1.00 31.01 H new ATOM 0 HD2 TYR A 57 -2.939 -6.985 -4.280 1.00 41.54 H new ATOM 0 HE1 TYR A 57 -4.871 -3.787 -1.094 1.00 12.33 H new ATOM 0 HE2 TYR A 57 -2.612 -4.578 -4.611 1.00 53.31 H new ATOM 0 HH TYR A 57 -4.166 -2.421 -3.804 1.00 52.21 H new ATOM 922 N ALA A 58 -6.129 -9.580 -4.809 1.00 43.03 N ATOM 923 CA ALA A 58 -6.586 -9.536 -6.206 1.00 70.44 C ATOM 924 C ALA A 58 -8.087 -9.207 -6.311 1.00 72.25 C ATOM 925 O ALA A 58 -8.536 -8.663 -7.322 1.00 0.11 O ATOM 926 CB ALA A 58 -6.280 -10.853 -6.891 1.00 13.01 C ATOM 0 H ALA A 58 -5.829 -10.504 -4.498 1.00 43.03 H new ATOM 0 HA ALA A 58 -6.046 -8.734 -6.709 1.00 70.44 H new ATOM 0 HB1 ALA A 58 -6.621 -10.813 -7.925 1.00 13.01 H new ATOM 0 HB2 ALA A 58 -5.205 -11.033 -6.870 1.00 13.01 H new ATOM 0 HB3 ALA A 58 -6.793 -11.662 -6.371 1.00 13.01 H new ATOM 932 N GLU A 59 -8.841 -9.510 -5.245 1.00 14.11 N ATOM 933 CA GLU A 59 -10.265 -9.166 -5.151 1.00 62.21 C ATOM 934 C GLU A 59 -10.467 -7.675 -4.844 1.00 45.11 C ATOM 935 O GLU A 59 -11.499 -7.095 -5.179 1.00 72.45 O ATOM 936 CB GLU A 59 -10.940 -9.990 -4.047 1.00 73.02 C ATOM 937 CG GLU A 59 -10.891 -11.491 -4.259 1.00 31.25 C ATOM 938 CD GLU A 59 -11.587 -11.912 -5.527 1.00 75.32 C ATOM 939 OE1 GLU A 59 -12.829 -11.879 -5.566 1.00 3.10 O ATOM 940 OE2 GLU A 59 -10.897 -12.290 -6.486 1.00 72.11 O ATOM 0 H GLU A 59 -8.481 -9.999 -4.426 1.00 14.11 H new ATOM 0 HA GLU A 59 -10.715 -9.391 -6.118 1.00 62.21 H new ATOM 0 HB2 GLU A 59 -10.465 -9.755 -3.095 1.00 73.02 H new ATOM 0 HB3 GLU A 59 -11.982 -9.681 -3.968 1.00 73.02 H new ATOM 0 HG2 GLU A 59 -9.852 -11.817 -4.292 1.00 31.25 H new ATOM 0 HG3 GLU A 59 -11.355 -11.991 -3.409 1.00 31.25 H new ATOM 947 N LEU A 60 -9.471 -7.065 -4.205 1.00 44.30 N ATOM 948 CA LEU A 60 -9.560 -5.679 -3.752 1.00 52.12 C ATOM 949 C LEU A 60 -8.988 -4.740 -4.802 1.00 50.13 C ATOM 950 O LEU A 60 -9.668 -3.805 -5.232 1.00 74.43 O ATOM 951 CB LEU A 60 -8.805 -5.513 -2.424 1.00 35.20 C ATOM 952 CG LEU A 60 -9.122 -6.563 -1.347 1.00 12.40 C ATOM 953 CD1 LEU A 60 -8.236 -6.364 -0.130 1.00 11.43 C ATOM 954 CD2 LEU A 60 -10.590 -6.507 -0.944 1.00 33.41 C ATOM 0 H LEU A 60 -8.582 -7.516 -3.987 1.00 44.30 H new ATOM 0 HA LEU A 60 -10.609 -5.427 -3.598 1.00 52.12 H new ATOM 0 HB2 LEU A 60 -7.735 -5.540 -2.629 1.00 35.20 H new ATOM 0 HB3 LEU A 60 -9.028 -4.525 -2.020 1.00 35.20 H new ATOM 0 HG LEU A 60 -8.921 -7.547 -1.770 1.00 12.40 H new ATOM 0 HD11 LEU A 60 -8.475 -7.117 0.621 1.00 11.43 H new ATOM 0 HD12 LEU A 60 -7.190 -6.462 -0.421 1.00 11.43 H new ATOM 0 HD13 LEU A 60 -8.406 -5.370 0.285 1.00 11.43 H new ATOM 0 HD21 LEU A 60 -10.787 -7.260 -0.181 1.00 33.41 H new ATOM 0 HD22 LEU A 60 -10.821 -5.519 -0.546 1.00 33.41 H new ATOM 0 HD23 LEU A 60 -11.214 -6.702 -1.816 1.00 33.41 H new ATOM 966 N ALA A 61 -7.734 -5.045 -5.201 1.00 33.24 N ATOM 967 CA ALA A 61 -6.940 -4.330 -6.210 1.00 53.54 C ATOM 968 C ALA A 61 -6.620 -2.893 -5.796 1.00 70.13 C ATOM 969 O ALA A 61 -5.559 -2.632 -5.240 1.00 45.34 O ATOM 970 CB ALA A 61 -7.585 -4.398 -7.595 1.00 65.21 C ATOM 0 H ALA A 61 -7.228 -5.837 -4.805 1.00 33.24 H new ATOM 0 HA ALA A 61 -5.984 -4.849 -6.276 1.00 53.54 H new ATOM 0 HB1 ALA A 61 -6.967 -3.857 -8.311 1.00 65.21 H new ATOM 0 HB2 ALA A 61 -7.673 -5.439 -7.905 1.00 65.21 H new ATOM 0 HB3 ALA A 61 -8.576 -3.946 -7.557 1.00 65.21 H new ATOM 976 N ILE A 62 -7.541 -1.974 -6.066 1.00 60.20 N ATOM 977 CA ILE A 62 -7.358 -0.563 -5.760 1.00 31.31 C ATOM 978 C ILE A 62 -8.464 -0.118 -4.799 1.00 62.40 C ATOM 979 O ILE A 62 -8.196 0.574 -3.809 1.00 13.24 O ATOM 980 CB ILE A 62 -7.384 0.291 -7.067 1.00 63.23 C ATOM 981 CG1 ILE A 62 -6.271 -0.144 -8.050 1.00 73.21 C ATOM 982 CG2 ILE A 62 -7.269 1.774 -6.771 1.00 74.41 C ATOM 983 CD1 ILE A 62 -4.857 -0.066 -7.493 1.00 71.11 C ATOM 0 H ILE A 62 -8.437 -2.189 -6.504 1.00 60.20 H new ATOM 0 HA ILE A 62 -6.387 -0.415 -5.288 1.00 31.31 H new ATOM 0 HB ILE A 62 -8.350 0.113 -7.539 1.00 63.23 H new ATOM 0 HG12 ILE A 62 -6.465 -1.169 -8.365 1.00 73.21 H new ATOM 0 HG13 ILE A 62 -6.330 0.480 -8.942 1.00 73.21 H new ATOM 0 HG21 ILE A 62 -7.291 2.334 -7.706 1.00 74.41 H new ATOM 0 HG22 ILE A 62 -8.103 2.085 -6.142 1.00 74.41 H new ATOM 0 HG23 ILE A 62 -6.330 1.970 -6.252 1.00 74.41 H new ATOM 0 HD11 ILE A 62 -4.148 -0.390 -8.254 1.00 71.11 H new ATOM 0 HD12 ILE A 62 -4.636 0.962 -7.205 1.00 71.11 H new ATOM 0 HD13 ILE A 62 -4.774 -0.713 -6.620 1.00 71.11 H new ATOM 995 N PHE A 63 -9.694 -0.553 -5.133 1.00 45.44 N ATOM 996 CA PHE A 63 -10.920 -0.383 -4.337 1.00 30.11 C ATOM 997 C PHE A 63 -11.430 1.067 -4.337 1.00 31.33 C ATOM 998 O PHE A 63 -12.342 1.388 -5.101 1.00 31.55 O ATOM 999 CB PHE A 63 -10.767 -0.923 -2.903 1.00 43.22 C ATOM 1000 CG PHE A 63 -11.975 -1.678 -2.418 1.00 74.51 C ATOM 1001 CD1 PHE A 63 -12.081 -3.040 -2.641 1.00 15.24 C ATOM 1002 CD2 PHE A 63 -13.000 -1.032 -1.742 1.00 2.54 C ATOM 1003 CE1 PHE A 63 -13.183 -3.744 -2.204 1.00 12.13 C ATOM 1004 CE2 PHE A 63 -14.106 -1.734 -1.303 1.00 4.24 C ATOM 1005 CZ PHE A 63 -14.196 -3.092 -1.533 1.00 22.11 C ATOM 0 H PHE A 63 -9.866 -1.055 -6.004 1.00 45.44 H new ATOM 0 HA PHE A 63 -11.681 -0.987 -4.831 1.00 30.11 H new ATOM 0 HB2 PHE A 63 -9.897 -1.578 -2.860 1.00 43.22 H new ATOM 0 HB3 PHE A 63 -10.573 -0.090 -2.227 1.00 43.22 H new ATOM 0 HD1 PHE A 63 -11.291 -3.558 -3.164 1.00 15.24 H new ATOM 0 HD2 PHE A 63 -12.933 0.030 -1.557 1.00 2.54 H new ATOM 0 HE1 PHE A 63 -13.253 -4.806 -2.387 1.00 12.13 H new ATOM 0 HE2 PHE A 63 -14.899 -1.221 -0.780 1.00 4.24 H new ATOM 0 HZ PHE A 63 -15.058 -3.643 -1.188 1.00 22.11 H new ATOM 1015 N ALA A 64 -10.839 1.945 -3.519 1.00 34.03 N ATOM 1016 CA ALA A 64 -11.369 3.293 -3.342 1.00 70.14 C ATOM 1017 C ALA A 64 -10.276 4.359 -3.434 1.00 72.24 C ATOM 1018 O ALA A 64 -9.913 4.983 -2.444 1.00 20.34 O ATOM 1019 CB ALA A 64 -12.112 3.378 -2.014 1.00 45.54 C ATOM 0 H ALA A 64 -10.000 1.745 -2.975 1.00 34.03 H new ATOM 0 HA ALA A 64 -12.065 3.495 -4.156 1.00 70.14 H new ATOM 0 HB1 ALA A 64 -12.508 4.385 -1.882 1.00 45.54 H new ATOM 0 HB2 ALA A 64 -12.934 2.662 -2.010 1.00 45.54 H new ATOM 0 HB3 ALA A 64 -11.427 3.148 -1.198 1.00 45.54 H new ATOM 1025 N ALA A 65 -9.733 4.550 -4.626 1.00 62.40 N ATOM 1026 CA ALA A 65 -8.735 5.598 -4.857 1.00 13.42 C ATOM 1027 C ALA A 65 -9.221 6.604 -5.891 1.00 4.12 C ATOM 1028 O ALA A 65 -8.585 7.634 -6.132 1.00 22.33 O ATOM 1029 CB ALA A 65 -7.420 4.998 -5.290 1.00 22.02 C ATOM 0 H ALA A 65 -9.962 3.997 -5.452 1.00 62.40 H new ATOM 0 HA ALA A 65 -8.585 6.125 -3.915 1.00 13.42 H new ATOM 0 HB1 ALA A 65 -6.694 5.794 -5.456 1.00 22.02 H new ATOM 0 HB2 ALA A 65 -7.052 4.328 -4.513 1.00 22.02 H new ATOM 0 HB3 ALA A 65 -7.562 4.438 -6.214 1.00 22.02 H new