USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 388 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 16 GLN : amide:sc= 0.884 K(o=1.8,f=-4.2!) USER MOD Set 1.2: A 21 TYR OH : rot 42:sc= 0.956 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.33! C(o=-3.9!,f=-1.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.16! C(o=-2.1!,f=-1.2!) USER MOD Single : A 17 SER OG : rot -170:sc= -0.41 USER MOD Single : A 19 CYS SG : rot 35:sc= 0.0721 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -50:sc= -2.72! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 84:sc= 0.11 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.57 F(o=-1.2!,f=-0.57) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 45.697 -26.206 -13.997 1.00 1.00 N ATOM 58 CA GLY A 5 46.170 -26.858 -15.214 1.00 1.00 C ATOM 59 C GLY A 5 46.280 -25.858 -16.359 1.00 1.00 C ATOM 60 O GLY A 5 45.738 -24.755 -16.288 1.00 1.00 O ATOM 0 HA2 GLY A 5 47.142 -27.316 -15.032 1.00 1.00 H new ATOM 0 HA3 GLY A 5 45.486 -27.660 -15.491 1.00 1.00 H new ATOM 64 N ASP A 6 46.985 -26.250 -17.415 1.00 1.00 N ATOM 65 CA ASP A 6 47.161 -25.380 -18.571 1.00 1.00 C ATOM 66 C ASP A 6 45.807 -24.975 -19.148 1.00 1.00 C ATOM 67 O ASP A 6 45.732 -24.156 -20.063 1.00 1.00 O ATOM 68 CB ASP A 6 47.981 -26.096 -19.645 1.00 1.00 C ATOM 69 CG ASP A 6 49.460 -25.760 -19.482 1.00 1.00 C ATOM 70 OD1 ASP A 6 50.114 -26.424 -18.695 1.00 1.00 O ATOM 71 OD2 ASP A 6 49.916 -24.845 -20.146 1.00 1.00 O ATOM 0 H ASP A 6 47.441 -27.159 -17.494 1.00 1.00 H new ATOM 0 HA ASP A 6 47.690 -24.483 -18.249 1.00 1.00 H new ATOM 0 HB2 ASP A 6 47.834 -27.173 -19.569 1.00 1.00 H new ATOM 0 HB3 ASP A 6 47.639 -25.797 -20.636 1.00 1.00 H new ATOM 76 N PHE A 7 44.741 -25.555 -18.604 1.00 1.00 N ATOM 77 CA PHE A 7 43.395 -25.246 -19.072 1.00 1.00 C ATOM 78 C PHE A 7 43.139 -23.743 -19.016 1.00 1.00 C ATOM 79 O PHE A 7 43.167 -23.060 -20.039 1.00 1.00 O ATOM 80 CB PHE A 7 42.363 -25.975 -18.211 1.00 1.00 C ATOM 81 CG PHE A 7 41.778 -27.127 -18.991 1.00 1.00 C ATOM 82 CD1 PHE A 7 42.518 -28.303 -19.164 1.00 1.00 C ATOM 83 CD2 PHE A 7 40.495 -27.020 -19.542 1.00 1.00 C ATOM 84 CE1 PHE A 7 41.975 -29.371 -19.888 1.00 1.00 C ATOM 85 CE2 PHE A 7 39.953 -28.089 -20.266 1.00 1.00 C ATOM 86 CZ PHE A 7 40.694 -29.264 -20.439 1.00 1.00 C ATOM 0 H PHE A 7 44.782 -26.236 -17.845 1.00 1.00 H new ATOM 0 HA PHE A 7 43.305 -25.579 -20.106 1.00 1.00 H new ATOM 0 HB2 PHE A 7 42.830 -26.341 -17.297 1.00 1.00 H new ATOM 0 HB3 PHE A 7 41.573 -25.287 -17.911 1.00 1.00 H new ATOM 0 HD1 PHE A 7 43.507 -28.386 -18.739 1.00 1.00 H new ATOM 0 HD2 PHE A 7 39.924 -26.113 -19.409 1.00 1.00 H new ATOM 0 HE1 PHE A 7 42.546 -30.278 -20.021 1.00 1.00 H new ATOM 0 HE2 PHE A 7 38.963 -28.007 -20.691 1.00 1.00 H new ATOM 0 HZ PHE A 7 40.276 -30.088 -20.998 1.00 1.00 H new ATOM 96 N ASP A 8 42.889 -23.237 -17.813 1.00 1.00 N ATOM 97 CA ASP A 8 42.629 -21.812 -17.635 1.00 1.00 C ATOM 98 C ASP A 8 43.672 -20.981 -18.373 1.00 1.00 C ATOM 99 O ASP A 8 44.873 -21.229 -18.260 1.00 1.00 O ATOM 100 CB ASP A 8 42.651 -21.459 -16.147 1.00 1.00 C ATOM 101 CG ASP A 8 41.332 -20.809 -15.745 1.00 1.00 C ATOM 102 OD1 ASP A 8 40.873 -19.946 -16.476 1.00 1.00 O ATOM 103 OD2 ASP A 8 40.801 -21.181 -14.712 1.00 1.00 O ATOM 0 H ASP A 8 42.861 -23.786 -16.954 1.00 1.00 H new ATOM 0 HA ASP A 8 41.645 -21.587 -18.047 1.00 1.00 H new ATOM 0 HB2 ASP A 8 42.818 -22.358 -15.554 1.00 1.00 H new ATOM 0 HB3 ASP A 8 43.478 -20.781 -15.938 1.00 1.00 H new ATOM 108 N ASN A 9 43.207 -19.991 -19.129 1.00 1.00 N ATOM 109 CA ASN A 9 44.110 -19.128 -19.883 1.00 1.00 C ATOM 110 C ASN A 9 44.330 -17.811 -19.145 1.00 1.00 C ATOM 111 O ASN A 9 45.427 -17.253 -19.167 1.00 1.00 O ATOM 112 CB ASN A 9 43.530 -18.849 -21.270 1.00 1.00 C ATOM 113 CG ASN A 9 44.395 -17.829 -22.001 1.00 1.00 C ATOM 114 OD1 ASN A 9 44.483 -16.611 -21.539 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 45.007 -18.149 -23.020 1.00 1.00 N flip ATOM 0 H ASN A 9 42.218 -19.767 -19.236 1.00 1.00 H new ATOM 0 HA ASN A 9 45.068 -19.637 -19.988 1.00 1.00 H new ATOM 0 HB2 ASN A 9 43.479 -19.774 -21.845 1.00 1.00 H new ATOM 0 HB3 ASN A 9 42.510 -18.474 -21.178 1.00 1.00 H new ATOM 0 HD21 ASN A 9 44.937 -19.101 -23.379 1.00 1.00 H new ATOM 0 HD22 ASN A 9 45.584 -17.462 -23.505 1.00 1.00 H new ATOM 122 N TYR A 10 43.280 -17.320 -18.496 1.00 1.00 N ATOM 123 CA TYR A 10 43.371 -16.066 -17.755 1.00 1.00 C ATOM 124 C TYR A 10 43.788 -16.325 -16.312 1.00 1.00 C ATOM 125 O TYR A 10 44.953 -16.153 -15.952 1.00 1.00 O ATOM 126 CB TYR A 10 42.020 -15.349 -17.777 1.00 1.00 C ATOM 127 CG TYR A 10 41.706 -14.907 -19.187 1.00 1.00 C ATOM 128 CD1 TYR A 10 42.369 -13.805 -19.739 1.00 1.00 C ATOM 129 CD2 TYR A 10 40.752 -15.599 -19.941 1.00 1.00 C ATOM 130 CE1 TYR A 10 42.079 -13.396 -21.046 1.00 1.00 C ATOM 131 CE2 TYR A 10 40.461 -15.191 -21.248 1.00 1.00 C ATOM 132 CZ TYR A 10 41.124 -14.088 -21.801 1.00 1.00 C ATOM 133 OH TYR A 10 40.838 -13.686 -23.089 1.00 1.00 O ATOM 0 H TYR A 10 42.363 -17.766 -18.467 1.00 1.00 H new ATOM 0 HA TYR A 10 44.124 -15.438 -18.231 1.00 1.00 H new ATOM 0 HB2 TYR A 10 41.238 -16.014 -17.410 1.00 1.00 H new ATOM 0 HB3 TYR A 10 42.043 -14.486 -17.111 1.00 1.00 H new ATOM 0 HD1 TYR A 10 43.104 -13.270 -19.157 1.00 1.00 H new ATOM 0 HD2 TYR A 10 40.240 -16.449 -19.514 1.00 1.00 H new ATOM 0 HE1 TYR A 10 42.592 -12.547 -21.472 1.00 1.00 H new ATOM 0 HE2 TYR A 10 39.725 -15.727 -21.830 1.00 1.00 H new ATOM 0 HH TYR A 10 40.154 -14.275 -23.471 1.00 1.00 H new ATOM 143 N TYR A 11 42.830 -16.740 -15.490 1.00 1.00 N ATOM 144 CA TYR A 11 43.110 -17.020 -14.086 1.00 1.00 C ATOM 145 C TYR A 11 43.450 -15.734 -13.341 1.00 1.00 C ATOM 146 O TYR A 11 43.989 -14.792 -13.922 1.00 1.00 O ATOM 147 CB TYR A 11 44.278 -18.001 -13.973 1.00 1.00 C ATOM 148 CG TYR A 11 44.150 -18.792 -12.691 1.00 1.00 C ATOM 149 CD1 TYR A 11 43.382 -19.961 -12.665 1.00 1.00 C ATOM 150 CD2 TYR A 11 44.799 -18.353 -11.531 1.00 1.00 C ATOM 151 CE1 TYR A 11 43.263 -20.693 -11.477 1.00 1.00 C ATOM 152 CE2 TYR A 11 44.680 -19.085 -10.344 1.00 1.00 C ATOM 153 CZ TYR A 11 43.912 -20.255 -10.317 1.00 1.00 C ATOM 154 OH TYR A 11 43.795 -20.976 -9.146 1.00 1.00 O ATOM 0 H TYR A 11 41.860 -16.889 -15.768 1.00 1.00 H new ATOM 0 HA TYR A 11 42.220 -17.461 -13.638 1.00 1.00 H new ATOM 0 HB2 TYR A 11 44.285 -18.675 -14.830 1.00 1.00 H new ATOM 0 HB3 TYR A 11 45.224 -17.460 -13.986 1.00 1.00 H new ATOM 0 HD1 TYR A 11 42.881 -20.299 -13.560 1.00 1.00 H new ATOM 0 HD2 TYR A 11 45.391 -17.450 -11.552 1.00 1.00 H new ATOM 0 HE1 TYR A 11 42.670 -21.596 -11.456 1.00 1.00 H new ATOM 0 HE2 TYR A 11 45.181 -18.747 -9.449 1.00 1.00 H new ATOM 0 HH TYR A 11 44.308 -20.535 -8.437 1.00 1.00 H new ATOM 164 N GLY A 12 43.132 -15.701 -12.050 1.00 1.00 N ATOM 165 CA GLY A 12 43.408 -14.524 -11.235 1.00 1.00 C ATOM 166 C GLY A 12 43.089 -13.244 -12.000 1.00 1.00 C ATOM 167 O GLY A 12 43.746 -12.220 -11.816 1.00 1.00 O ATOM 0 H GLY A 12 42.686 -16.470 -11.549 1.00 1.00 H new ATOM 0 HA2 GLY A 12 42.816 -14.563 -10.321 1.00 1.00 H new ATOM 0 HA3 GLY A 12 44.456 -14.522 -10.936 1.00 1.00 H new ATOM 171 N ALA A 13 42.077 -13.311 -12.857 1.00 1.00 N ATOM 172 CA ALA A 13 41.679 -12.149 -13.646 1.00 1.00 C ATOM 173 C ALA A 13 41.056 -11.083 -12.751 1.00 1.00 C ATOM 174 O ALA A 13 41.220 -9.887 -12.989 1.00 1.00 O ATOM 175 CB ALA A 13 40.674 -12.567 -14.720 1.00 1.00 C ATOM 0 H ALA A 13 41.521 -14.149 -13.023 1.00 1.00 H new ATOM 0 HA ALA A 13 42.567 -11.734 -14.122 1.00 1.00 H new ATOM 0 HB1 ALA A 13 40.382 -11.694 -15.304 1.00 1.00 H new ATOM 0 HB2 ALA A 13 41.130 -13.307 -15.377 1.00 1.00 H new ATOM 0 HB3 ALA A 13 39.792 -12.997 -14.245 1.00 1.00 H new ATOM 181 N ASP A 14 40.339 -11.525 -11.722 1.00 1.00 N ATOM 182 CA ASP A 14 39.695 -10.598 -10.798 1.00 1.00 C ATOM 183 C ASP A 14 40.724 -9.657 -10.179 1.00 1.00 C ATOM 184 O ASP A 14 40.368 -8.682 -9.517 1.00 1.00 O ATOM 185 CB ASP A 14 38.981 -11.376 -9.692 1.00 1.00 C ATOM 186 CG ASP A 14 38.318 -10.408 -8.718 1.00 1.00 C ATOM 187 OD1 ASP A 14 37.198 -10.003 -8.986 1.00 1.00 O ATOM 188 OD2 ASP A 14 38.938 -10.085 -7.719 1.00 1.00 O ATOM 0 H ASP A 14 40.190 -12.511 -11.508 1.00 1.00 H new ATOM 0 HA ASP A 14 38.967 -10.007 -11.354 1.00 1.00 H new ATOM 0 HB2 ASP A 14 38.232 -12.037 -10.127 1.00 1.00 H new ATOM 0 HB3 ASP A 14 39.694 -12.007 -9.162 1.00 1.00 H new ATOM 193 N ASN A 15 42.000 -9.957 -10.397 1.00 1.00 N ATOM 194 CA ASN A 15 43.072 -9.130 -9.856 1.00 1.00 C ATOM 195 C ASN A 15 42.985 -7.712 -10.407 1.00 1.00 C ATOM 196 O ASN A 15 43.308 -6.746 -9.716 1.00 1.00 O ATOM 197 CB ASN A 15 44.430 -9.737 -10.213 1.00 1.00 C ATOM 198 CG ASN A 15 44.702 -10.958 -9.340 1.00 1.00 C ATOM 199 OD1 ASN A 15 44.552 -10.870 -8.047 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 45.059 -12.020 -9.850 1.00 1.00 N flip ATOM 0 H ASN A 15 42.315 -10.761 -10.940 1.00 1.00 H new ATOM 0 HA ASN A 15 42.965 -9.092 -8.772 1.00 1.00 H new ATOM 0 HB2 ASN A 15 44.445 -10.021 -11.265 1.00 1.00 H new ATOM 0 HB3 ASN A 15 45.217 -8.996 -10.072 1.00 1.00 H new ATOM 0 HD21 ASN A 15 45.176 -12.086 -10.861 1.00 1.00 H new ATOM 0 HD22 ASN A 15 45.238 -12.834 -9.261 1.00 1.00 H new ATOM 207 N GLN A 16 42.545 -7.594 -11.657 1.00 1.00 N ATOM 208 CA GLN A 16 42.419 -6.287 -12.292 1.00 1.00 C ATOM 209 C GLN A 16 40.961 -5.840 -12.310 1.00 1.00 C ATOM 210 O GLN A 16 40.483 -5.292 -13.304 1.00 1.00 O ATOM 211 CB GLN A 16 42.954 -6.349 -13.724 1.00 1.00 C ATOM 212 CG GLN A 16 44.408 -6.825 -13.706 1.00 1.00 C ATOM 213 CD GLN A 16 45.331 -5.697 -14.152 1.00 1.00 C ATOM 214 OE1 GLN A 16 45.686 -4.831 -13.352 1.00 1.00 O ATOM 215 NE2 GLN A 16 45.744 -5.655 -15.389 1.00 1.00 N ATOM 0 H GLN A 16 42.272 -8.381 -12.246 1.00 1.00 H new ATOM 0 HA GLN A 16 43.001 -5.566 -11.718 1.00 1.00 H new ATOM 0 HB2 GLN A 16 42.346 -7.028 -14.322 1.00 1.00 H new ATOM 0 HB3 GLN A 16 42.888 -5.366 -14.191 1.00 1.00 H new ATOM 0 HG2 GLN A 16 44.680 -7.153 -12.703 1.00 1.00 H new ATOM 0 HG3 GLN A 16 44.526 -7.685 -14.365 1.00 1.00 H new ATOM 0 HE21 GLN A 16 45.449 -6.374 -16.050 1.00 1.00 H new ATOM 0 HE22 GLN A 16 46.362 -4.904 -15.695 1.00 1.00 H new ATOM 224 N SER A 17 40.261 -6.075 -11.206 1.00 1.00 N ATOM 225 CA SER A 17 38.857 -5.693 -11.106 1.00 1.00 C ATOM 226 C SER A 17 38.709 -4.411 -10.293 1.00 1.00 C ATOM 227 O SER A 17 39.697 -3.747 -9.977 1.00 1.00 O ATOM 228 CB SER A 17 38.056 -6.814 -10.444 1.00 1.00 C ATOM 229 OG SER A 17 37.924 -7.896 -11.356 1.00 1.00 O ATOM 0 H SER A 17 40.639 -6.525 -10.373 1.00 1.00 H new ATOM 0 HA SER A 17 38.474 -5.520 -12.112 1.00 1.00 H new ATOM 0 HB2 SER A 17 38.557 -7.148 -9.535 1.00 1.00 H new ATOM 0 HB3 SER A 17 37.072 -6.449 -10.149 1.00 1.00 H new ATOM 0 HG SER A 17 37.284 -8.547 -11.001 1.00 1.00 H new ATOM 235 N GLU A 18 37.469 -4.068 -9.959 1.00 1.00 N ATOM 236 CA GLU A 18 37.203 -2.862 -9.182 1.00 1.00 C ATOM 237 C GLU A 18 37.955 -2.903 -7.856 1.00 1.00 C ATOM 238 O GLU A 18 37.385 -3.240 -6.818 1.00 1.00 O ATOM 239 CB GLU A 18 35.702 -2.732 -8.916 1.00 1.00 C ATOM 240 CG GLU A 18 35.000 -2.237 -10.182 1.00 1.00 C ATOM 241 CD GLU A 18 33.602 -2.838 -10.273 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.496 -4.052 -10.209 1.00 1.00 O ATOM 243 OE2 GLU A 18 32.658 -2.077 -10.405 1.00 1.00 O ATOM 0 H GLU A 18 36.638 -4.603 -10.212 1.00 1.00 H new ATOM 0 HA GLU A 18 37.546 -2.000 -9.755 1.00 1.00 H new ATOM 0 HB2 GLU A 18 35.291 -3.695 -8.612 1.00 1.00 H new ATOM 0 HB3 GLU A 18 35.526 -2.037 -8.095 1.00 1.00 H new ATOM 0 HG2 GLU A 18 34.937 -1.149 -10.171 1.00 1.00 H new ATOM 0 HG3 GLU A 18 35.581 -2.513 -11.062 1.00 1.00 H new ATOM 250 N CYS A 19 39.238 -2.557 -7.898 1.00 1.00 N ATOM 251 CA CYS A 19 40.059 -2.558 -6.692 1.00 1.00 C ATOM 252 C CYS A 19 41.125 -1.471 -6.770 1.00 1.00 C ATOM 253 O CYS A 19 41.450 -0.834 -5.768 1.00 1.00 O ATOM 254 CB CYS A 19 40.729 -3.923 -6.517 1.00 1.00 C ATOM 255 SG CYS A 19 39.777 -4.915 -5.341 1.00 1.00 S ATOM 0 H CYS A 19 39.728 -2.275 -8.747 1.00 1.00 H new ATOM 0 HA CYS A 19 39.415 -2.358 -5.836 1.00 1.00 H new ATOM 0 HB2 CYS A 19 40.790 -4.436 -7.477 1.00 1.00 H new ATOM 0 HB3 CYS A 19 41.750 -3.796 -6.159 1.00 1.00 H new ATOM 0 HG CYS A 19 38.511 -4.658 -5.482 1.00 1.00 H new ATOM 261 N GLU A 20 41.667 -1.265 -7.966 1.00 1.00 N ATOM 262 CA GLU A 20 42.697 -0.251 -8.162 1.00 1.00 C ATOM 263 C GLU A 20 42.456 0.512 -9.460 1.00 1.00 C ATOM 264 O GLU A 20 43.385 1.065 -10.049 1.00 1.00 O ATOM 265 CB GLU A 20 44.077 -0.911 -8.204 1.00 1.00 C ATOM 266 CG GLU A 20 44.055 -2.196 -7.375 1.00 1.00 C ATOM 267 CD GLU A 20 45.464 -2.764 -7.255 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.332 -2.048 -6.781 1.00 1.00 O ATOM 269 OE2 GLU A 20 45.657 -3.906 -7.639 1.00 1.00 O ATOM 0 H GLU A 20 41.413 -1.782 -8.808 1.00 1.00 H new ATOM 0 HA GLU A 20 42.655 0.450 -7.328 1.00 1.00 H new ATOM 0 HB2 GLU A 20 44.353 -1.135 -9.234 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.831 -0.227 -7.814 1.00 1.00 H new ATOM 0 HG2 GLU A 20 43.651 -1.992 -6.383 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.397 -2.929 -7.843 1.00 1.00 H new ATOM 276 N TYR A 21 41.202 0.537 -9.902 1.00 1.00 N ATOM 277 CA TYR A 21 40.851 1.236 -11.133 1.00 1.00 C ATOM 278 C TYR A 21 39.516 1.959 -10.976 1.00 1.00 C ATOM 279 O TYR A 21 38.787 2.155 -11.948 1.00 1.00 O ATOM 280 CB TYR A 21 40.761 0.241 -12.291 1.00 1.00 C ATOM 281 CG TYR A 21 42.074 -0.493 -12.427 1.00 1.00 C ATOM 282 CD1 TYR A 21 42.286 -1.685 -11.723 1.00 1.00 C ATOM 283 CD2 TYR A 21 43.079 0.018 -13.257 1.00 1.00 C ATOM 284 CE1 TYR A 21 43.502 -2.365 -11.849 1.00 1.00 C ATOM 285 CE2 TYR A 21 44.296 -0.662 -13.382 1.00 1.00 C ATOM 286 CZ TYR A 21 44.508 -1.854 -12.677 1.00 1.00 C ATOM 287 OH TYR A 21 45.708 -2.524 -12.801 1.00 1.00 O ATOM 0 H TYR A 21 40.418 0.085 -9.431 1.00 1.00 H new ATOM 0 HA TYR A 21 41.627 1.971 -11.346 1.00 1.00 H new ATOM 0 HB2 TYR A 21 39.952 -0.468 -12.113 1.00 1.00 H new ATOM 0 HB3 TYR A 21 40.527 0.765 -13.218 1.00 1.00 H new ATOM 0 HD1 TYR A 21 41.511 -2.079 -11.083 1.00 1.00 H new ATOM 0 HD2 TYR A 21 42.915 0.937 -13.801 1.00 1.00 H new ATOM 0 HE1 TYR A 21 43.665 -3.285 -11.307 1.00 1.00 H new ATOM 0 HE2 TYR A 21 45.072 -0.268 -14.022 1.00 1.00 H new ATOM 0 HH TYR A 21 45.539 -3.487 -12.870 1.00 1.00 H new ATOM 297 N THR A 22 39.204 2.352 -9.746 1.00 1.00 N ATOM 298 CA THR A 22 37.954 3.053 -9.473 1.00 1.00 C ATOM 299 C THR A 22 37.999 3.711 -8.098 1.00 1.00 C ATOM 300 O THR A 22 37.453 4.796 -7.900 1.00 1.00 O ATOM 301 CB THR A 22 36.781 2.074 -9.535 1.00 1.00 C ATOM 302 OG1 THR A 22 35.583 2.748 -9.175 1.00 1.00 O ATOM 303 CG2 THR A 22 37.028 0.916 -8.566 1.00 1.00 C ATOM 0 H THR A 22 39.794 2.199 -8.928 1.00 1.00 H new ATOM 0 HA THR A 22 37.820 3.826 -10.229 1.00 1.00 H new ATOM 0 HB THR A 22 36.688 1.683 -10.548 1.00 1.00 H new ATOM 0 HG1 THR A 22 34.830 2.122 -9.216 1.00 1.00 H new ATOM 0 HG21 THR A 22 36.191 0.219 -8.611 1.00 1.00 H new ATOM 0 HG22 THR A 22 37.946 0.399 -8.844 1.00 1.00 H new ATOM 0 HG23 THR A 22 37.123 1.304 -7.552 1.00 1.00 H new ATOM 311 N ASP A 23 38.652 3.046 -7.151 1.00 1.00 N ATOM 312 CA ASP A 23 38.762 3.577 -5.796 1.00 1.00 C ATOM 313 C ASP A 23 39.708 4.772 -5.764 1.00 1.00 C ATOM 314 O ASP A 23 39.270 5.920 -5.683 1.00 1.00 O ATOM 315 CB ASP A 23 39.278 2.489 -4.852 1.00 1.00 C ATOM 316 CG ASP A 23 39.792 3.121 -3.562 1.00 1.00 C ATOM 317 OD1 ASP A 23 39.113 3.988 -3.037 1.00 1.00 O ATOM 318 OD2 ASP A 23 40.857 2.726 -3.117 1.00 1.00 O ATOM 0 H ASP A 23 39.110 2.146 -7.294 1.00 1.00 H new ATOM 0 HA ASP A 23 37.774 3.903 -5.471 1.00 1.00 H new ATOM 0 HB2 ASP A 23 38.480 1.782 -4.628 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.077 1.926 -5.335 1.00 1.00 H new ATOM 323 N TRP A 24 41.006 4.496 -5.829 1.00 1.00 N ATOM 324 CA TRP A 24 42.005 5.559 -5.806 1.00 1.00 C ATOM 325 C TRP A 24 41.562 6.729 -6.679 1.00 1.00 C ATOM 326 O TRP A 24 41.590 7.880 -6.247 1.00 1.00 O ATOM 327 CB TRP A 24 43.346 5.023 -6.312 1.00 1.00 C ATOM 328 CG TRP A 24 43.267 4.793 -7.787 1.00 1.00 C ATOM 329 CD1 TRP A 24 42.463 3.887 -8.389 1.00 1.00 C ATOM 330 CD2 TRP A 24 44.001 5.463 -8.853 1.00 1.00 C ATOM 331 NE1 TRP A 24 42.657 3.957 -9.756 1.00 1.00 N ATOM 332 CE2 TRP A 24 43.594 4.915 -10.092 1.00 1.00 C ATOM 333 CE3 TRP A 24 44.968 6.483 -8.865 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.129 5.362 -11.301 1.00 1.00 C ATOM 335 CZ3 TRP A 24 45.509 6.936 -10.079 1.00 1.00 C ATOM 336 CH2 TRP A 24 45.091 6.376 -11.296 1.00 1.00 C ATOM 0 H TRP A 24 41.389 3.553 -5.898 1.00 1.00 H new ATOM 0 HA TRP A 24 42.115 5.908 -4.779 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.142 5.733 -6.086 1.00 1.00 H new ATOM 0 HB3 TRP A 24 43.594 4.093 -5.801 1.00 1.00 H new ATOM 0 HD1 TRP A 24 41.781 3.218 -7.884 1.00 1.00 H new ATOM 0 HE1 TRP A 24 42.168 3.373 -10.434 1.00 1.00 H new ATOM 0 HE3 TRP A 24 45.297 6.921 -7.934 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 43.802 4.927 -12.234 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.251 7.720 -10.076 1.00 1.00 H new ATOM 0 HH2 TRP A 24 45.512 6.728 -12.226 1.00 1.00 H new ATOM 347 N LYS A 25 41.150 6.420 -7.906 1.00 1.00 N ATOM 348 CA LYS A 25 40.700 7.442 -8.837 1.00 1.00 C ATOM 349 C LYS A 25 41.563 8.696 -8.731 1.00 1.00 C ATOM 350 O LYS A 25 42.577 8.821 -9.416 1.00 1.00 O ATOM 351 CB LYS A 25 39.236 7.785 -8.559 1.00 1.00 C ATOM 352 CG LYS A 25 38.773 8.850 -9.550 1.00 1.00 C ATOM 353 CD LYS A 25 37.358 8.523 -10.034 1.00 1.00 C ATOM 354 CE LYS A 25 37.416 7.409 -11.080 1.00 1.00 C ATOM 355 NZ LYS A 25 37.296 8.000 -12.443 1.00 1.00 N ATOM 0 H LYS A 25 41.120 5.470 -8.275 1.00 1.00 H new ATOM 0 HA LYS A 25 40.794 7.052 -9.851 1.00 1.00 H new ATOM 0 HB2 LYS A 25 38.617 6.892 -8.651 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.123 8.148 -7.537 1.00 1.00 H new ATOM 0 HG2 LYS A 25 38.788 9.832 -9.077 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.457 8.894 -10.398 1.00 1.00 H new ATOM 0 HD2 LYS A 25 36.738 8.213 -9.193 1.00 1.00 H new ATOM 0 HD3 LYS A 25 36.895 9.412 -10.461 1.00 1.00 H new ATOM 0 HE2 LYS A 25 38.354 6.861 -10.991 1.00 1.00 H new ATOM 0 HE3 LYS A 25 36.611 6.694 -10.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 37.335 7.243 -13.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 36.390 8.504 -12.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 38.079 8.666 -12.603 1.00 1.00 H new ATOM 369 N SER A 26 41.157 9.623 -7.868 1.00 1.00 N ATOM 370 CA SER A 26 41.906 10.861 -7.684 1.00 1.00 C ATOM 371 C SER A 26 42.819 10.758 -6.466 1.00 1.00 C ATOM 372 O SER A 26 44.042 10.687 -6.600 1.00 1.00 O ATOM 373 CB SER A 26 40.940 12.031 -7.505 1.00 1.00 C ATOM 374 OG SER A 26 40.708 12.645 -8.767 1.00 1.00 O ATOM 0 H SER A 26 40.321 9.542 -7.290 1.00 1.00 H new ATOM 0 HA SER A 26 42.520 11.030 -8.569 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.000 11.680 -7.080 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.355 12.757 -6.805 1.00 1.00 H new ATOM 0 HG SER A 26 41.566 12.830 -9.203 1.00 1.00 H new ATOM 380 N SER A 27 42.221 10.750 -5.280 1.00 1.00 N ATOM 381 CA SER A 27 42.993 10.654 -4.046 1.00 1.00 C ATOM 382 C SER A 27 43.722 11.964 -3.764 1.00 1.00 C ATOM 383 O SER A 27 44.178 12.203 -2.646 1.00 1.00 O ATOM 384 CB SER A 27 44.009 9.517 -4.156 1.00 1.00 C ATOM 385 OG SER A 27 44.237 8.963 -2.867 1.00 1.00 O ATOM 0 H SER A 27 41.211 10.808 -5.147 1.00 1.00 H new ATOM 0 HA SER A 27 42.306 10.451 -3.225 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.639 8.748 -4.834 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.944 9.889 -4.575 1.00 1.00 H new ATOM 0 HG SER A 27 44.887 8.233 -2.935 1.00 1.00 H new ATOM 391 N GLY A 28 43.828 12.808 -4.784 1.00 1.00 N ATOM 392 CA GLY A 28 44.504 14.091 -4.634 1.00 1.00 C ATOM 393 C GLY A 28 43.728 15.202 -5.333 1.00 1.00 C ATOM 394 O GLY A 28 44.179 16.346 -5.388 1.00 1.00 O ATOM 0 H GLY A 28 43.457 12.629 -5.717 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.612 14.328 -3.576 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.509 14.027 -5.050 1.00 1.00 H new ATOM 398 N ALA A 29 42.559 14.855 -5.865 1.00 1.00 N ATOM 399 CA ALA A 29 41.721 15.826 -6.562 1.00 1.00 C ATOM 400 C ALA A 29 40.315 15.850 -5.970 1.00 1.00 C ATOM 401 O ALA A 29 39.604 16.849 -6.082 1.00 1.00 O ATOM 402 CB ALA A 29 41.646 15.483 -8.051 1.00 1.00 C ATOM 0 H ALA A 29 42.172 13.912 -5.827 1.00 1.00 H new ATOM 0 HA ALA A 29 42.169 16.812 -6.440 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.018 16.214 -8.561 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.648 15.503 -8.480 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.218 14.488 -8.174 1.00 1.00 H new ATOM 408 N LEU A 30 39.925 14.746 -5.341 1.00 1.00 N ATOM 409 CA LEU A 30 38.603 14.645 -4.730 1.00 1.00 C ATOM 410 C LEU A 30 38.728 14.519 -3.215 1.00 1.00 C ATOM 411 O LEU A 30 37.819 14.888 -2.472 1.00 1.00 O ATOM 412 CB LEU A 30 37.869 13.419 -5.281 1.00 1.00 C ATOM 413 CG LEU A 30 37.088 13.788 -6.551 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.919 14.719 -6.208 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.025 14.491 -7.537 1.00 1.00 C ATOM 0 H LEU A 30 40.503 13.911 -5.241 1.00 1.00 H new ATOM 0 HA LEU A 30 38.040 15.547 -4.968 1.00 1.00 H new ATOM 0 HB2 LEU A 30 38.585 12.628 -5.504 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.186 13.027 -4.527 1.00 1.00 H new ATOM 0 HG LEU A 30 36.693 12.877 -7.000 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.376 14.971 -7.119 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.247 14.218 -5.511 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.302 15.631 -5.750 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.473 14.754 -8.439 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.423 15.396 -7.078 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.847 13.824 -7.796 1.00 1.00 H new ATOM 427 N ILE A 31 39.861 13.989 -2.766 1.00 1.00 N ATOM 428 CA ILE A 31 40.101 13.812 -1.338 1.00 1.00 C ATOM 429 C ILE A 31 40.433 15.143 -0.649 1.00 1.00 C ATOM 430 O ILE A 31 40.070 15.341 0.510 1.00 1.00 O ATOM 431 CB ILE A 31 41.235 12.800 -1.120 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.650 11.385 -1.109 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.931 13.067 0.218 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.842 11.155 -2.388 1.00 1.00 C ATOM 0 H ILE A 31 40.624 13.676 -3.366 1.00 1.00 H new ATOM 0 HA ILE A 31 39.185 13.430 -0.888 1.00 1.00 H new ATOM 0 HB ILE A 31 41.962 12.899 -1.926 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.451 10.650 -1.036 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.013 11.251 -0.235 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.733 12.343 0.362 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.347 14.074 0.217 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.209 12.974 1.029 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.426 10.148 -2.379 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.032 11.882 -2.442 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.492 11.272 -3.255 1.00 1.00 H new ATOM 446 N PRO A 32 41.107 16.054 -1.316 1.00 1.00 N ATOM 447 CA PRO A 32 41.469 17.372 -0.712 1.00 1.00 C ATOM 448 C PRO A 32 40.237 18.171 -0.289 1.00 1.00 C ATOM 449 O PRO A 32 40.353 19.308 0.168 1.00 1.00 O ATOM 450 CB PRO A 32 42.233 18.106 -1.822 1.00 1.00 C ATOM 451 CG PRO A 32 42.635 17.057 -2.804 1.00 1.00 C ATOM 452 CD PRO A 32 41.597 15.944 -2.699 1.00 1.00 C ATOM 0 HA PRO A 32 42.057 17.245 0.197 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.606 18.863 -2.293 1.00 1.00 H new ATOM 0 HB3 PRO A 32 43.106 18.621 -1.421 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.667 17.464 -3.815 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.633 16.679 -2.581 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.792 16.078 -3.421 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.038 14.966 -2.891 1.00 1.00 H new ATOM 460 N ALA A 33 39.062 17.569 -0.446 1.00 1.00 N ATOM 461 CA ALA A 33 37.817 18.236 -0.078 1.00 1.00 C ATOM 462 C ALA A 33 36.903 17.287 0.690 1.00 1.00 C ATOM 463 O ALA A 33 36.689 17.453 1.891 1.00 1.00 O ATOM 464 CB ALA A 33 37.099 18.731 -1.336 1.00 1.00 C ATOM 0 H ALA A 33 38.945 16.628 -0.822 1.00 1.00 H new ATOM 0 HA ALA A 33 38.059 19.084 0.562 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.171 19.228 -1.054 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.740 19.435 -1.868 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.874 17.884 -1.984 1.00 1.00 H new ATOM 470 N ILE A 34 36.365 16.294 -0.010 1.00 1.00 N ATOM 471 CA ILE A 34 35.473 15.323 0.617 1.00 1.00 C ATOM 472 C ILE A 34 35.995 14.925 1.995 1.00 1.00 C ATOM 473 O ILE A 34 35.238 14.453 2.843 1.00 1.00 O ATOM 474 CB ILE A 34 35.353 14.080 -0.264 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.431 14.383 -1.448 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.768 12.928 0.554 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.548 13.265 -2.485 1.00 1.00 C ATOM 0 H ILE A 34 36.529 16.140 -1.005 1.00 1.00 H new ATOM 0 HA ILE A 34 34.491 15.782 0.733 1.00 1.00 H new ATOM 0 HB ILE A 34 36.340 13.799 -0.632 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.400 14.470 -1.106 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.700 15.339 -1.897 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.683 12.042 -0.075 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.423 12.712 1.398 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.781 13.208 0.922 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.892 13.481 -3.328 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.578 13.200 -2.835 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.258 12.317 -2.032 1.00 1.00 H new ATOM 489 N TYR A 35 37.293 15.118 2.209 1.00 1.00 N ATOM 490 CA TYR A 35 37.905 14.775 3.488 1.00 1.00 C ATOM 491 C TYR A 35 37.719 15.906 4.493 1.00 1.00 C ATOM 492 O TYR A 35 37.481 15.666 5.676 1.00 1.00 O ATOM 493 CB TYR A 35 39.397 14.502 3.293 1.00 1.00 C ATOM 494 CG TYR A 35 40.009 14.072 4.604 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.764 12.786 5.102 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.822 14.957 5.321 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.333 12.386 6.317 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.391 14.557 6.536 1.00 1.00 C ATOM 499 CZ TYR A 35 41.146 13.272 7.034 1.00 1.00 C ATOM 500 OH TYR A 35 41.707 12.878 8.231 1.00 1.00 O ATOM 0 H TYR A 35 37.937 15.507 1.520 1.00 1.00 H new ATOM 0 HA TYR A 35 37.418 13.880 3.875 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.540 13.725 2.542 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.896 15.398 2.924 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.136 12.103 4.549 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.011 15.949 4.937 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.145 11.394 6.701 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.019 15.240 7.089 1.00 1.00 H new ATOM 0 HH TYR A 35 42.244 13.611 8.598 1.00 1.00 H new ATOM 510 N MET A 36 37.828 17.142 4.013 1.00 1.00 N ATOM 511 CA MET A 36 37.669 18.303 4.880 1.00 1.00 C ATOM 512 C MET A 36 36.257 18.356 5.452 1.00 1.00 C ATOM 513 O MET A 36 36.067 18.599 6.643 1.00 1.00 O ATOM 514 CB MET A 36 37.952 19.585 4.093 1.00 1.00 C ATOM 515 CG MET A 36 38.028 20.770 5.056 1.00 1.00 C ATOM 516 SD MET A 36 39.735 21.364 5.148 1.00 1.00 S ATOM 517 CE MET A 36 39.693 22.405 3.668 1.00 1.00 C ATOM 0 H MET A 36 38.024 17.363 3.037 1.00 1.00 H new ATOM 0 HA MET A 36 38.378 18.218 5.703 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.889 19.488 3.545 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.167 19.752 3.356 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.371 21.571 4.717 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.682 20.471 6.045 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.664 22.880 3.529 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.461 21.791 2.798 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.928 23.172 3.785 1.00 1.00 H new ATOM 527 N LEU A 37 35.268 18.127 4.593 1.00 1.00 N ATOM 528 CA LEU A 37 33.874 18.151 5.025 1.00 1.00 C ATOM 529 C LEU A 37 33.622 17.079 6.080 1.00 1.00 C ATOM 530 O LEU A 37 32.745 17.227 6.931 1.00 1.00 O ATOM 531 CB LEU A 37 32.952 17.917 3.826 1.00 1.00 C ATOM 532 CG LEU A 37 33.358 18.845 2.680 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.424 18.625 1.490 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.256 20.300 3.144 1.00 1.00 C ATOM 0 H LEU A 37 35.403 17.924 3.603 1.00 1.00 H new ATOM 0 HA LEU A 37 33.664 19.128 5.459 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.013 16.877 3.505 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.916 18.103 4.109 1.00 1.00 H new ATOM 0 HG LEU A 37 34.384 18.628 2.382 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.713 19.286 0.673 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.493 17.589 1.160 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.398 18.843 1.787 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.545 20.963 2.329 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.230 20.516 3.441 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.921 20.458 3.993 1.00 1.00 H new ATOM 546 N VAL A 38 34.397 16.001 6.018 1.00 1.00 N ATOM 547 CA VAL A 38 34.248 14.909 6.975 1.00 1.00 C ATOM 548 C VAL A 38 35.316 14.999 8.060 1.00 1.00 C ATOM 549 O VAL A 38 35.292 14.245 9.032 1.00 1.00 O ATOM 550 CB VAL A 38 34.363 13.565 6.254 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.270 12.430 7.275 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.223 13.433 5.241 1.00 1.00 C ATOM 0 H VAL A 38 35.129 15.860 5.322 1.00 1.00 H new ATOM 0 HA VAL A 38 33.266 14.989 7.440 1.00 1.00 H new ATOM 0 HB VAL A 38 35.320 13.510 5.735 1.00 1.00 H new ATOM 0 HG11 VAL A 38 34.352 11.472 6.762 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.079 12.525 7.999 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.312 12.484 7.793 1.00 1.00 H new ATOM 0 HG21 VAL A 38 33.303 12.476 4.726 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.266 13.487 5.761 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.287 14.243 4.514 1.00 1.00 H new ATOM 562 N PHE A 39 36.251 15.929 7.888 1.00 1.00 N ATOM 563 CA PHE A 39 37.323 16.108 8.860 1.00 1.00 C ATOM 564 C PHE A 39 36.767 16.645 10.175 1.00 1.00 C ATOM 565 O PHE A 39 37.260 16.309 11.252 1.00 1.00 O ATOM 566 CB PHE A 39 38.368 17.081 8.311 1.00 1.00 C ATOM 567 CG PHE A 39 39.405 17.359 9.372 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.433 16.436 9.605 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.341 18.539 10.123 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.395 16.694 10.589 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.303 18.796 11.106 1.00 1.00 C ATOM 572 CZ PHE A 39 41.330 17.874 11.340 1.00 1.00 C ATOM 0 H PHE A 39 36.288 16.565 7.091 1.00 1.00 H new ATOM 0 HA PHE A 39 37.789 15.140 9.043 1.00 1.00 H new ATOM 0 HB2 PHE A 39 38.843 16.659 7.425 1.00 1.00 H new ATOM 0 HB3 PHE A 39 37.889 18.010 8.004 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.483 15.526 9.026 1.00 1.00 H new ATOM 0 HD2 PHE A 39 38.549 19.251 9.943 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.187 15.983 10.769 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.253 19.706 11.685 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.072 18.073 12.099 1.00 1.00 H new ATOM 582 N LEU A 40 35.738 17.480 10.079 1.00 1.00 N ATOM 583 CA LEU A 40 35.121 18.058 11.267 1.00 1.00 C ATOM 584 C LEU A 40 33.816 17.340 11.595 1.00 1.00 C ATOM 585 O LEU A 40 33.190 17.609 12.621 1.00 1.00 O ATOM 586 CB LEU A 40 34.844 19.546 11.041 1.00 1.00 C ATOM 587 CG LEU A 40 34.042 19.725 9.751 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.817 20.599 10.030 1.00 1.00 C ATOM 589 CD2 LEU A 40 34.920 20.401 8.696 1.00 1.00 C ATOM 0 H LEU A 40 35.316 17.770 9.197 1.00 1.00 H new ATOM 0 HA LEU A 40 35.809 17.940 12.105 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.291 19.956 11.886 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.783 20.096 10.977 1.00 1.00 H new ATOM 0 HG LEU A 40 33.718 18.751 9.385 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.245 20.727 9.111 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.192 20.119 10.783 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.141 21.574 10.395 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.350 20.529 7.776 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.243 21.376 9.062 1.00 1.00 H new ATOM 0 HD23 LEU A 40 35.794 19.780 8.498 1.00 1.00 H new ATOM 601 N LEU A 41 33.412 16.427 10.718 1.00 1.00 N ATOM 602 CA LEU A 41 32.180 15.674 10.921 1.00 1.00 C ATOM 603 C LEU A 41 32.402 14.193 10.627 1.00 1.00 C ATOM 604 O LEU A 41 31.881 13.660 9.648 1.00 1.00 O ATOM 605 CB LEU A 41 31.078 16.217 10.008 1.00 1.00 C ATOM 606 CG LEU A 41 30.578 17.556 10.550 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.400 18.541 9.394 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.235 17.350 11.255 1.00 1.00 C ATOM 0 H LEU A 41 33.917 16.191 9.864 1.00 1.00 H new ATOM 0 HA LEU A 41 31.877 15.785 11.962 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.460 16.343 8.995 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.254 15.505 9.952 1.00 1.00 H new ATOM 0 HG LEU A 41 31.304 17.955 11.258 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.043 19.496 9.781 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.356 18.688 8.891 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.674 18.143 8.685 1.00 1.00 H new ATOM 0 HD21 LEU A 41 28.877 18.304 11.642 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.509 16.951 10.546 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.361 16.648 12.079 1.00 1.00 H new ATOM 620 N GLY A 42 33.179 13.537 11.481 1.00 1.00 N ATOM 621 CA GLY A 42 33.465 12.117 11.303 1.00 1.00 C ATOM 622 C GLY A 42 34.483 11.633 12.330 1.00 1.00 C ATOM 623 O GLY A 42 34.503 10.457 12.692 1.00 1.00 O ATOM 0 H GLY A 42 33.620 13.961 12.298 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.544 11.542 11.399 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.846 11.942 10.297 1.00 1.00 H new ATOM 627 N THR A 43 35.328 12.548 12.795 1.00 1.00 N ATOM 628 CA THR A 43 36.346 12.201 13.780 1.00 1.00 C ATOM 629 C THR A 43 36.447 13.285 14.848 1.00 1.00 C ATOM 630 O THR A 43 36.931 13.039 15.953 1.00 1.00 O ATOM 631 CB THR A 43 37.703 12.030 13.092 1.00 1.00 C ATOM 632 OG1 THR A 43 38.686 11.700 14.064 1.00 1.00 O ATOM 633 CG2 THR A 43 38.091 13.336 12.395 1.00 1.00 C ATOM 0 H THR A 43 35.329 13.527 12.509 1.00 1.00 H new ATOM 0 HA THR A 43 36.061 11.263 14.256 1.00 1.00 H new ATOM 0 HB THR A 43 37.639 11.231 12.353 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.555 11.589 13.625 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.057 13.214 11.905 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.336 13.589 11.651 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.156 14.136 13.132 1.00 1.00 H new ATOM 641 N THR A 44 35.988 14.486 14.512 1.00 1.00 N ATOM 642 CA THR A 44 36.032 15.601 15.449 1.00 1.00 C ATOM 643 C THR A 44 34.942 15.454 16.507 1.00 1.00 C ATOM 644 O THR A 44 34.936 16.170 17.508 1.00 1.00 O ATOM 645 CB THR A 44 35.844 16.922 14.699 1.00 1.00 C ATOM 646 OG1 THR A 44 37.030 17.228 13.979 1.00 1.00 O ATOM 647 CG2 THR A 44 35.547 18.041 15.698 1.00 1.00 C ATOM 0 H THR A 44 35.584 14.711 13.603 1.00 1.00 H new ATOM 0 HA THR A 44 37.004 15.599 15.942 1.00 1.00 H new ATOM 0 HB THR A 44 35.010 16.830 14.003 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.019 16.762 13.117 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.413 18.981 15.162 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.637 17.805 16.249 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.379 18.136 16.396 1.00 1.00 H new ATOM 655 N GLY A 45 34.023 14.522 16.277 1.00 1.00 N ATOM 656 CA GLY A 45 32.933 14.291 17.217 1.00 1.00 C ATOM 657 C GLY A 45 33.324 13.249 18.259 1.00 1.00 C ATOM 658 O GLY A 45 32.668 13.113 19.292 1.00 1.00 O ATOM 0 H GLY A 45 34.011 13.919 15.455 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.671 15.226 17.712 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.047 13.957 16.677 1.00 1.00 H new ATOM 662 N ASN A 46 34.397 12.515 17.982 1.00 1.00 N ATOM 663 CA ASN A 46 34.867 11.488 18.904 1.00 1.00 C ATOM 664 C ASN A 46 36.390 11.492 18.981 1.00 1.00 C ATOM 665 O ASN A 46 36.991 10.622 19.610 1.00 1.00 O ATOM 666 CB ASN A 46 34.381 10.112 18.445 1.00 1.00 C ATOM 667 CG ASN A 46 35.493 9.390 17.693 1.00 1.00 C ATOM 668 OD1 ASN A 46 36.083 9.983 16.691 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 35.833 8.255 18.025 1.00 1.00 N flip ATOM 0 H ASN A 46 34.954 12.611 17.133 1.00 1.00 H new ATOM 0 HA ASN A 46 34.465 11.704 19.894 1.00 1.00 H new ATOM 0 HB2 ASN A 46 34.070 9.521 19.307 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.508 10.222 17.802 1.00 1.00 H new ATOM 0 HD21 ASN A 46 35.371 7.793 18.808 1.00 1.00 H new ATOM 0 HD22 ASN A 46 36.577 7.776 17.517 1.00 1.00 H new ATOM 676 N GLY A 47 37.007 12.478 18.338 1.00 1.00 N ATOM 677 CA GLY A 47 38.462 12.585 18.341 1.00 1.00 C ATOM 678 C GLY A 47 38.940 13.457 19.496 1.00 1.00 C ATOM 679 O GLY A 47 40.125 13.777 19.596 1.00 1.00 O ATOM 0 H GLY A 47 36.527 13.209 17.812 1.00 1.00 H new ATOM 0 HA2 GLY A 47 38.904 11.592 18.423 1.00 1.00 H new ATOM 0 HA3 GLY A 47 38.802 13.008 17.396 1.00 1.00 H new ATOM 683 N LEU A 48 38.011 13.839 20.366 1.00 1.00 N ATOM 684 CA LEU A 48 38.351 14.676 21.512 1.00 1.00 C ATOM 685 C LEU A 48 38.474 13.831 22.775 1.00 1.00 C ATOM 686 O LEU A 48 39.325 14.090 23.627 1.00 1.00 O ATOM 687 CB LEU A 48 37.273 15.745 21.716 1.00 1.00 C ATOM 688 CG LEU A 48 37.083 16.539 20.421 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.972 17.571 20.615 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.386 17.258 20.059 1.00 1.00 C ATOM 0 H LEU A 48 37.025 13.585 20.301 1.00 1.00 H new ATOM 0 HA LEU A 48 39.309 15.157 21.315 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.333 15.277 22.008 1.00 1.00 H new ATOM 0 HB3 LEU A 48 37.560 16.415 22.526 1.00 1.00 H new ATOM 0 HG LEU A 48 36.812 15.855 19.616 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.836 18.137 19.693 1.00 1.00 H new ATOM 0 HD12 LEU A 48 35.042 17.061 20.868 1.00 1.00 H new ATOM 0 HD13 LEU A 48 36.244 18.252 21.422 1.00 1.00 H new ATOM 0 HD21 LEU A 48 38.246 17.822 19.137 1.00 1.00 H new ATOM 0 HD22 LEU A 48 38.661 17.940 20.863 1.00 1.00 H new ATOM 0 HD23 LEU A 48 39.180 16.524 19.919 1.00 1.00 H new ATOM 702 N VAL A 49 37.621 12.818 22.890 1.00 1.00 N ATOM 703 CA VAL A 49 37.646 11.941 24.055 1.00 1.00 C ATOM 704 C VAL A 49 39.047 11.380 24.272 1.00 1.00 C ATOM 705 O VAL A 49 39.318 10.736 25.286 1.00 1.00 O ATOM 706 CB VAL A 49 36.655 10.791 23.868 1.00 1.00 C ATOM 707 CG1 VAL A 49 35.265 11.234 24.328 1.00 1.00 C ATOM 708 CG2 VAL A 49 36.601 10.401 22.389 1.00 1.00 C ATOM 0 H VAL A 49 36.910 12.585 22.197 1.00 1.00 H new ATOM 0 HA VAL A 49 37.361 12.524 24.931 1.00 1.00 H new ATOM 0 HB VAL A 49 36.977 9.934 24.460 1.00 1.00 H new ATOM 0 HG11 VAL A 49 34.559 10.414 24.195 1.00 1.00 H new ATOM 0 HG12 VAL A 49 35.302 11.513 25.381 1.00 1.00 H new ATOM 0 HG13 VAL A 49 34.942 12.091 23.737 1.00 1.00 H new ATOM 0 HG21 VAL A 49 35.895 9.581 22.254 1.00 1.00 H new ATOM 0 HG22 VAL A 49 36.279 11.258 21.798 1.00 1.00 H new ATOM 0 HG23 VAL A 49 37.591 10.085 22.060 1.00 1.00 H new ATOM 718 N LEU A 50 39.934 11.628 23.312 1.00 1.00 N ATOM 719 CA LEU A 50 41.306 11.143 23.409 1.00 1.00 C ATOM 720 C LEU A 50 42.246 12.275 23.810 1.00 1.00 C ATOM 721 O LEU A 50 43.018 12.147 24.760 1.00 1.00 O ATOM 722 CB LEU A 50 41.752 10.562 22.066 1.00 1.00 C ATOM 723 CG LEU A 50 40.619 9.731 21.464 1.00 1.00 C ATOM 724 CD1 LEU A 50 41.103 9.064 20.175 1.00 1.00 C ATOM 725 CD2 LEU A 50 40.187 8.655 22.462 1.00 1.00 C ATOM 0 H LEU A 50 39.729 12.158 22.465 1.00 1.00 H new ATOM 0 HA LEU A 50 41.343 10.365 24.172 1.00 1.00 H new ATOM 0 HB2 LEU A 50 42.028 11.366 21.384 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.638 9.942 22.203 1.00 1.00 H new ATOM 0 HG LEU A 50 39.773 10.381 21.242 1.00 1.00 H new ATOM 0 HD11 LEU A 50 40.295 8.472 19.746 1.00 1.00 H new ATOM 0 HD12 LEU A 50 41.409 9.829 19.462 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.950 8.415 20.397 1.00 1.00 H new ATOM 0 HD21 LEU A 50 39.379 8.063 22.032 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.033 8.006 22.686 1.00 1.00 H new ATOM 0 HD23 LEU A 50 39.840 9.129 23.380 1.00 1.00 H new ATOM 737 N TRP A 51 42.176 13.382 23.078 1.00 1.00 N ATOM 738 CA TRP A 51 43.026 14.531 23.364 1.00 1.00 C ATOM 739 C TRP A 51 42.449 15.351 24.514 1.00 1.00 C ATOM 740 O TRP A 51 43.077 15.493 25.562 1.00 1.00 O ATOM 741 CB TRP A 51 43.153 15.408 22.116 1.00 1.00 C ATOM 742 CG TRP A 51 43.393 16.828 22.521 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.322 17.235 23.416 1.00 1.00 C ATOM 744 CD2 TRP A 51 42.711 18.031 22.063 1.00 1.00 C ATOM 745 NE1 TRP A 51 44.254 18.611 23.537 1.00 1.00 N ATOM 746 CE2 TRP A 51 43.276 19.149 22.722 1.00 1.00 C ATOM 747 CE3 TRP A 51 41.668 18.260 21.147 1.00 1.00 C ATOM 748 CZ2 TRP A 51 42.823 20.446 22.482 1.00 1.00 C ATOM 749 CZ3 TRP A 51 41.209 19.565 20.904 1.00 1.00 C ATOM 750 CH2 TRP A 51 41.786 20.655 21.569 1.00 1.00 C ATOM 0 H TRP A 51 41.544 13.507 22.287 1.00 1.00 H new ATOM 0 HA TRP A 51 44.013 14.169 23.654 1.00 1.00 H new ATOM 0 HB2 TRP A 51 43.974 15.054 21.493 1.00 1.00 H new ATOM 0 HB3 TRP A 51 42.245 15.339 21.517 1.00 1.00 H new ATOM 0 HD1 TRP A 51 45.005 16.591 23.949 1.00 1.00 H new ATOM 0 HE1 TRP A 51 44.853 19.162 24.153 1.00 1.00 H new ATOM 0 HE3 TRP A 51 41.218 17.427 20.627 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 43.270 21.283 22.998 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 40.406 19.729 20.200 1.00 1.00 H new ATOM 0 HH2 TRP A 51 41.429 21.656 21.376 1.00 1.00 H new ATOM 761 N THR A 52 41.252 15.890 24.310 1.00 1.00 N ATOM 762 CA THR A 52 40.602 16.693 25.340 1.00 1.00 C ATOM 763 C THR A 52 40.583 15.944 26.668 1.00 1.00 C ATOM 764 O THR A 52 40.249 16.513 27.708 1.00 1.00 O ATOM 765 CB THR A 52 39.170 17.028 24.918 1.00 1.00 C ATOM 766 OG1 THR A 52 39.199 17.948 23.836 1.00 1.00 O ATOM 767 CG2 THR A 52 38.420 17.649 26.097 1.00 1.00 C ATOM 0 H THR A 52 40.716 15.787 23.449 1.00 1.00 H new ATOM 0 HA THR A 52 41.167 17.617 25.465 1.00 1.00 H new ATOM 0 HB THR A 52 38.661 16.116 24.606 1.00 1.00 H new ATOM 0 HG1 THR A 52 38.282 18.162 23.564 1.00 1.00 H new ATOM 0 HG21 THR A 52 37.400 17.887 25.795 1.00 1.00 H new ATOM 0 HG22 THR A 52 38.397 16.942 26.927 1.00 1.00 H new ATOM 0 HG23 THR A 52 38.927 18.561 26.411 1.00 1.00 H new ATOM 775 N VAL A 53 40.942 14.665 26.627 1.00 1.00 N ATOM 776 CA VAL A 53 40.963 13.847 27.834 1.00 1.00 C ATOM 777 C VAL A 53 42.385 13.717 28.367 1.00 1.00 C ATOM 778 O VAL A 53 42.595 13.565 29.570 1.00 1.00 O ATOM 779 CB VAL A 53 40.396 12.459 27.532 1.00 1.00 C ATOM 780 CG1 VAL A 53 40.891 11.464 28.585 1.00 1.00 C ATOM 781 CG2 VAL A 53 38.868 12.515 27.565 1.00 1.00 C ATOM 0 H VAL A 53 41.221 14.175 25.777 1.00 1.00 H new ATOM 0 HA VAL A 53 40.348 14.332 28.592 1.00 1.00 H new ATOM 0 HB VAL A 53 40.728 12.139 26.545 1.00 1.00 H new ATOM 0 HG11 VAL A 53 40.487 10.475 28.369 1.00 1.00 H new ATOM 0 HG12 VAL A 53 41.980 11.423 28.564 1.00 1.00 H new ATOM 0 HG13 VAL A 53 40.559 11.784 29.573 1.00 1.00 H new ATOM 0 HG21 VAL A 53 38.463 11.526 27.350 1.00 1.00 H new ATOM 0 HG22 VAL A 53 38.537 12.836 28.553 1.00 1.00 H new ATOM 0 HG23 VAL A 53 38.514 13.223 26.816 1.00 1.00 H new ATOM 791 N PHE A 54 43.358 13.775 27.464 1.00 1.00 N ATOM 792 CA PHE A 54 44.758 13.662 27.857 1.00 1.00 C ATOM 793 C PHE A 54 45.096 14.683 28.939 1.00 1.00 C ATOM 794 O PHE A 54 46.157 14.616 29.560 1.00 1.00 O ATOM 795 CB PHE A 54 45.661 13.884 26.642 1.00 1.00 C ATOM 796 CG PHE A 54 47.017 13.274 26.904 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.236 11.916 26.646 1.00 1.00 C ATOM 798 CD2 PHE A 54 48.057 14.067 27.406 1.00 1.00 C ATOM 799 CE1 PHE A 54 48.493 11.350 26.889 1.00 1.00 C ATOM 800 CE2 PHE A 54 49.314 13.502 27.648 1.00 1.00 C ATOM 801 CZ PHE A 54 49.533 12.143 27.390 1.00 1.00 C ATOM 0 H PHE A 54 43.205 13.899 26.463 1.00 1.00 H new ATOM 0 HA PHE A 54 44.924 12.661 28.255 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.213 13.434 25.756 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.763 14.951 26.441 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.434 11.304 26.259 1.00 1.00 H new ATOM 0 HD2 PHE A 54 47.889 15.115 27.606 1.00 1.00 H new ATOM 0 HE1 PHE A 54 48.661 10.302 26.690 1.00 1.00 H new ATOM 0 HE2 PHE A 54 50.116 14.114 28.034 1.00 1.00 H new ATOM 0 HZ PHE A 54 50.503 11.707 27.577 1.00 1.00 H new ATOM 811 N ARG A 55 44.187 15.628 29.158 1.00 1.00 N ATOM 812 CA ARG A 55 44.399 16.660 30.166 1.00 1.00 C ATOM 813 C ARG A 55 43.600 16.347 31.427 1.00 1.00 C ATOM 814 O ARG A 55 43.888 16.874 32.502 1.00 1.00 O ATOM 815 CB ARG A 55 43.974 18.022 29.616 1.00 1.00 C ATOM 816 CG ARG A 55 44.615 18.242 28.244 1.00 1.00 C ATOM 817 CD ARG A 55 43.556 18.075 27.154 1.00 1.00 C ATOM 818 NE ARG A 55 42.639 19.210 27.164 1.00 1.00 N ATOM 819 CZ ARG A 55 43.028 20.412 26.754 1.00 1.00 C ATOM 820 NH1 ARG A 55 44.250 20.594 26.332 1.00 1.00 N ATOM 821 NH2 ARG A 55 42.189 21.411 26.771 1.00 1.00 N ATOM 0 H ARG A 55 43.303 15.700 28.655 1.00 1.00 H new ATOM 0 HA ARG A 55 45.459 16.685 30.417 1.00 1.00 H new ATOM 0 HB2 ARG A 55 42.888 18.070 29.534 1.00 1.00 H new ATOM 0 HB3 ARG A 55 44.277 18.813 30.302 1.00 1.00 H new ATOM 0 HG2 ARG A 55 45.053 19.239 28.191 1.00 1.00 H new ATOM 0 HG3 ARG A 55 45.425 17.529 28.091 1.00 1.00 H new ATOM 0 HD2 ARG A 55 44.037 17.995 26.179 1.00 1.00 H new ATOM 0 HD3 ARG A 55 43.003 17.150 27.313 1.00 1.00 H new ATOM 0 HE ARG A 55 41.682 19.078 27.492 1.00 1.00 H new ATOM 0 HH11 ARG A 55 44.906 19.813 26.317 1.00 1.00 H new ATOM 0 HH12 ARG A 55 44.549 21.517 26.017 1.00 1.00 H new ATOM 0 HH21 ARG A 55 41.234 21.269 27.099 1.00 1.00 H new ATOM 0 HH22 ARG A 55 42.488 22.334 26.456 1.00 1.00 H new ATOM 835 N LYS A 56 42.596 15.487 31.289 1.00 1.00 N ATOM 836 CA LYS A 56 41.763 15.112 32.425 1.00 1.00 C ATOM 837 C LYS A 56 42.314 13.864 33.106 1.00 1.00 C ATOM 838 O LYS A 56 41.775 13.404 34.113 1.00 1.00 O ATOM 839 CB LYS A 56 40.329 14.849 31.957 1.00 1.00 C ATOM 840 CG LYS A 56 39.556 16.168 31.912 1.00 1.00 C ATOM 841 CD LYS A 56 40.280 17.154 30.991 1.00 1.00 C ATOM 842 CE LYS A 56 39.381 18.363 30.728 1.00 1.00 C ATOM 843 NZ LYS A 56 40.202 19.488 30.200 1.00 1.00 N ATOM 0 H LYS A 56 42.341 15.040 30.408 1.00 1.00 H new ATOM 0 HA LYS A 56 41.767 15.934 33.141 1.00 1.00 H new ATOM 0 HB2 LYS A 56 40.337 14.386 30.970 1.00 1.00 H new ATOM 0 HB3 LYS A 56 39.837 14.150 32.633 1.00 1.00 H new ATOM 0 HG2 LYS A 56 38.542 15.995 31.552 1.00 1.00 H new ATOM 0 HG3 LYS A 56 39.471 16.586 32.915 1.00 1.00 H new ATOM 0 HD2 LYS A 56 41.215 17.476 31.449 1.00 1.00 H new ATOM 0 HD3 LYS A 56 40.537 16.667 30.050 1.00 1.00 H new ATOM 0 HE2 LYS A 56 38.601 18.101 30.013 1.00 1.00 H new ATOM 0 HE3 LYS A 56 38.881 18.665 31.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 39.590 20.310 30.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 40.930 19.743 30.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 40.659 19.197 29.312 1.00 1.00 H new