USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 280 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 32 ASN : amide:sc= 1.39 K(o=2.5,f=-4.9) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.101 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 2 17.956 9.280 -3.716 1.00 0.00 N ATOM 20 CA VAL A 2 18.816 9.472 -2.519 1.00 0.00 C ATOM 21 C VAL A 2 18.692 8.300 -1.524 1.00 0.00 C ATOM 22 O VAL A 2 18.843 8.467 -0.314 1.00 0.00 O ATOM 23 CB VAL A 2 18.544 10.838 -1.838 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.908 12.013 -2.753 1.00 0.00 C ATOM 25 CG2 VAL A 2 17.084 11.014 -1.387 1.00 0.00 C ATOM 0 HA VAL A 2 19.850 9.482 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 2 19.182 10.838 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.703 12.952 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.967 11.962 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.314 11.961 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.963 11.991 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.425 10.942 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.828 10.234 -0.670 1.00 0.00 H new ATOM 35 N PHE A 3 18.345 7.110 -2.031 1.00 0.00 N ATOM 36 CA PHE A 3 17.923 5.922 -1.265 1.00 0.00 C ATOM 37 C PHE A 3 16.877 6.220 -0.164 1.00 0.00 C ATOM 38 O PHE A 3 16.891 5.645 0.925 1.00 0.00 O ATOM 39 CB PHE A 3 19.155 5.122 -0.801 1.00 0.00 C ATOM 40 CG PHE A 3 18.844 3.695 -0.374 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.050 3.285 0.958 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.328 2.775 -1.310 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.731 1.973 1.354 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.005 1.465 -0.913 1.00 0.00 C ATOM 45 CZ PHE A 3 18.204 1.063 0.419 1.00 0.00 C ATOM 0 H PHE A 3 18.350 6.937 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 3 17.365 5.270 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.885 5.097 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.622 5.646 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.455 3.981 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.180 3.078 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.891 1.664 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.603 0.767 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.953 0.058 0.724 1.00 0.00 H new ATOM 55 N TYR A 4 15.943 7.129 -0.478 1.00 0.00 N ATOM 56 CA TYR A 4 14.708 7.410 0.273 1.00 0.00 C ATOM 57 C TYR A 4 14.889 7.816 1.752 1.00 0.00 C ATOM 58 O TYR A 4 13.948 7.704 2.538 1.00 0.00 O ATOM 59 CB TYR A 4 13.731 6.232 0.083 1.00 0.00 C ATOM 60 CG TYR A 4 13.571 5.795 -1.363 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.816 6.582 -2.255 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.224 4.635 -1.829 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.718 6.215 -3.611 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.129 4.266 -3.185 1.00 0.00 C ATOM 65 CZ TYR A 4 13.375 5.057 -4.081 1.00 0.00 C ATOM 66 OH TYR A 4 13.280 4.714 -5.395 1.00 0.00 O ATOM 0 H TYR A 4 16.032 7.719 -1.305 1.00 0.00 H new ATOM 0 HA TYR A 4 14.284 8.319 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.080 5.384 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.755 6.514 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.312 7.468 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.798 4.028 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.139 6.820 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.632 3.379 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 4 13.790 3.893 -5.556 1.00 0.00 H new ATOM 76 N VAL A 5 16.071 8.315 2.143 1.00 0.00 N ATOM 77 CA VAL A 5 16.414 8.661 3.541 1.00 0.00 C ATOM 78 C VAL A 5 15.410 9.597 4.232 1.00 0.00 C ATOM 79 O VAL A 5 15.172 9.451 5.431 1.00 0.00 O ATOM 80 CB VAL A 5 17.844 9.230 3.663 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.889 8.159 3.335 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.098 10.461 2.779 1.00 0.00 C ATOM 0 H VAL A 5 16.833 8.495 1.489 1.00 0.00 H new ATOM 0 HA VAL A 5 16.361 7.711 4.072 1.00 0.00 H new ATOM 0 HB VAL A 5 17.938 9.549 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.888 8.585 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.784 7.324 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.739 7.805 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.123 10.804 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.943 10.196 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.408 11.257 3.057 1.00 0.00 H new ATOM 92 N ALA A 6 14.777 10.514 3.490 1.00 0.00 N ATOM 93 CA ALA A 6 13.693 11.357 3.999 1.00 0.00 C ATOM 94 C ALA A 6 12.386 10.565 4.202 1.00 0.00 C ATOM 95 O ALA A 6 11.821 10.572 5.295 1.00 0.00 O ATOM 96 CB ALA A 6 13.498 12.533 3.031 1.00 0.00 C ATOM 0 H ALA A 6 15.006 10.692 2.512 1.00 0.00 H new ATOM 0 HA ALA A 6 13.966 11.734 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.694 13.173 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.421 13.110 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.241 12.152 2.043 1.00 0.00 H new ATOM 102 N LEU A 7 11.923 9.832 3.182 1.00 0.00 N ATOM 103 CA LEU A 7 10.690 9.029 3.217 1.00 0.00 C ATOM 104 C LEU A 7 10.709 8.015 4.380 1.00 0.00 C ATOM 105 O LEU A 7 9.748 7.892 5.140 1.00 0.00 O ATOM 106 CB LEU A 7 10.526 8.347 1.840 1.00 0.00 C ATOM 107 CG LEU A 7 9.084 8.035 1.395 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.125 7.442 -0.015 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.344 7.044 2.295 1.00 0.00 C ATOM 0 H LEU A 7 12.406 9.778 2.285 1.00 0.00 H new ATOM 0 HA LEU A 7 9.828 9.670 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.985 8.986 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.089 7.414 1.852 1.00 0.00 H new ATOM 0 HG LEU A 7 8.541 8.979 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.111 7.216 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.577 8.161 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.717 6.527 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.338 6.882 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.882 6.096 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.284 7.446 3.306 1.00 0.00 H new ATOM 121 N THR A 8 11.845 7.343 4.579 1.00 0.00 N ATOM 122 CA THR A 8 12.067 6.369 5.660 1.00 0.00 C ATOM 123 C THR A 8 12.037 6.985 7.073 1.00 0.00 C ATOM 124 O THR A 8 11.827 6.255 8.043 1.00 0.00 O ATOM 125 CB THR A 8 13.384 5.605 5.399 1.00 0.00 C ATOM 126 OG1 THR A 8 13.329 5.026 4.110 1.00 0.00 O ATOM 127 CG2 THR A 8 13.657 4.440 6.354 1.00 0.00 C ATOM 0 H THR A 8 12.661 7.462 3.978 1.00 0.00 H new ATOM 0 HA THR A 8 11.229 5.673 5.644 1.00 0.00 H new ATOM 0 HB THR A 8 14.169 6.349 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.500 5.715 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.603 3.967 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.710 4.813 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.852 3.709 6.276 1.00 0.00 H new ATOM 135 N ALA A 9 12.177 8.313 7.220 1.00 0.00 N ATOM 136 CA ALA A 9 12.351 8.983 8.516 1.00 0.00 C ATOM 137 C ALA A 9 11.311 10.088 8.797 1.00 0.00 C ATOM 138 O ALA A 9 10.515 9.942 9.725 1.00 0.00 O ATOM 139 CB ALA A 9 13.789 9.514 8.589 1.00 0.00 C ATOM 0 H ALA A 9 12.172 8.958 6.430 1.00 0.00 H new ATOM 0 HA ALA A 9 12.176 8.251 9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.943 10.017 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.489 8.683 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.958 10.220 7.776 1.00 0.00 H new ATOM 145 N VAL A 10 11.255 11.162 7.998 1.00 0.00 N ATOM 146 CA VAL A 10 10.272 12.260 8.171 1.00 0.00 C ATOM 147 C VAL A 10 8.868 11.916 7.647 1.00 0.00 C ATOM 148 O VAL A 10 7.906 12.617 7.971 1.00 0.00 O ATOM 149 CB VAL A 10 10.762 13.608 7.599 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.999 14.102 8.360 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.091 13.582 6.104 1.00 0.00 C ATOM 0 H VAL A 10 11.887 11.302 7.210 1.00 0.00 H new ATOM 0 HA VAL A 10 10.185 12.378 9.251 1.00 0.00 H new ATOM 0 HB VAL A 10 9.920 14.287 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.328 15.053 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.749 14.236 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.800 13.368 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.427 14.570 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.880 12.854 5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.200 13.304 5.540 1.00 0.00 H new ATOM 180 N VAL A 12 8.232 8.366 8.082 1.00 0.00 N ATOM 181 CA VAL A 12 8.278 7.109 8.867 1.00 0.00 C ATOM 182 C VAL A 12 8.089 5.798 8.075 1.00 0.00 C ATOM 183 O VAL A 12 7.520 4.830 8.586 1.00 0.00 O ATOM 184 CB VAL A 12 7.367 7.195 10.118 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.811 8.329 11.052 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.877 7.392 9.801 1.00 0.00 C ATOM 0 HA VAL A 12 9.314 7.034 9.196 1.00 0.00 H new ATOM 0 HB VAL A 12 7.478 6.225 10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.153 8.364 11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.835 8.150 11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.761 9.279 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.311 7.442 10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.743 8.320 9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.519 6.555 9.202 1.00 0.00 H new ATOM 196 N ALA A 13 8.564 5.751 6.823 1.00 0.00 N ATOM 197 CA ALA A 13 8.382 4.634 5.886 1.00 0.00 C ATOM 198 C ALA A 13 6.904 4.203 5.692 1.00 0.00 C ATOM 199 O ALA A 13 6.616 3.019 5.496 1.00 0.00 O ATOM 200 CB ALA A 13 9.315 3.475 6.285 1.00 0.00 C ATOM 0 H ALA A 13 9.105 6.517 6.421 1.00 0.00 H new ATOM 0 HA ALA A 13 8.669 4.981 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.182 2.645 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.351 3.813 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.074 3.145 7.296 1.00 0.00 H new ATOM 206 N VAL A 14 5.959 5.155 5.745 1.00 0.00 N ATOM 207 CA VAL A 14 4.496 4.931 5.673 1.00 0.00 C ATOM 208 C VAL A 14 4.024 4.077 4.481 1.00 0.00 C ATOM 209 O VAL A 14 2.997 3.400 4.569 1.00 0.00 O ATOM 210 CB VAL A 14 3.751 6.284 5.749 1.00 0.00 C ATOM 211 CG1 VAL A 14 3.955 7.152 4.499 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.248 6.127 6.004 1.00 0.00 C ATOM 0 H VAL A 14 6.196 6.142 5.843 1.00 0.00 H new ATOM 0 HA VAL A 14 4.240 4.325 6.542 1.00 0.00 H new ATOM 0 HB VAL A 14 4.200 6.790 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.408 8.088 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.017 7.365 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.586 6.620 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.781 7.111 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.800 5.548 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.092 5.610 6.951 1.00 0.00 H new ATOM 222 N ALA A 15 4.806 4.027 3.397 1.00 0.00 N ATOM 223 CA ALA A 15 4.608 3.133 2.254 1.00 0.00 C ATOM 224 C ALA A 15 4.465 1.638 2.631 1.00 0.00 C ATOM 225 O ALA A 15 3.778 0.898 1.926 1.00 0.00 O ATOM 226 CB ALA A 15 5.767 3.354 1.274 1.00 0.00 C ATOM 0 H ALA A 15 5.622 4.629 3.289 1.00 0.00 H new ATOM 0 HA ALA A 15 3.653 3.385 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.644 2.699 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.771 4.393 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.711 3.128 1.770 1.00 0.00 H new ATOM 232 N LEU A 16 5.046 1.199 3.757 1.00 0.00 N ATOM 233 CA LEU A 16 4.852 -0.139 4.335 1.00 0.00 C ATOM 234 C LEU A 16 3.366 -0.449 4.592 1.00 0.00 C ATOM 235 O LEU A 16 2.852 -1.482 4.161 1.00 0.00 O ATOM 236 CB LEU A 16 5.671 -0.212 5.643 1.00 0.00 C ATOM 237 CG LEU A 16 5.481 -1.496 6.476 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.905 -2.754 5.716 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.310 -1.403 7.757 1.00 0.00 C ATOM 0 H LEU A 16 5.680 1.780 4.305 1.00 0.00 H new ATOM 0 HA LEU A 16 5.198 -0.893 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.728 -0.114 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.408 0.645 6.264 1.00 0.00 H new ATOM 0 HG LEU A 16 4.417 -1.576 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.751 -3.629 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.307 -2.850 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.959 -2.680 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.175 -2.311 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.364 -1.290 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.984 -0.542 8.340 1.00 0.00 H new ATOM 251 N TYR A 17 2.669 0.458 5.277 1.00 0.00 N ATOM 252 CA TYR A 17 1.258 0.299 5.641 1.00 0.00 C ATOM 253 C TYR A 17 0.331 0.504 4.435 1.00 0.00 C ATOM 254 O TYR A 17 -0.696 -0.168 4.332 1.00 0.00 O ATOM 255 CB TYR A 17 0.913 1.271 6.778 1.00 0.00 C ATOM 256 CG TYR A 17 1.912 1.245 7.924 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.060 0.084 8.711 1.00 0.00 C ATOM 258 CD2 TYR A 17 2.738 2.361 8.160 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.042 0.037 9.719 1.00 0.00 C ATOM 260 CE2 TYR A 17 3.722 2.318 9.166 1.00 0.00 C ATOM 261 CZ TYR A 17 3.878 1.151 9.949 1.00 0.00 C ATOM 262 OH TYR A 17 4.829 1.093 10.921 1.00 0.00 O ATOM 0 H TYR A 17 3.073 1.337 5.600 1.00 0.00 H new ATOM 0 HA TYR A 17 1.102 -0.724 5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.860 2.283 6.376 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.077 1.029 7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.420 -0.769 8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.616 3.255 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.156 -0.854 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.356 3.175 9.339 1.00 0.00 H new ATOM 0 HH TYR A 17 5.319 1.941 10.950 1.00 0.00 H new ATOM 272 N ALA A 18 0.720 1.370 3.490 1.00 0.00 N ATOM 273 CA ALA A 18 0.039 1.518 2.204 1.00 0.00 C ATOM 274 C ALA A 18 0.084 0.212 1.387 1.00 0.00 C ATOM 275 O ALA A 18 -0.966 -0.306 1.011 1.00 0.00 O ATOM 276 CB ALA A 18 0.650 2.698 1.441 1.00 0.00 C ATOM 0 H ALA A 18 1.522 1.990 3.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.016 1.729 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.145 2.812 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.529 3.610 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.711 2.512 1.273 1.00 0.00 H new ATOM 282 N TYR A 19 1.265 -0.388 1.184 1.00 0.00 N ATOM 283 CA TYR A 19 1.397 -1.706 0.544 1.00 0.00 C ATOM 284 C TYR A 19 0.601 -2.786 1.296 1.00 0.00 C ATOM 285 O TYR A 19 -0.094 -3.594 0.679 1.00 0.00 O ATOM 286 CB TYR A 19 2.882 -2.086 0.438 1.00 0.00 C ATOM 287 CG TYR A 19 3.139 -3.355 -0.360 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.108 -4.614 0.273 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.399 -3.273 -1.743 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.322 -5.789 -0.476 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.626 -4.444 -2.492 1.00 0.00 C ATOM 292 CZ TYR A 19 3.580 -5.707 -1.862 1.00 0.00 C ATOM 293 OH TYR A 19 3.783 -6.845 -2.581 1.00 0.00 O ATOM 0 H TYR A 19 2.156 0.026 1.458 1.00 0.00 H new ATOM 0 HA TYR A 19 0.976 -1.643 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.426 -1.262 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.287 -2.212 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.920 -4.679 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.424 -2.309 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.289 -6.753 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.835 -4.376 -3.549 1.00 0.00 H new ATOM 0 HH TYR A 19 3.946 -6.614 -3.519 1.00 0.00 H new ATOM 303 N GLY A 20 0.620 -2.736 2.633 1.00 0.00 N ATOM 304 CA GLY A 20 -0.121 -3.623 3.535 1.00 0.00 C ATOM 305 C GLY A 20 -1.657 -3.545 3.482 1.00 0.00 C ATOM 306 O GLY A 20 -2.310 -4.276 4.227 1.00 0.00 O ATOM 0 H GLY A 20 1.177 -2.046 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.174 -4.650 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.194 -3.409 4.556 1.00 0.00 H new ATOM 310 N LEU A 21 -2.241 -2.709 2.608 1.00 0.00 N ATOM 311 CA LEU A 21 -3.685 -2.698 2.319 1.00 0.00 C ATOM 312 C LEU A 21 -4.035 -2.493 0.832 1.00 0.00 C ATOM 313 O LEU A 21 -5.041 -3.027 0.365 1.00 0.00 O ATOM 314 CB LEU A 21 -4.389 -1.696 3.258 1.00 0.00 C ATOM 315 CG LEU A 21 -4.166 -0.196 2.972 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.230 0.381 2.033 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.247 0.600 4.277 1.00 0.00 C ATOM 0 H LEU A 21 -1.718 -2.014 2.076 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.068 -3.697 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.461 -1.893 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.062 -1.899 4.278 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.185 -0.113 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.030 1.439 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.203 -0.151 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.215 0.267 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.089 1.658 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.230 0.462 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.480 0.248 4.966 1.00 0.00 H new ATOM 342 N PHE A 23 -2.076 -3.692 -1.604 1.00 0.00 N ATOM 343 CA PHE A 23 -1.499 -4.864 -2.277 1.00 0.00 C ATOM 344 C PHE A 23 -1.630 -6.139 -1.424 1.00 0.00 C ATOM 345 O PHE A 23 -2.194 -7.126 -1.901 1.00 0.00 O ATOM 346 CB PHE A 23 -0.030 -4.566 -2.646 1.00 0.00 C ATOM 347 CG PHE A 23 0.418 -5.049 -4.018 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.109 -6.348 -4.474 1.00 0.00 C ATOM 349 CD2 PHE A 23 1.168 -4.190 -4.846 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.545 -6.778 -5.741 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.608 -4.622 -6.110 1.00 0.00 C ATOM 352 CZ PHE A 23 1.296 -5.917 -6.558 1.00 0.00 C ATOM 0 HA PHE A 23 -2.060 -5.056 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.128 -3.489 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.614 -5.021 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.465 -7.015 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.407 -3.193 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.302 -7.772 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.186 -3.959 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.633 -6.250 -7.529 1.00 0.00 H new ATOM 362 N ARG A 24 -1.191 -6.102 -0.154 1.00 0.00 N ATOM 363 CA ARG A 24 -1.273 -7.178 0.867 1.00 0.00 C ATOM 364 C ARG A 24 -0.972 -8.607 0.362 1.00 0.00 C ATOM 365 O ARG A 24 -1.581 -9.581 0.805 1.00 0.00 O ATOM 366 CB ARG A 24 -2.562 -7.022 1.711 1.00 0.00 C ATOM 367 CG ARG A 24 -3.913 -6.915 0.977 1.00 0.00 C ATOM 368 CD ARG A 24 -4.384 -8.212 0.311 1.00 0.00 C ATOM 369 NE ARG A 24 -5.694 -8.026 -0.343 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.926 -7.689 -1.599 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.973 -7.479 -2.464 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.152 -7.552 -2.004 1.00 0.00 N ATOM 0 H ARG A 24 -0.738 -5.267 0.218 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.432 -7.034 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.620 -7.874 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.448 -6.131 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.673 -6.591 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.837 -6.138 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.648 -8.534 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.455 -9.003 1.057 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.516 -8.175 0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.998 -7.573 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.203 -7.221 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.924 -7.704 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.343 -7.292 -2.972 1.00 0.00 H new ATOM 386 N LEU A 25 -0.033 -8.721 -0.582 1.00 0.00 N ATOM 387 CA LEU A 25 0.290 -9.949 -1.328 1.00 0.00 C ATOM 388 C LEU A 25 0.862 -11.092 -0.461 1.00 0.00 C ATOM 389 O LEU A 25 0.733 -12.265 -0.816 1.00 0.00 O ATOM 390 CB LEU A 25 1.281 -9.555 -2.443 1.00 0.00 C ATOM 391 CG LEU A 25 1.580 -10.642 -3.494 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.328 -11.065 -4.268 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.600 -10.108 -4.501 1.00 0.00 C ATOM 0 H LEU A 25 0.548 -7.931 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.637 -10.357 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.889 -8.678 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.221 -9.258 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 25 1.964 -11.509 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.592 -11.832 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.412 -11.463 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.088 -10.201 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.813 -10.876 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.195 -9.225 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.520 -9.842 -3.981 1.00 0.00 H new ATOM 424 N GLY A 27 2.373 -12.010 4.009 1.00 0.00 N ATOM 425 CA GLY A 27 2.081 -11.724 5.422 1.00 0.00 C ATOM 426 C GLY A 27 2.942 -12.439 6.467 1.00 0.00 C ATOM 427 O GLY A 27 2.566 -12.469 7.640 1.00 0.00 O ATOM 0 HA2 GLY A 27 2.181 -10.650 5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.038 -11.978 5.611 1.00 0.00 H new ATOM 431 N ALA A 28 4.085 -13.014 6.078 1.00 0.00 N ATOM 432 CA ALA A 28 4.985 -13.721 6.998 1.00 0.00 C ATOM 433 C ALA A 28 5.605 -12.813 8.087 1.00 0.00 C ATOM 434 O ALA A 28 5.855 -13.277 9.204 1.00 0.00 O ATOM 435 CB ALA A 28 6.076 -14.405 6.165 1.00 0.00 C ATOM 0 H ALA A 28 4.414 -13.003 5.113 1.00 0.00 H new ATOM 0 HA ALA A 28 4.396 -14.455 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.759 -14.938 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.617 -15.111 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.629 -13.653 5.602 1.00 0.00 H new ATOM 441 N SER A 29 5.829 -11.526 7.773 1.00 0.00 N ATOM 442 CA SER A 29 6.612 -10.583 8.599 1.00 0.00 C ATOM 443 C SER A 29 6.105 -9.124 8.552 1.00 0.00 C ATOM 444 O SER A 29 6.852 -8.202 8.892 1.00 0.00 O ATOM 445 CB SER A 29 8.094 -10.624 8.172 1.00 0.00 C ATOM 446 OG SER A 29 8.636 -11.939 8.231 1.00 0.00 O ATOM 0 H SER A 29 5.464 -11.100 6.921 1.00 0.00 H new ATOM 0 HA SER A 29 6.490 -10.916 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.188 -10.240 7.156 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.674 -9.965 8.817 1.00 0.00 H new ATOM 0 HG SER A 29 9.575 -11.919 7.951 1.00 0.00 H new ATOM 452 N GLY A 30 4.863 -8.875 8.115 1.00 0.00 N ATOM 453 CA GLY A 30 4.332 -7.513 7.926 1.00 0.00 C ATOM 454 C GLY A 30 2.805 -7.416 7.749 1.00 0.00 C ATOM 455 O GLY A 30 2.118 -8.444 7.721 1.00 0.00 O ATOM 0 H GLY A 30 4.196 -9.611 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.620 -6.907 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.810 -7.073 7.051 1.00 0.00 H new ATOM 459 N PRO A 31 2.256 -6.186 7.645 1.00 0.00 N ATOM 460 CA PRO A 31 0.812 -5.930 7.595 1.00 0.00 C ATOM 461 C PRO A 31 0.162 -6.517 6.331 1.00 0.00 C ATOM 462 O PRO A 31 0.641 -6.298 5.218 1.00 0.00 O ATOM 463 CB PRO A 31 0.665 -4.403 7.672 1.00 0.00 C ATOM 464 CG PRO A 31 1.995 -3.873 7.137 1.00 0.00 C ATOM 465 CD PRO A 31 2.997 -4.932 7.588 1.00 0.00 C ATOM 0 HA PRO A 31 0.292 -6.419 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.174 -4.053 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.486 -4.071 8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.980 -3.768 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.233 -2.892 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.831 -5.003 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.417 -4.682 8.562 1.00 0.00 H new ATOM 473 N ASN A 32 -0.923 -7.282 6.508 1.00 0.00 N ATOM 474 CA ASN A 32 -1.543 -8.078 5.432 1.00 0.00 C ATOM 475 C ASN A 32 -3.053 -8.382 5.617 1.00 0.00 C ATOM 476 O ASN A 32 -3.597 -9.243 4.923 1.00 0.00 O ATOM 477 CB ASN A 32 -0.715 -9.369 5.266 1.00 0.00 C ATOM 478 CG ASN A 32 -0.878 -10.352 6.414 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.676 -11.276 6.359 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.133 -10.211 7.484 1.00 0.00 N ATOM 0 H ASN A 32 -1.401 -7.369 7.405 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.523 -7.474 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.005 -9.859 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.338 -9.105 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.223 -10.869 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.537 -9.444 7.542 1.00 0.00 H new ATOM 487 N LYS A 33 -3.733 -7.707 6.558 1.00 0.00 N ATOM 488 CA LYS A 33 -5.131 -7.985 6.972 1.00 0.00 C ATOM 489 C LYS A 33 -6.009 -6.724 7.001 1.00 0.00 C ATOM 490 O LYS A 33 -6.918 -6.585 7.823 1.00 0.00 O ATOM 491 CB LYS A 33 -5.139 -8.785 8.298 1.00 0.00 C ATOM 492 CG LYS A 33 -4.662 -10.239 8.137 1.00 0.00 C ATOM 493 CD LYS A 33 -5.689 -11.124 7.405 1.00 0.00 C ATOM 494 CE LYS A 33 -5.137 -12.513 7.052 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.184 -12.460 5.912 1.00 0.00 N ATOM 0 H LYS A 33 -3.319 -6.929 7.071 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.597 -8.612 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.501 -8.279 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.149 -8.785 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.721 -10.250 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.460 -10.662 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.574 -11.239 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.008 -10.622 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.637 -12.937 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.963 -13.179 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.992 -13.425 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.597 -11.899 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.295 -12.019 6.223 1.00 0.00 H new ATOM 509 N LYS A 34 -5.739 -5.811 6.064 1.00 0.00 N ATOM 510 CA LYS A 34 -6.552 -4.631 5.721 1.00 0.00 C ATOM 511 C LYS A 34 -6.665 -4.527 4.195 1.00 0.00 C ATOM 512 O LYS A 34 -5.865 -5.123 3.475 1.00 0.00 O ATOM 513 CB LYS A 34 -5.923 -3.358 6.321 1.00 0.00 C ATOM 514 CG LYS A 34 -5.803 -3.402 7.853 1.00 0.00 C ATOM 515 CD LYS A 34 -5.316 -2.058 8.415 1.00 0.00 C ATOM 516 CE LYS A 34 -4.905 -2.152 9.893 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.037 -2.517 10.787 1.00 0.00 N ATOM 0 H LYS A 34 -4.899 -5.875 5.489 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.552 -4.736 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.932 -3.213 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.524 -2.495 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.771 -3.651 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.110 -4.192 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.468 -1.708 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.106 -1.315 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.112 -2.893 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.491 -1.195 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.701 -2.566 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.785 -1.798 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.417 -3.443 10.505 1.00 0.00 H new ATOM 531 N GLU A 35 -7.641 -3.773 3.699 1.00 0.00 N ATOM 532 CA GLU A 35 -7.885 -3.558 2.261 1.00 0.00 C ATOM 533 C GLU A 35 -8.355 -2.116 1.993 1.00 0.00 C ATOM 534 O GLU A 35 -8.808 -1.428 2.911 1.00 0.00 O ATOM 535 CB GLU A 35 -8.929 -4.561 1.727 1.00 0.00 C ATOM 536 CG GLU A 35 -8.479 -6.027 1.835 1.00 0.00 C ATOM 537 CD GLU A 35 -9.420 -6.979 1.075 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.964 -7.607 0.089 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.605 -7.122 1.467 1.00 0.00 O ATOM 0 H GLU A 35 -8.306 -3.278 4.294 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.944 -3.720 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.860 -4.433 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.143 -4.330 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.468 -6.125 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.441 -6.318 2.885 1.00 0.00 H new ATOM 546 N SER A 36 -8.266 -1.654 0.741 1.00 0.00 N ATOM 547 CA SER A 36 -8.759 -0.335 0.304 1.00 0.00 C ATOM 548 C SER A 36 -10.265 -0.143 0.562 1.00 0.00 C ATOM 549 O SER A 36 -11.058 -1.065 0.356 1.00 0.00 O ATOM 550 CB SER A 36 -8.485 -0.143 -1.194 1.00 0.00 C ATOM 551 OG SER A 36 -7.101 -0.294 -1.474 1.00 0.00 O ATOM 0 H SER A 36 -7.842 -2.193 -0.014 1.00 0.00 H new ATOM 0 HA SER A 36 -8.223 0.408 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.059 -0.869 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.818 0.847 -1.506 1.00 0.00 H new ATOM 0 HG SER A 36 -6.946 -0.170 -2.434 1.00 0.00 H new ATOM 557 N ARG A 37 -10.665 1.074 0.966 1.00 0.00 N ATOM 558 CA ARG A 37 -12.053 1.473 1.311 1.00 0.00 C ATOM 559 C ARG A 37 -12.417 2.838 0.700 1.00 0.00 C ATOM 560 O ARG A 37 -11.563 3.524 0.134 1.00 0.00 O ATOM 561 CB ARG A 37 -12.228 1.527 2.849 1.00 0.00 C ATOM 562 CG ARG A 37 -11.849 0.265 3.641 1.00 0.00 C ATOM 563 CD ARG A 37 -12.703 -0.965 3.309 1.00 0.00 C ATOM 564 NE ARG A 37 -12.217 -2.155 4.037 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.612 -3.404 3.870 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.531 -3.735 3.005 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.088 -4.362 4.581 1.00 0.00 N ATOM 0 H ARG A 37 -10.006 1.846 1.068 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.725 0.723 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.631 2.357 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.271 1.760 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.802 0.029 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.937 0.478 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.743 -0.772 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.675 -1.153 2.236 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.500 -1.995 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.971 -3.018 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.809 -4.711 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.368 -4.149 5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.398 -5.325 4.447 1.00 0.00 H new ATOM 581 N GLY A 38 -13.677 3.252 0.851 1.00 0.00 N ATOM 582 CA GLY A 38 -14.180 4.572 0.444 1.00 0.00 C ATOM 583 C GLY A 38 -15.592 4.878 0.963 1.00 0.00 C ATOM 584 O GLY A 38 -16.242 4.020 1.568 1.00 0.00 O ATOM 0 H GLY A 38 -14.398 2.665 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.495 5.340 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.181 4.631 -0.644 1.00 0.00 H new ATOM 588 N ARG A 39 -16.065 6.110 0.721 1.00 0.00 N ATOM 589 CA ARG A 39 -17.360 6.649 1.208 1.00 0.00 C ATOM 590 C ARG A 39 -18.212 7.327 0.114 1.00 0.00 C ATOM 591 O ARG A 39 -19.212 7.978 0.421 1.00 0.00 O ATOM 592 CB ARG A 39 -17.103 7.592 2.406 1.00 0.00 C ATOM 593 CG ARG A 39 -16.629 6.842 3.663 1.00 0.00 C ATOM 594 CD ARG A 39 -16.472 7.805 4.846 1.00 0.00 C ATOM 595 NE ARG A 39 -16.173 7.081 6.098 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.998 7.614 7.295 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.031 8.902 7.495 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.786 6.852 8.330 1.00 0.00 N ATOM 0 H ARG A 39 -15.545 6.787 0.163 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.962 5.800 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.354 8.332 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -18.018 8.137 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.345 6.061 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.678 6.349 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.672 8.515 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.387 8.384 4.969 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.093 6.066 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.196 9.535 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.892 9.276 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.754 5.839 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.652 7.269 9.251 1.00 0.00 H new ATOM 612 N GLY A 40 -17.837 7.171 -1.160 1.00 0.00 N ATOM 613 CA GLY A 40 -18.517 7.787 -2.312 1.00 0.00 C ATOM 614 C GLY A 40 -18.185 7.158 -3.675 1.00 0.00 C ATOM 615 O GLY A 40 -18.311 7.810 -4.712 1.00 0.00 O ATOM 0 H GLY A 40 -17.035 6.601 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.594 7.727 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.258 8.845 -2.344 1.00 0.00 H new