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= 1.43 K(o=2.6,f=-3.6) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -177:sc= 1.18 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.0221 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 17.789 8.788 -3.397 1.00 0.00 N ATOM 20 CA VAL A 2 18.389 9.124 -2.078 1.00 0.00 C ATOM 21 C VAL A 2 18.190 7.999 -1.041 1.00 0.00 C ATOM 22 O VAL A 2 18.175 8.242 0.165 1.00 0.00 O ATOM 23 CB VAL A 2 17.868 10.484 -1.548 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.281 11.646 -2.460 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.341 10.525 -1.375 1.00 0.00 C ATOM 0 HA VAL A 2 19.463 9.220 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 2 18.330 10.595 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.896 12.582 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.368 11.695 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.872 11.488 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.043 11.505 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.861 10.342 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.035 9.757 -0.665 1.00 0.00 H new ATOM 35 N PHE A 3 17.973 6.763 -1.509 1.00 0.00 N ATOM 36 CA PHE A 3 17.557 5.590 -0.714 1.00 0.00 C ATOM 37 C PHE A 3 16.378 5.868 0.252 1.00 0.00 C ATOM 38 O PHE A 3 16.291 5.316 1.349 1.00 0.00 O ATOM 39 CB PHE A 3 18.793 4.939 -0.065 1.00 0.00 C ATOM 40 CG PHE A 3 18.599 3.484 0.333 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.595 3.104 1.690 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.423 2.501 -0.662 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.409 1.756 2.048 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.233 1.155 -0.305 1.00 0.00 C ATOM 45 CZ PHE A 3 18.225 0.781 1.051 1.00 0.00 C ATOM 0 H PHE A 3 18.087 6.538 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 3 17.125 4.853 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.630 5.005 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.068 5.512 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.735 3.850 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.434 2.784 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.408 1.470 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.093 0.408 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.078 -0.253 1.326 1.00 0.00 H new ATOM 55 N TYR A 4 15.456 6.739 -0.182 1.00 0.00 N ATOM 56 CA TYR A 4 14.172 7.063 0.462 1.00 0.00 C ATOM 57 C TYR A 4 14.256 7.537 1.930 1.00 0.00 C ATOM 58 O TYR A 4 13.283 7.419 2.675 1.00 0.00 O ATOM 59 CB TYR A 4 13.193 5.895 0.238 1.00 0.00 C ATOM 60 CG TYR A 4 13.108 5.451 -1.213 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.403 6.237 -2.145 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.790 4.294 -1.642 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.385 5.874 -3.506 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.777 3.929 -3.004 1.00 0.00 C ATOM 65 CZ TYR A 4 13.076 4.721 -3.939 1.00 0.00 C ATOM 66 OH TYR A 4 13.066 4.385 -5.260 1.00 0.00 O ATOM 0 H TYR A 4 15.593 7.268 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 4 13.785 7.957 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.501 5.049 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.201 6.191 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.875 7.120 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.323 3.686 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.843 6.478 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.303 3.044 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 4 13.589 3.567 -5.393 1.00 0.00 H new ATOM 76 N VAL A 5 15.396 8.107 2.352 1.00 0.00 N ATOM 77 CA VAL A 5 15.643 8.556 3.740 1.00 0.00 C ATOM 78 C VAL A 5 14.555 9.477 4.312 1.00 0.00 C ATOM 79 O VAL A 5 14.189 9.331 5.477 1.00 0.00 O ATOM 80 CB VAL A 5 17.031 9.213 3.903 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.145 8.175 3.733 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.284 10.384 2.941 1.00 0.00 C ATOM 0 H VAL A 5 16.188 8.274 1.731 1.00 0.00 H new ATOM 0 HA VAL A 5 15.613 7.637 4.326 1.00 0.00 H new ATOM 0 HB VAL A 5 17.039 9.622 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.114 8.659 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.034 7.395 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.080 7.731 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.279 10.792 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.214 10.031 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.538 11.161 3.110 1.00 0.00 H new ATOM 92 N ALA A 6 13.992 10.383 3.503 1.00 0.00 N ATOM 93 CA ALA A 6 12.888 11.255 3.912 1.00 0.00 C ATOM 94 C ALA A 6 11.573 10.475 4.111 1.00 0.00 C ATOM 95 O ALA A 6 10.919 10.616 5.145 1.00 0.00 O ATOM 96 CB ALA A 6 12.730 12.364 2.864 1.00 0.00 C ATOM 0 H ALA A 6 14.293 10.531 2.540 1.00 0.00 H new ATOM 0 HA ALA A 6 13.123 11.695 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.911 13.023 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.654 12.939 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.512 11.919 1.893 1.00 0.00 H new ATOM 102 N LEU A 7 11.217 9.598 3.166 1.00 0.00 N ATOM 103 CA LEU A 7 10.031 8.732 3.233 1.00 0.00 C ATOM 104 C LEU A 7 10.057 7.868 4.510 1.00 0.00 C ATOM 105 O LEU A 7 9.076 7.790 5.248 1.00 0.00 O ATOM 106 CB LEU A 7 9.986 7.880 1.945 1.00 0.00 C ATOM 107 CG LEU A 7 8.583 7.486 1.446 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.726 6.713 0.132 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.795 6.611 2.422 1.00 0.00 C ATOM 0 H LEU A 7 11.758 9.466 2.311 1.00 0.00 H new ATOM 0 HA LEU A 7 9.122 9.330 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.491 8.430 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.559 6.968 2.116 1.00 0.00 H new ATOM 0 HG LEU A 7 8.029 8.417 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.739 6.428 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.218 7.343 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.323 5.817 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.819 6.378 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.342 5.686 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.662 7.145 3.363 1.00 0.00 H new ATOM 121 N THR A 8 11.216 7.285 4.821 1.00 0.00 N ATOM 122 CA THR A 8 11.454 6.467 6.023 1.00 0.00 C ATOM 123 C THR A 8 11.413 7.263 7.344 1.00 0.00 C ATOM 124 O THR A 8 11.219 6.659 8.400 1.00 0.00 O ATOM 125 CB THR A 8 12.781 5.696 5.858 1.00 0.00 C ATOM 126 OG1 THR A 8 12.706 4.918 4.678 1.00 0.00 O ATOM 127 CG2 THR A 8 13.101 4.706 6.981 1.00 0.00 C ATOM 0 H THR A 8 12.043 7.368 4.229 1.00 0.00 H new ATOM 0 HA THR A 8 10.626 5.762 6.105 1.00 0.00 H new ATOM 0 HB THR A 8 13.555 6.463 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.855 5.492 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.052 4.215 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.168 5.240 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.312 3.957 7.041 1.00 0.00 H new ATOM 135 N ALA A 9 11.522 8.600 7.318 1.00 0.00 N ATOM 136 CA ALA A 9 11.678 9.435 8.518 1.00 0.00 C ATOM 137 C ALA A 9 10.558 10.481 8.699 1.00 0.00 C ATOM 138 O ALA A 9 9.730 10.327 9.598 1.00 0.00 O ATOM 139 CB ALA A 9 13.072 10.075 8.487 1.00 0.00 C ATOM 0 H ALA A 9 11.504 9.138 6.452 1.00 0.00 H new ATOM 0 HA ALA A 9 11.585 8.793 9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.206 10.699 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.831 9.293 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.171 10.689 7.591 1.00 0.00 H new ATOM 145 N VAL A 10 10.474 11.512 7.846 1.00 0.00 N ATOM 146 CA VAL A 10 9.418 12.551 7.924 1.00 0.00 C ATOM 147 C VAL A 10 8.033 12.055 7.479 1.00 0.00 C ATOM 148 O VAL A 10 7.029 12.703 7.777 1.00 0.00 O ATOM 149 CB VAL A 10 9.791 13.852 7.182 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.940 14.572 7.897 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.183 13.650 5.715 1.00 0.00 C ATOM 0 H VAL A 10 11.132 11.656 7.080 1.00 0.00 H new ATOM 0 HA VAL A 10 9.350 12.784 8.987 1.00 0.00 H new ATOM 0 HB VAL A 10 8.882 14.453 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.188 15.487 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.637 14.821 8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.814 13.921 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.430 14.613 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.049 12.991 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.349 13.202 5.174 1.00 0.00 H new ATOM 180 N VAL A 12 7.597 8.474 8.151 1.00 0.00 N ATOM 181 CA VAL A 12 7.676 7.264 9.004 1.00 0.00 C ATOM 182 C VAL A 12 7.501 5.907 8.286 1.00 0.00 C ATOM 183 O VAL A 12 6.909 4.971 8.827 1.00 0.00 O ATOM 184 CB VAL A 12 6.784 7.400 10.264 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.225 8.591 11.127 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.286 7.558 9.965 1.00 0.00 C ATOM 0 HA VAL A 12 8.718 7.228 9.323 1.00 0.00 H new ATOM 0 HB VAL A 12 6.918 6.458 10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.582 8.663 12.004 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.258 8.447 11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.149 9.510 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.735 7.647 10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.127 8.454 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.931 6.686 9.416 1.00 0.00 H new ATOM 196 N ALA A 13 8.022 5.792 7.057 1.00 0.00 N ATOM 197 CA ALA A 13 7.905 4.624 6.175 1.00 0.00 C ATOM 198 C ALA A 13 6.449 4.192 5.870 1.00 0.00 C ATOM 199 O ALA A 13 6.181 3.010 5.651 1.00 0.00 O ATOM 200 CB ALA A 13 8.792 3.482 6.707 1.00 0.00 C ATOM 0 H ALA A 13 8.561 6.546 6.631 1.00 0.00 H new ATOM 0 HA ALA A 13 8.278 4.918 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.703 2.616 6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.831 3.811 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.470 3.210 7.712 1.00 0.00 H new ATOM 206 N VAL A 14 5.499 5.141 5.837 1.00 0.00 N ATOM 207 CA VAL A 14 4.055 4.904 5.610 1.00 0.00 C ATOM 208 C VAL A 14 3.728 4.060 4.367 1.00 0.00 C ATOM 209 O VAL A 14 2.729 3.340 4.360 1.00 0.00 O ATOM 210 CB VAL A 14 3.282 6.242 5.620 1.00 0.00 C ATOM 211 CG1 VAL A 14 3.594 7.128 4.405 1.00 0.00 C ATOM 212 CG2 VAL A 14 1.765 6.043 5.714 1.00 0.00 C ATOM 0 H VAL A 14 5.717 6.128 5.971 1.00 0.00 H new ATOM 0 HA VAL A 14 3.717 4.290 6.445 1.00 0.00 H new ATOM 0 HB VAL A 14 3.631 6.753 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.020 8.052 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.658 7.362 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.326 6.599 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.270 7.014 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.420 5.463 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.524 5.510 6.634 1.00 0.00 H new ATOM 222 N ALA A 15 4.593 4.068 3.347 1.00 0.00 N ATOM 223 CA ALA A 15 4.487 3.202 2.168 1.00 0.00 C ATOM 224 C ALA A 15 4.410 1.693 2.498 1.00 0.00 C ATOM 225 O ALA A 15 3.766 0.945 1.761 1.00 0.00 O ATOM 226 CB ALA A 15 5.658 3.513 1.228 1.00 0.00 C ATOM 0 H ALA A 15 5.402 4.689 3.317 1.00 0.00 H new ATOM 0 HA ALA A 15 3.538 3.422 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.595 2.877 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.614 4.559 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.599 3.324 1.744 1.00 0.00 H new ATOM 232 N LEU A 16 5.002 1.237 3.611 1.00 0.00 N ATOM 233 CA LEU A 16 4.875 -0.143 4.104 1.00 0.00 C ATOM 234 C LEU A 16 3.430 -0.474 4.517 1.00 0.00 C ATOM 235 O LEU A 16 2.874 -1.489 4.097 1.00 0.00 O ATOM 236 CB LEU A 16 5.853 -0.329 5.282 1.00 0.00 C ATOM 237 CG LEU A 16 5.798 -1.704 5.978 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.101 -2.863 5.025 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.818 -1.738 7.115 1.00 0.00 C ATOM 0 H LEU A 16 5.591 1.824 4.202 1.00 0.00 H new ATOM 0 HA LEU A 16 5.127 -0.837 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.868 -0.165 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.652 0.443 6.024 1.00 0.00 H new ATOM 0 HG LEU A 16 4.781 -1.831 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.048 -3.806 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.370 -2.870 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.101 -2.740 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.781 -2.709 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.817 -1.574 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.585 -0.955 7.837 1.00 0.00 H new ATOM 251 N TYR A 17 2.802 0.399 5.308 1.00 0.00 N ATOM 252 CA TYR A 17 1.409 0.239 5.738 1.00 0.00 C ATOM 253 C TYR A 17 0.420 0.431 4.577 1.00 0.00 C ATOM 254 O TYR A 17 -0.591 -0.272 4.511 1.00 0.00 O ATOM 255 CB TYR A 17 1.114 1.204 6.897 1.00 0.00 C ATOM 256 CG TYR A 17 2.055 1.050 8.082 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.143 -0.182 8.760 1.00 0.00 C ATOM 258 CD2 TYR A 17 2.860 2.131 8.493 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.047 -0.341 9.829 1.00 0.00 C ATOM 260 CE2 TYR A 17 3.767 1.978 9.560 1.00 0.00 C ATOM 261 CZ TYR A 17 3.864 0.739 10.230 1.00 0.00 C ATOM 262 OH TYR A 17 4.736 0.577 11.264 1.00 0.00 O ATOM 0 H TYR A 17 3.247 1.242 5.671 1.00 0.00 H new ATOM 0 HA TYR A 17 1.273 -0.784 6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.174 2.228 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.090 1.047 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.515 -1.008 8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.781 3.082 7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.115 -1.289 10.342 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.388 2.808 9.865 1.00 0.00 H new ATOM 0 HH TYR A 17 5.224 1.413 11.414 1.00 0.00 H new ATOM 272 N ALA A 18 0.737 1.314 3.622 1.00 0.00 N ATOM 273 CA ALA A 18 -0.001 1.449 2.367 1.00 0.00 C ATOM 274 C ALA A 18 0.077 0.170 1.511 1.00 0.00 C ATOM 275 O ALA A 18 -0.956 -0.331 1.077 1.00 0.00 O ATOM 276 CB ALA A 18 0.515 2.675 1.607 1.00 0.00 C ATOM 0 H ALA A 18 1.522 1.960 3.703 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.057 1.593 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.033 2.779 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.368 3.568 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.577 2.551 1.395 1.00 0.00 H new ATOM 282 N TYR A 19 1.261 -0.428 1.325 1.00 0.00 N ATOM 283 CA TYR A 19 1.400 -1.736 0.662 1.00 0.00 C ATOM 284 C TYR A 19 0.596 -2.829 1.387 1.00 0.00 C ATOM 285 O TYR A 19 -0.073 -3.641 0.749 1.00 0.00 O ATOM 286 CB TYR A 19 2.885 -2.110 0.552 1.00 0.00 C ATOM 287 CG TYR A 19 3.152 -3.315 -0.332 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.189 -4.612 0.219 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.361 -3.134 -1.714 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.431 -5.725 -0.611 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.608 -4.243 -2.546 1.00 0.00 C ATOM 292 CZ TYR A 19 3.640 -5.544 -1.995 1.00 0.00 C ATOM 293 OH TYR A 19 3.869 -6.622 -2.792 1.00 0.00 O ATOM 0 H TYR A 19 2.147 -0.023 1.627 1.00 0.00 H new ATOM 0 HA TYR A 19 0.986 -1.658 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.437 -1.255 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.274 -2.311 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.032 -4.753 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.332 -2.141 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.457 -6.718 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.773 -4.099 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 19 3.991 -6.324 -3.718 1.00 0.00 H new ATOM 303 N GLY A 20 0.558 -2.779 2.723 1.00 0.00 N ATOM 304 CA GLY A 20 -0.258 -3.636 3.590 1.00 0.00 C ATOM 305 C GLY A 20 -1.785 -3.489 3.468 1.00 0.00 C ATOM 306 O GLY A 20 -2.502 -4.194 4.184 1.00 0.00 O ATOM 0 H GLY A 20 1.119 -2.112 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.001 -4.674 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.021 -3.437 4.625 1.00 0.00 H new ATOM 310 N LEU A 21 -2.297 -2.627 2.574 1.00 0.00 N ATOM 311 CA LEU A 21 -3.731 -2.526 2.245 1.00 0.00 C ATOM 312 C LEU A 21 -4.033 -2.347 0.742 1.00 0.00 C ATOM 313 O LEU A 21 -5.088 -2.774 0.275 1.00 0.00 O ATOM 314 CB LEU A 21 -4.385 -1.447 3.138 1.00 0.00 C ATOM 315 CG LEU A 21 -4.136 0.025 2.751 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.224 0.571 1.822 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.129 0.906 4.002 1.00 0.00 C ATOM 0 H LEU A 21 -1.718 -1.970 2.051 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.188 -3.490 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.461 -1.619 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.033 -1.593 4.159 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.174 0.050 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.005 1.610 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.251 -0.020 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.192 0.511 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.952 1.943 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.092 0.828 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.338 0.576 4.675 1.00 0.00 H new ATOM 342 N PHE A 23 -1.983 -3.781 -1.568 1.00 0.00 N ATOM 343 CA PHE A 23 -1.399 -4.996 -2.158 1.00 0.00 C ATOM 344 C PHE A 23 -1.596 -6.233 -1.267 1.00 0.00 C ATOM 345 O PHE A 23 -2.145 -7.232 -1.737 1.00 0.00 O ATOM 346 CB PHE A 23 0.098 -4.756 -2.443 1.00 0.00 C ATOM 347 CG PHE A 23 0.480 -4.839 -3.907 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.511 -6.090 -4.555 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.836 -3.678 -4.618 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.906 -6.179 -5.902 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.231 -3.767 -5.966 1.00 0.00 C ATOM 352 CZ PHE A 23 1.269 -5.017 -6.606 1.00 0.00 C ATOM 0 HA PHE A 23 -1.922 -5.203 -3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.374 -3.772 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.683 -5.488 -1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.231 -6.983 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.806 -2.716 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.931 -7.139 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.505 -2.874 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.577 -5.086 -7.639 1.00 0.00 H new ATOM 362 N ARG A 24 -1.198 -6.161 0.017 1.00 0.00 N ATOM 363 CA ARG A 24 -1.251 -7.237 1.038 1.00 0.00 C ATOM 364 C ARG A 24 -0.873 -8.645 0.531 1.00 0.00 C ATOM 365 O ARG A 24 -1.475 -9.648 0.914 1.00 0.00 O ATOM 366 CB ARG A 24 -2.553 -7.137 1.872 1.00 0.00 C ATOM 367 CG ARG A 24 -3.899 -7.025 1.136 1.00 0.00 C ATOM 368 CD ARG A 24 -4.362 -8.315 0.450 1.00 0.00 C ATOM 369 NE ARG A 24 -5.667 -8.116 -0.211 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.887 -7.796 -1.474 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.924 -7.623 -2.337 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.106 -7.634 -1.893 1.00 0.00 N ATOM 0 H ARG A 24 -0.806 -5.300 0.398 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.433 -7.058 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.601 -8.016 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.461 -6.269 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.663 -6.714 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.823 -6.238 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.621 -8.628 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.440 -9.116 1.185 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.493 -8.240 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.953 -7.734 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.142 -7.376 -3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.887 -7.754 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.282 -7.387 -2.867 1.00 0.00 H new ATOM 386 N LEU A 25 0.131 -8.702 -0.350 1.00 0.00 N ATOM 387 CA LEU A 25 0.575 -9.900 -1.081 1.00 0.00 C ATOM 388 C LEU A 25 1.136 -11.023 -0.182 1.00 0.00 C ATOM 389 O LEU A 25 1.005 -12.204 -0.511 1.00 0.00 O ATOM 390 CB LEU A 25 1.634 -9.440 -2.107 1.00 0.00 C ATOM 391 CG LEU A 25 2.187 -10.534 -3.042 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.095 -11.184 -3.896 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.223 -9.926 -3.987 1.00 0.00 C ATOM 0 H LEU A 25 0.684 -7.878 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.294 -10.347 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.199 -8.651 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.469 -8.997 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 25 2.629 -11.299 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.539 -11.947 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.350 -11.644 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.617 -10.425 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.613 -10.701 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.756 -9.142 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.041 -9.500 -3.405 1.00 0.00 H new ATOM 424 N GLY A 27 2.571 -11.913 4.283 1.00 0.00 N ATOM 425 CA GLY A 27 2.223 -11.606 5.680 1.00 0.00 C ATOM 426 C GLY A 27 2.985 -12.347 6.783 1.00 0.00 C ATOM 427 O GLY A 27 2.705 -12.116 7.960 1.00 0.00 O ATOM 0 HA2 GLY A 27 2.366 -10.536 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.160 -11.808 5.813 1.00 0.00 H new ATOM 431 N ALA A 28 3.958 -13.203 6.450 1.00 0.00 N ATOM 432 CA ALA A 28 4.792 -13.889 7.448 1.00 0.00 C ATOM 433 C ALA A 28 5.679 -12.929 8.280 1.00 0.00 C ATOM 434 O ALA A 28 6.057 -13.264 9.407 1.00 0.00 O ATOM 435 CB ALA A 28 5.639 -14.946 6.725 1.00 0.00 C ATOM 0 H ALA A 28 4.190 -13.440 5.485 1.00 0.00 H new ATOM 0 HA ALA A 28 4.131 -14.361 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.266 -15.467 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.983 -15.662 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.271 -14.460 5.981 1.00 0.00 H new ATOM 441 N SER A 29 5.974 -11.735 7.743 1.00 0.00 N ATOM 442 CA SER A 29 6.898 -10.739 8.322 1.00 0.00 C ATOM 443 C SER A 29 6.437 -9.277 8.121 1.00 0.00 C ATOM 444 O SER A 29 7.258 -8.359 8.187 1.00 0.00 O ATOM 445 CB SER A 29 8.310 -10.933 7.734 1.00 0.00 C ATOM 446 OG SER A 29 8.796 -12.253 7.936 1.00 0.00 O ATOM 0 H SER A 29 5.563 -11.423 6.863 1.00 0.00 H new ATOM 0 HA SER A 29 6.908 -10.912 9.398 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.291 -10.713 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.995 -10.221 8.194 1.00 0.00 H new ATOM 0 HG SER A 29 9.692 -12.335 7.548 1.00 0.00 H new ATOM 452 N GLY A 30 5.146 -9.029 7.852 1.00 0.00 N ATOM 453 CA GLY A 30 4.625 -7.677 7.577 1.00 0.00 C ATOM 454 C GLY A 30 3.089 -7.541 7.545 1.00 0.00 C ATOM 455 O GLY A 30 2.374 -8.547 7.622 1.00 0.00 O ATOM 0 H GLY A 30 4.433 -9.758 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.015 -6.997 8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.020 -7.345 6.617 1.00 0.00 H new ATOM 459 N PRO A 31 2.565 -6.302 7.441 1.00 0.00 N ATOM 460 CA PRO A 31 1.128 -6.008 7.502 1.00 0.00 C ATOM 461 C PRO A 31 0.373 -6.547 6.276 1.00 0.00 C ATOM 462 O PRO A 31 0.813 -6.373 5.137 1.00 0.00 O ATOM 463 CB PRO A 31 1.034 -4.480 7.614 1.00 0.00 C ATOM 464 CG PRO A 31 2.313 -3.982 6.941 1.00 0.00 C ATOM 465 CD PRO A 31 3.329 -5.070 7.286 1.00 0.00 C ATOM 0 HA PRO A 31 0.655 -6.501 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.144 -4.097 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.979 -4.158 8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.187 -3.875 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.618 -3.008 7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.075 -5.171 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.865 -4.826 8.203 1.00 0.00 H new ATOM 473 N ASN A 32 -0.763 -7.220 6.508 1.00 0.00 N ATOM 474 CA ASN A 32 -1.461 -8.008 5.475 1.00 0.00 C ATOM 475 C ASN A 32 -2.987 -8.194 5.694 1.00 0.00 C ATOM 476 O ASN A 32 -3.593 -9.069 5.070 1.00 0.00 O ATOM 477 CB ASN A 32 -0.728 -9.361 5.347 1.00 0.00 C ATOM 478 CG ASN A 32 -0.886 -10.259 6.565 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.753 -11.116 6.626 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.059 -10.112 7.573 1.00 0.00 N ATOM 0 H ASN A 32 -1.226 -7.235 7.417 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.418 -7.442 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.103 -9.886 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.333 -9.175 5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.145 -10.710 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.670 -9.400 7.535 1.00 0.00 H new ATOM 487 N LYS A 33 -3.617 -7.410 6.584 1.00 0.00 N ATOM 488 CA LYS A 33 -4.998 -7.628 7.084 1.00 0.00 C ATOM 489 C LYS A 33 -5.899 -6.382 6.989 1.00 0.00 C ATOM 490 O LYS A 33 -6.816 -6.197 7.792 1.00 0.00 O ATOM 491 CB LYS A 33 -4.939 -8.240 8.505 1.00 0.00 C ATOM 492 CG LYS A 33 -4.498 -9.714 8.527 1.00 0.00 C ATOM 493 CD LYS A 33 -5.589 -10.665 7.998 1.00 0.00 C ATOM 494 CE LYS A 33 -5.137 -12.130 7.982 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.232 -12.426 6.840 1.00 0.00 N ATOM 0 H LYS A 33 -3.175 -6.585 6.990 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.487 -8.343 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.250 -7.655 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.923 -8.158 8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.597 -9.829 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.238 -9.997 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.480 -10.570 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.870 -10.364 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.627 -12.361 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.012 -12.778 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.993 -13.438 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.708 -12.183 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.362 -11.864 6.932 1.00 0.00 H new ATOM 509 N LYS A 34 -5.656 -5.538 5.981 1.00 0.00 N ATOM 510 CA LYS A 34 -6.485 -4.377 5.600 1.00 0.00 C ATOM 511 C LYS A 34 -6.658 -4.320 4.077 1.00 0.00 C ATOM 512 O LYS A 34 -5.916 -4.974 3.346 1.00 0.00 O ATOM 513 CB LYS A 34 -5.852 -3.079 6.139 1.00 0.00 C ATOM 514 CG LYS A 34 -5.707 -3.060 7.670 1.00 0.00 C ATOM 515 CD LYS A 34 -5.284 -1.673 8.178 1.00 0.00 C ATOM 516 CE LYS A 34 -4.830 -1.697 9.647 1.00 0.00 C ATOM 517 NZ LYS A 34 -5.898 -2.155 10.578 1.00 0.00 N ATOM 0 H LYS A 34 -4.841 -5.646 5.378 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.475 -4.484 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.869 -2.948 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.461 -2.230 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.654 -3.344 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.969 -3.801 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.473 -1.294 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.119 -0.980 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.965 -2.353 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.506 -0.698 9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.535 -2.151 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.715 -1.515 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.191 -3.119 10.322 1.00 0.00 H new ATOM 531 N GLU A 35 -7.620 -3.534 3.596 1.00 0.00 N ATOM 532 CA GLU A 35 -7.905 -3.319 2.164 1.00 0.00 C ATOM 533 C GLU A 35 -8.383 -1.876 1.905 1.00 0.00 C ATOM 534 O GLU A 35 -8.842 -1.196 2.826 1.00 0.00 O ATOM 535 CB GLU A 35 -8.968 -4.317 1.655 1.00 0.00 C ATOM 536 CG GLU A 35 -8.522 -5.786 1.738 1.00 0.00 C ATOM 537 CD GLU A 35 -9.491 -6.736 1.012 1.00 0.00 C ATOM 538 OE1 GLU A 35 -9.038 -7.457 0.089 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.692 -6.792 1.373 1.00 0.00 O ATOM 0 H GLU A 35 -8.247 -3.009 4.206 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.976 -3.485 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.881 -4.190 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.213 -4.078 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.527 -5.886 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.445 -6.081 2.785 1.00 0.00 H new ATOM 546 N SER A 36 -8.294 -1.404 0.655 1.00 0.00 N ATOM 547 CA SER A 36 -8.790 -0.078 0.229 1.00 0.00 C ATOM 548 C SER A 36 -10.317 0.061 0.378 1.00 0.00 C ATOM 549 O SER A 36 -11.052 -0.915 0.195 1.00 0.00 O ATOM 550 CB SER A 36 -8.411 0.203 -1.233 1.00 0.00 C ATOM 551 OG SER A 36 -7.005 0.157 -1.425 1.00 0.00 O ATOM 0 H SER A 36 -7.870 -1.937 -0.104 1.00 0.00 H new ATOM 0 HA SER A 36 -8.314 0.648 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.892 -0.529 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.787 1.183 -1.525 1.00 0.00 H new ATOM 0 HG SER A 36 -6.797 0.338 -2.365 1.00 0.00 H new ATOM 557 N ARG A 37 -10.805 1.280 0.665 1.00 0.00 N ATOM 558 CA ARG A 37 -12.225 1.606 0.957 1.00 0.00 C ATOM 559 C ARG A 37 -12.675 2.924 0.299 1.00 0.00 C ATOM 560 O ARG A 37 -11.854 3.678 -0.230 1.00 0.00 O ATOM 561 CB ARG A 37 -12.439 1.693 2.489 1.00 0.00 C ATOM 562 CG ARG A 37 -12.038 0.454 3.308 1.00 0.00 C ATOM 563 CD ARG A 37 -12.866 -0.795 2.981 1.00 0.00 C ATOM 564 NE ARG A 37 -12.317 -1.986 3.658 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.685 -3.241 3.470 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.638 -3.570 2.643 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.098 -4.204 4.120 1.00 0.00 N ATOM 0 H ARG A 37 -10.203 2.103 0.703 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.832 0.805 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.876 2.547 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.493 1.899 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.985 0.237 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.143 0.681 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.900 -0.641 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.876 -0.957 1.903 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.577 -1.824 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.127 -2.847 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.894 -4.550 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.349 -3.992 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.387 -5.171 3.970 1.00 0.00 H new ATOM 581 N GLY A 38 -13.977 3.215 0.367 1.00 0.00 N ATOM 582 CA GLY A 38 -14.599 4.458 -0.114 1.00 0.00 C ATOM 583 C GLY A 38 -16.089 4.577 0.250 1.00 0.00 C ATOM 584 O GLY A 38 -16.666 3.662 0.846 1.00 0.00 O ATOM 0 H GLY A 38 -14.654 2.569 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.062 5.309 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.492 4.513 -1.197 1.00 0.00 H new ATOM 588 N ARG A 39 -16.713 5.709 -0.113 1.00 0.00 N ATOM 589 CA ARG A 39 -18.118 6.069 0.211 1.00 0.00 C ATOM 590 C ARG A 39 -18.938 6.576 -0.996 1.00 0.00 C ATOM 591 O ARG A 39 -20.060 7.057 -0.819 1.00 0.00 O ATOM 592 CB ARG A 39 -18.130 7.102 1.360 1.00 0.00 C ATOM 593 CG ARG A 39 -17.689 6.524 2.714 1.00 0.00 C ATOM 594 CD ARG A 39 -17.778 7.605 3.799 1.00 0.00 C ATOM 595 NE ARG A 39 -17.478 7.062 5.139 1.00 0.00 N ATOM 596 CZ ARG A 39 -17.125 7.750 6.212 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.959 9.044 6.186 1.00 0.00 N ATOM 598 NH2 ARG A 39 -16.927 7.144 7.348 1.00 0.00 N ATOM 0 H ARG A 39 -16.243 6.430 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 39 -18.614 5.150 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.474 7.932 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -19.136 7.510 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.321 5.677 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.667 6.150 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.080 8.410 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.778 8.040 3.798 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.551 6.051 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -17.102 9.559 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.686 9.540 7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.044 6.133 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.655 7.681 8.172 1.00 0.00 H new ATOM 612 N GLY A 40 -18.404 6.466 -2.217 1.00 0.00 N ATOM 613 CA GLY A 40 -18.994 7.020 -3.451 1.00 0.00 C ATOM 614 C GLY A 40 -18.864 6.117 -4.686 1.00 0.00 C ATOM 615 O GLY A 40 -18.927 6.594 -5.820 1.00 0.00 O ATOM 0 H GLY A 40 -17.525 5.976 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.051 7.220 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.520 7.977 -3.666 1.00 0.00 H new