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= 1.3 K(o=2.5,f=-4.8!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -173:sc= 1.23 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.119 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 18.750 6.865 -2.737 1.00 0.00 N ATOM 20 CA VAL A 2 19.378 7.312 -1.466 1.00 0.00 C ATOM 21 C VAL A 2 19.072 6.348 -0.301 1.00 0.00 C ATOM 22 O VAL A 2 19.023 6.744 0.864 1.00 0.00 O ATOM 23 CB VAL A 2 18.998 8.775 -1.124 1.00 0.00 C ATOM 24 CG1 VAL A 2 19.555 9.758 -2.161 1.00 0.00 C ATOM 25 CG2 VAL A 2 17.483 8.998 -1.007 1.00 0.00 C ATOM 0 HA VAL A 2 20.457 7.289 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 2 19.447 8.963 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.269 10.774 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 2 20.642 9.682 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.150 9.518 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.287 10.043 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.004 8.748 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.081 8.362 -0.218 1.00 0.00 H new ATOM 35 N PHE A 3 18.802 5.076 -0.623 1.00 0.00 N ATOM 36 CA PHE A 3 18.327 4.018 0.289 1.00 0.00 C ATOM 37 C PHE A 3 17.127 4.424 1.180 1.00 0.00 C ATOM 38 O PHE A 3 16.946 3.914 2.288 1.00 0.00 O ATOM 39 CB PHE A 3 19.526 3.423 1.054 1.00 0.00 C ATOM 40 CG PHE A 3 19.364 1.955 1.410 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.116 1.555 2.737 1.00 0.00 C ATOM 42 CD2 PHE A 3 19.469 0.978 0.398 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.968 0.190 3.048 1.00 0.00 C ATOM 44 CE2 PHE A 3 19.318 -0.385 0.709 1.00 0.00 C ATOM 45 CZ PHE A 3 19.069 -0.780 2.035 1.00 0.00 C ATOM 0 H PHE A 3 18.914 4.735 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 3 17.892 3.224 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.425 3.543 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.679 3.994 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.039 2.297 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.666 1.278 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.776 -0.113 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.393 -1.128 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.955 -1.827 2.275 1.00 0.00 H new ATOM 55 N TYR A 4 16.298 5.352 0.679 1.00 0.00 N ATOM 56 CA TYR A 4 15.050 5.855 1.281 1.00 0.00 C ATOM 57 C TYR A 4 15.174 6.409 2.716 1.00 0.00 C ATOM 58 O TYR A 4 14.174 6.496 3.429 1.00 0.00 O ATOM 59 CB TYR A 4 13.951 4.783 1.136 1.00 0.00 C ATOM 60 CG TYR A 4 13.863 4.171 -0.252 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.297 4.906 -1.312 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.398 2.889 -0.494 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.270 4.364 -2.612 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.374 2.344 -1.793 1.00 0.00 C ATOM 65 CZ TYR A 4 13.811 3.083 -2.857 1.00 0.00 C ATOM 66 OH TYR A 4 13.789 2.572 -4.119 1.00 0.00 O ATOM 0 H TYR A 4 16.492 5.802 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 4 14.768 6.745 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.134 3.990 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.988 5.228 1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.883 5.886 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.828 2.323 0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.835 4.929 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.786 1.362 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 4 14.201 1.683 -4.119 1.00 0.00 H new ATOM 76 N VAL A 5 16.380 6.803 3.154 1.00 0.00 N ATOM 77 CA VAL A 5 16.692 7.145 4.560 1.00 0.00 C ATOM 78 C VAL A 5 15.761 8.188 5.197 1.00 0.00 C ATOM 79 O VAL A 5 15.403 8.045 6.367 1.00 0.00 O ATOM 80 CB VAL A 5 18.165 7.570 4.742 1.00 0.00 C ATOM 81 CG1 VAL A 5 19.110 6.396 4.461 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.582 8.764 3.868 1.00 0.00 C ATOM 0 H VAL A 5 17.184 6.896 2.533 1.00 0.00 H new ATOM 0 HA VAL A 5 16.515 6.213 5.098 1.00 0.00 H new ATOM 0 HB VAL A 5 18.244 7.886 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 5 20.142 6.719 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.892 5.581 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.968 6.052 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.630 9.002 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 5 18.448 8.510 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.965 9.628 4.114 1.00 0.00 H new ATOM 92 N ALA A 6 15.320 9.203 4.443 1.00 0.00 N ATOM 93 CA ALA A 6 14.362 10.202 4.922 1.00 0.00 C ATOM 94 C ALA A 6 12.947 9.615 5.097 1.00 0.00 C ATOM 95 O ALA A 6 12.323 9.810 6.140 1.00 0.00 O ATOM 96 CB ALA A 6 14.362 11.388 3.949 1.00 0.00 C ATOM 0 H ALA A 6 15.620 9.353 3.480 1.00 0.00 H new ATOM 0 HA ALA A 6 14.670 10.540 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.653 12.141 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.360 11.823 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.073 11.044 2.956 1.00 0.00 H new ATOM 102 N LEU A 7 12.459 8.844 4.120 1.00 0.00 N ATOM 103 CA LEU A 7 11.155 8.166 4.169 1.00 0.00 C ATOM 104 C LEU A 7 11.087 7.199 5.367 1.00 0.00 C ATOM 105 O LEU A 7 10.122 7.205 6.128 1.00 0.00 O ATOM 106 CB LEU A 7 10.925 7.468 2.809 1.00 0.00 C ATOM 107 CG LEU A 7 9.460 7.178 2.423 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.421 6.675 0.978 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.775 6.120 3.290 1.00 0.00 C ATOM 0 H LEU A 7 12.968 8.669 3.254 1.00 0.00 H new ATOM 0 HA LEU A 7 10.350 8.883 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.367 8.087 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.470 6.524 2.814 1.00 0.00 H new ATOM 0 HG LEU A 7 8.923 8.116 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.390 6.466 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.833 7.437 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.012 5.763 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.749 5.979 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.317 5.178 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.770 6.449 4.329 1.00 0.00 H new ATOM 121 N THR A 8 12.154 6.435 5.605 1.00 0.00 N ATOM 122 CA THR A 8 12.298 5.532 6.762 1.00 0.00 C ATOM 123 C THR A 8 12.307 6.261 8.123 1.00 0.00 C ATOM 124 O THR A 8 12.030 5.633 9.145 1.00 0.00 O ATOM 125 CB THR A 8 13.556 4.655 6.591 1.00 0.00 C ATOM 126 OG1 THR A 8 13.527 4.041 5.318 1.00 0.00 O ATOM 127 CG2 THR A 8 13.666 3.504 7.593 1.00 0.00 C ATOM 0 H THR A 8 12.965 6.422 4.987 1.00 0.00 H new ATOM 0 HA THR A 8 11.411 4.899 6.779 1.00 0.00 H new ATOM 0 HB THR A 8 14.395 5.334 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.839 4.677 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.579 2.940 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.694 3.905 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.804 2.846 7.487 1.00 0.00 H new ATOM 135 N ALA A 9 12.553 7.580 8.162 1.00 0.00 N ATOM 136 CA ALA A 9 12.738 8.354 9.395 1.00 0.00 C ATOM 137 C ALA A 9 11.643 9.416 9.624 1.00 0.00 C ATOM 138 O ALA A 9 10.804 9.241 10.510 1.00 0.00 O ATOM 139 CB ALA A 9 14.148 8.963 9.372 1.00 0.00 C ATOM 0 H ALA A 9 12.630 8.148 7.318 1.00 0.00 H new ATOM 0 HA ALA A 9 12.639 7.682 10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.308 9.544 10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.888 8.165 9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.249 9.613 8.503 1.00 0.00 H new ATOM 145 N VAL A 10 11.596 10.494 8.827 1.00 0.00 N ATOM 146 CA VAL A 10 10.602 11.585 8.975 1.00 0.00 C ATOM 147 C VAL A 10 9.207 11.231 8.439 1.00 0.00 C ATOM 148 O VAL A 10 8.241 11.930 8.750 1.00 0.00 O ATOM 149 CB VAL A 10 11.088 12.922 8.373 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.219 13.514 9.222 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.564 12.821 6.920 1.00 0.00 C ATOM 0 H VAL A 10 12.247 10.641 8.056 1.00 0.00 H new ATOM 0 HA VAL A 10 10.504 11.714 10.053 1.00 0.00 H new ATOM 0 HB VAL A 10 10.213 13.572 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.549 14.456 8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.858 13.693 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.055 12.815 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.888 13.803 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.397 12.121 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.746 12.467 6.293 1.00 0.00 H new ATOM 180 N VAL A 12 8.461 7.668 8.812 1.00 0.00 N ATOM 181 CA VAL A 12 8.431 6.373 9.535 1.00 0.00 C ATOM 182 C VAL A 12 8.106 5.130 8.675 1.00 0.00 C ATOM 183 O VAL A 12 7.378 4.230 9.099 1.00 0.00 O ATOM 184 CB VAL A 12 7.579 6.461 10.825 1.00 0.00 C ATOM 185 CG1 VAL A 12 8.185 7.469 11.812 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.111 6.845 10.590 1.00 0.00 C ATOM 0 HA VAL A 12 9.466 6.197 9.829 1.00 0.00 H new ATOM 0 HB VAL A 12 7.592 5.450 11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.569 7.514 12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.194 7.155 12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.222 8.455 11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.588 6.884 11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.063 7.822 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.639 6.102 9.947 1.00 0.00 H new ATOM 196 N ALA A 13 8.650 5.077 7.453 1.00 0.00 N ATOM 197 CA ALA A 13 8.427 4.025 6.450 1.00 0.00 C ATOM 198 C ALA A 13 6.940 3.784 6.077 1.00 0.00 C ATOM 199 O ALA A 13 6.556 2.661 5.742 1.00 0.00 O ATOM 200 CB ALA A 13 9.180 2.751 6.871 1.00 0.00 C ATOM 0 H ALA A 13 9.288 5.800 7.120 1.00 0.00 H new ATOM 0 HA ALA A 13 8.845 4.378 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.016 1.970 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.246 2.966 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.812 2.414 7.840 1.00 0.00 H new ATOM 206 N VAL A 14 6.095 4.826 6.125 1.00 0.00 N ATOM 207 CA VAL A 14 4.627 4.767 5.931 1.00 0.00 C ATOM 208 C VAL A 14 4.153 4.007 4.681 1.00 0.00 C ATOM 209 O VAL A 14 3.090 3.382 4.707 1.00 0.00 O ATOM 210 CB VAL A 14 4.015 6.185 5.998 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.442 7.080 4.825 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.485 6.174 6.078 1.00 0.00 C ATOM 0 H VAL A 14 6.424 5.774 6.307 1.00 0.00 H new ATOM 0 HA VAL A 14 4.255 4.166 6.761 1.00 0.00 H new ATOM 0 HB VAL A 14 4.413 6.604 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.980 8.062 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.527 7.188 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.123 6.627 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.116 7.199 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.078 5.680 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.171 5.636 6.973 1.00 0.00 H new ATOM 222 N ALA A 15 4.952 3.988 3.609 1.00 0.00 N ATOM 223 CA ALA A 15 4.684 3.221 2.389 1.00 0.00 C ATOM 224 C ALA A 15 4.463 1.709 2.636 1.00 0.00 C ATOM 225 O ALA A 15 3.720 1.071 1.886 1.00 0.00 O ATOM 226 CB ALA A 15 5.835 3.469 1.407 1.00 0.00 C ATOM 0 H ALA A 15 5.823 4.518 3.565 1.00 0.00 H new ATOM 0 HA ALA A 15 3.740 3.569 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.658 2.908 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.893 4.533 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.773 3.143 1.856 1.00 0.00 H new ATOM 232 N LEU A 16 5.038 1.140 3.704 1.00 0.00 N ATOM 233 CA LEU A 16 4.795 -0.243 4.136 1.00 0.00 C ATOM 234 C LEU A 16 3.322 -0.496 4.498 1.00 0.00 C ATOM 235 O LEU A 16 2.769 -1.534 4.141 1.00 0.00 O ATOM 236 CB LEU A 16 5.717 -0.550 5.333 1.00 0.00 C ATOM 237 CG LEU A 16 5.555 -1.959 5.937 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.863 -3.073 4.934 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.494 -2.115 7.133 1.00 0.00 C ATOM 0 H LEU A 16 5.697 1.637 4.303 1.00 0.00 H new ATOM 0 HA LEU A 16 5.020 -0.912 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.752 -0.424 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.531 0.187 6.114 1.00 0.00 H new ATOM 0 HG LEU A 16 4.511 -2.054 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.732 -4.042 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.185 -2.995 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.892 -2.976 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.378 -3.112 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.525 -1.977 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.249 -1.367 7.888 1.00 0.00 H new ATOM 251 N TYR A 17 2.670 0.446 5.185 1.00 0.00 N ATOM 252 CA TYR A 17 1.266 0.314 5.593 1.00 0.00 C ATOM 253 C TYR A 17 0.303 0.543 4.420 1.00 0.00 C ATOM 254 O TYR A 17 -0.733 -0.119 4.342 1.00 0.00 O ATOM 255 CB TYR A 17 0.969 1.271 6.757 1.00 0.00 C ATOM 256 CG TYR A 17 1.962 1.155 7.902 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.114 -0.065 8.589 1.00 0.00 C ATOM 258 CD2 TYR A 17 2.778 2.253 8.236 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.104 -0.197 9.583 1.00 0.00 C ATOM 260 CE2 TYR A 17 3.774 2.126 9.223 1.00 0.00 C ATOM 261 CZ TYR A 17 3.943 0.895 9.896 1.00 0.00 C ATOM 262 OH TYR A 17 4.908 0.754 10.847 1.00 0.00 O ATOM 0 H TYR A 17 3.101 1.324 5.475 1.00 0.00 H new ATOM 0 HA TYR A 17 1.105 -0.710 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.973 2.296 6.385 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.034 1.072 7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.471 -0.900 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.639 3.198 7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.221 -1.135 10.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.407 2.967 9.465 1.00 0.00 H new ATOM 0 HH TYR A 17 5.399 1.597 10.942 1.00 0.00 H new ATOM 272 N ALA A 18 0.672 1.408 3.466 1.00 0.00 N ATOM 273 CA ALA A 18 -0.029 1.540 2.188 1.00 0.00 C ATOM 274 C ALA A 18 0.050 0.236 1.369 1.00 0.00 C ATOM 275 O ALA A 18 -0.984 -0.301 0.974 1.00 0.00 O ATOM 276 CB ALA A 18 0.544 2.739 1.421 1.00 0.00 C ATOM 0 H ALA A 18 1.469 2.037 3.562 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.088 1.721 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.026 2.843 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.407 3.646 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.607 2.581 1.241 1.00 0.00 H new ATOM 282 N TYR A 19 1.244 -0.342 1.193 1.00 0.00 N ATOM 283 CA TYR A 19 1.421 -1.670 0.581 1.00 0.00 C ATOM 284 C TYR A 19 0.626 -2.755 1.329 1.00 0.00 C ATOM 285 O TYR A 19 -0.051 -3.578 0.710 1.00 0.00 O ATOM 286 CB TYR A 19 2.919 -2.002 0.534 1.00 0.00 C ATOM 287 CG TYR A 19 3.249 -3.324 -0.139 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.300 -4.511 0.619 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.512 -3.361 -1.523 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.609 -5.736 -0.007 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.830 -4.582 -2.150 1.00 0.00 C ATOM 292 CZ TYR A 19 3.878 -5.774 -1.392 1.00 0.00 C ATOM 293 OH TYR A 19 4.191 -6.956 -1.988 1.00 0.00 O ATOM 0 H TYR A 19 2.121 0.098 1.472 1.00 0.00 H new ATOM 0 HA TYR A 19 1.026 -1.647 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.440 -1.201 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.307 -2.020 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.102 -4.482 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.470 -2.452 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.640 -6.646 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.037 -4.607 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 19 4.346 -6.809 -2.944 1.00 0.00 H new ATOM 303 N GLY A 20 0.614 -2.699 2.662 1.00 0.00 N ATOM 304 CA GLY A 20 -0.121 -3.599 3.556 1.00 0.00 C ATOM 305 C GLY A 20 -1.655 -3.519 3.505 1.00 0.00 C ATOM 306 O GLY A 20 -2.309 -4.225 4.275 1.00 0.00 O ATOM 0 H GLY A 20 1.142 -1.991 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.174 -4.623 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.197 -3.397 4.579 1.00 0.00 H new ATOM 310 N LEU A 21 -2.236 -2.703 2.612 1.00 0.00 N ATOM 311 CA LEU A 21 -3.682 -2.672 2.338 1.00 0.00 C ATOM 312 C LEU A 21 -4.038 -2.521 0.847 1.00 0.00 C ATOM 313 O LEU A 21 -5.036 -3.084 0.399 1.00 0.00 O ATOM 314 CB LEU A 21 -4.347 -1.616 3.247 1.00 0.00 C ATOM 315 CG LEU A 21 -4.162 -0.131 2.871 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.269 0.374 1.939 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.224 0.734 4.133 1.00 0.00 C ATOM 0 H LEU A 21 -1.707 -2.036 2.051 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.094 -3.650 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.417 -1.824 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.967 -1.756 4.259 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.198 -0.057 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.095 1.424 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.265 -0.210 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.236 0.268 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.093 1.782 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.192 0.602 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.432 0.434 4.819 1.00 0.00 H new ATOM 342 N PHE A 23 -1.989 -3.730 -1.526 1.00 0.00 N ATOM 343 CA PHE A 23 -1.382 -4.935 -2.109 1.00 0.00 C ATOM 344 C PHE A 23 -1.628 -6.168 -1.226 1.00 0.00 C ATOM 345 O PHE A 23 -2.150 -7.169 -1.721 1.00 0.00 O ATOM 346 CB PHE A 23 0.128 -4.697 -2.337 1.00 0.00 C ATOM 347 CG PHE A 23 0.607 -4.927 -3.760 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.409 -6.172 -4.388 1.00 0.00 C ATOM 349 CD2 PHE A 23 1.284 -3.901 -4.448 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.885 -6.389 -5.694 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.762 -4.119 -5.753 1.00 0.00 C ATOM 352 CZ PHE A 23 1.564 -5.363 -6.376 1.00 0.00 C ATOM 0 HA PHE A 23 -1.854 -5.135 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.366 -3.673 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.688 -5.353 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.110 -6.962 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.437 -2.944 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.729 -7.344 -6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.281 -3.330 -6.276 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.933 -5.531 -7.377 1.00 0.00 H new ATOM 362 N ARG A 24 -1.320 -6.079 0.082 1.00 0.00 N ATOM 363 CA ARG A 24 -1.484 -7.126 1.123 1.00 0.00 C ATOM 364 C ARG A 24 -1.119 -8.556 0.670 1.00 0.00 C ATOM 365 O ARG A 24 -1.773 -9.535 1.030 1.00 0.00 O ATOM 366 CB ARG A 24 -2.842 -6.964 1.851 1.00 0.00 C ATOM 367 CG ARG A 24 -4.123 -6.808 1.013 1.00 0.00 C ATOM 368 CD ARG A 24 -4.587 -8.092 0.319 1.00 0.00 C ATOM 369 NE ARG A 24 -5.821 -7.850 -0.452 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.925 -7.552 -1.733 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.895 -7.449 -2.526 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.105 -7.341 -2.235 1.00 0.00 N ATOM 0 H ARG A 24 -0.925 -5.222 0.470 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.719 -6.957 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.975 -7.832 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.765 -6.092 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.924 -6.450 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.956 -6.041 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.803 -8.456 -0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.763 -8.870 1.062 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.697 -7.921 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.954 -7.601 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.030 -7.216 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.931 -7.407 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.205 -7.109 -3.223 1.00 0.00 H new ATOM 386 N LEU A 25 -0.069 -8.655 -0.151 1.00 0.00 N ATOM 387 CA LEU A 25 0.344 -9.856 -0.891 1.00 0.00 C ATOM 388 C LEU A 25 0.945 -10.973 -0.013 1.00 0.00 C ATOM 389 O LEU A 25 0.870 -12.151 -0.368 1.00 0.00 O ATOM 390 CB LEU A 25 1.357 -9.387 -1.958 1.00 0.00 C ATOM 391 CG LEU A 25 1.825 -10.455 -2.966 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.666 -11.051 -3.768 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.805 -9.821 -3.954 1.00 0.00 C ATOM 0 H LEU A 25 0.548 -7.862 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.541 -10.315 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.912 -8.562 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.234 -8.990 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 25 2.293 -11.254 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.050 -11.798 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.044 -11.521 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.165 -10.260 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.139 -10.573 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.310 -9.009 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.665 -9.429 -3.412 1.00 0.00 H new ATOM 424 N GLY A 27 2.235 -11.858 4.476 1.00 0.00 N ATOM 425 CA GLY A 27 1.765 -11.557 5.838 1.00 0.00 C ATOM 426 C GLY A 27 2.365 -12.364 6.993 1.00 0.00 C ATOM 427 O GLY A 27 1.851 -12.281 8.109 1.00 0.00 O ATOM 0 HA2 GLY A 27 1.955 -10.501 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.684 -11.696 5.858 1.00 0.00 H new ATOM 431 N ALA A 28 3.438 -13.130 6.768 1.00 0.00 N ATOM 432 CA ALA A 28 4.107 -13.899 7.827 1.00 0.00 C ATOM 433 C ALA A 28 4.730 -13.015 8.935 1.00 0.00 C ATOM 434 O ALA A 28 4.810 -13.443 10.091 1.00 0.00 O ATOM 435 CB ALA A 28 5.165 -14.798 7.175 1.00 0.00 C ATOM 0 H ALA A 28 3.868 -13.235 5.849 1.00 0.00 H new ATOM 0 HA ALA A 28 3.353 -14.500 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.674 -15.378 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.683 -15.475 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.891 -14.181 6.646 1.00 0.00 H new ATOM 441 N SER A 29 5.137 -11.784 8.590 1.00 0.00 N ATOM 442 CA SER A 29 5.900 -10.865 9.460 1.00 0.00 C ATOM 443 C SER A 29 5.543 -9.375 9.256 1.00 0.00 C ATOM 444 O SER A 29 6.336 -8.497 9.609 1.00 0.00 O ATOM 445 CB SER A 29 7.412 -11.068 9.235 1.00 0.00 C ATOM 446 OG SER A 29 7.810 -12.418 9.440 1.00 0.00 O ATOM 0 H SER A 29 4.941 -11.385 7.672 1.00 0.00 H new ATOM 0 HA SER A 29 5.624 -11.114 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.670 -10.765 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.968 -10.420 9.912 1.00 0.00 H new ATOM 0 HG SER A 29 8.774 -12.502 9.286 1.00 0.00 H new ATOM 452 N GLY A 30 4.382 -9.056 8.667 1.00 0.00 N ATOM 453 CA GLY A 30 4.005 -7.675 8.316 1.00 0.00 C ATOM 454 C GLY A 30 2.517 -7.453 7.988 1.00 0.00 C ATOM 455 O GLY A 30 1.737 -8.412 7.958 1.00 0.00 O ATOM 0 H GLY A 30 3.675 -9.748 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.277 -7.022 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.598 -7.363 7.456 1.00 0.00 H new ATOM 459 N PRO A 31 2.101 -6.190 7.758 1.00 0.00 N ATOM 460 CA PRO A 31 0.696 -5.801 7.612 1.00 0.00 C ATOM 461 C PRO A 31 0.052 -6.387 6.345 1.00 0.00 C ATOM 462 O PRO A 31 0.585 -6.256 5.242 1.00 0.00 O ATOM 463 CB PRO A 31 0.695 -4.265 7.606 1.00 0.00 C ATOM 464 CG PRO A 31 2.093 -3.900 7.105 1.00 0.00 C ATOM 465 CD PRO A 31 2.963 -5.016 7.676 1.00 0.00 C ATOM 0 HA PRO A 31 0.092 -6.197 8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.081 -3.868 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.509 -3.861 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.137 -3.871 6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.407 -2.920 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.824 -5.207 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.350 -4.746 8.658 1.00 0.00 H new ATOM 473 N ASN A 32 -1.103 -7.044 6.512 1.00 0.00 N ATOM 474 CA ASN A 32 -1.814 -7.758 5.439 1.00 0.00 C ATOM 475 C ASN A 32 -3.338 -7.919 5.680 1.00 0.00 C ATOM 476 O ASN A 32 -3.988 -8.743 5.033 1.00 0.00 O ATOM 477 CB ASN A 32 -1.121 -9.122 5.231 1.00 0.00 C ATOM 478 CG ASN A 32 -1.349 -10.098 6.373 1.00 0.00 C ATOM 479 OD1 ASN A 32 -2.189 -10.983 6.307 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.624 -9.989 7.462 1.00 0.00 N ATOM 0 H ASN A 32 -1.580 -7.096 7.412 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.753 -7.152 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.484 -9.568 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.050 -8.962 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.766 -10.637 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.082 -9.256 7.534 1.00 0.00 H new ATOM 487 N LYS A 33 -3.912 -7.173 6.637 1.00 0.00 N ATOM 488 CA LYS A 33 -5.252 -7.411 7.230 1.00 0.00 C ATOM 489 C LYS A 33 -6.172 -6.178 7.158 1.00 0.00 C ATOM 490 O LYS A 33 -7.056 -5.984 7.996 1.00 0.00 O ATOM 491 CB LYS A 33 -5.072 -7.980 8.657 1.00 0.00 C ATOM 492 CG LYS A 33 -4.595 -9.445 8.670 1.00 0.00 C ATOM 493 CD LYS A 33 -5.734 -10.429 8.344 1.00 0.00 C ATOM 494 CE LYS A 33 -5.255 -11.886 8.267 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.629 -12.204 6.955 1.00 0.00 N ATOM 0 H LYS A 33 -3.446 -6.359 7.038 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.780 -8.154 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.353 -7.366 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.019 -7.908 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.790 -9.570 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.181 -9.682 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.510 -10.346 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.189 -10.150 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.537 -12.073 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.100 -12.554 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.429 -13.223 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.279 -11.940 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.741 -11.672 6.856 1.00 0.00 H new ATOM 509 N LYS A 34 -5.966 -5.356 6.126 1.00 0.00 N ATOM 510 CA LYS A 34 -6.785 -4.196 5.727 1.00 0.00 C ATOM 511 C LYS A 34 -6.922 -4.179 4.196 1.00 0.00 C ATOM 512 O LYS A 34 -6.131 -4.818 3.504 1.00 0.00 O ATOM 513 CB LYS A 34 -6.121 -2.892 6.213 1.00 0.00 C ATOM 514 CG LYS A 34 -5.898 -2.793 7.730 1.00 0.00 C ATOM 515 CD LYS A 34 -5.289 -1.427 8.090 1.00 0.00 C ATOM 516 CE LYS A 34 -4.744 -1.369 9.525 1.00 0.00 C ATOM 517 NZ LYS A 34 -5.811 -1.506 10.552 1.00 0.00 N ATOM 0 H LYS A 34 -5.170 -5.487 5.501 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.774 -4.274 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.158 -2.786 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.738 -2.050 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.845 -2.926 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.236 -3.593 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.483 -1.200 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.047 -0.654 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.010 -2.163 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.223 -0.423 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.388 -1.460 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.500 -0.734 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.293 -2.420 10.432 1.00 0.00 H new ATOM 531 N GLU A 35 -7.878 -3.420 3.664 1.00 0.00 N ATOM 532 CA GLU A 35 -8.062 -3.196 2.216 1.00 0.00 C ATOM 533 C GLU A 35 -8.491 -1.746 1.919 1.00 0.00 C ATOM 534 O GLU A 35 -8.961 -1.034 2.810 1.00 0.00 O ATOM 535 CB GLU A 35 -9.083 -4.190 1.625 1.00 0.00 C ATOM 536 CG GLU A 35 -8.601 -5.649 1.668 1.00 0.00 C ATOM 537 CD GLU A 35 -9.468 -6.580 0.800 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.918 -7.197 -0.147 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.687 -6.719 1.066 1.00 0.00 O ATOM 0 H GLU A 35 -8.567 -2.929 4.234 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.098 -3.367 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.021 -4.107 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.293 -3.914 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.567 -5.697 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.613 -6.002 2.699 1.00 0.00 H new ATOM 546 N SER A 36 -8.318 -1.305 0.669 1.00 0.00 N ATOM 547 CA SER A 36 -8.605 0.061 0.194 1.00 0.00 C ATOM 548 C SER A 36 -10.059 0.515 0.424 1.00 0.00 C ATOM 549 O SER A 36 -10.993 -0.285 0.320 1.00 0.00 O ATOM 550 CB SER A 36 -8.293 0.160 -1.306 1.00 0.00 C ATOM 551 OG SER A 36 -6.975 -0.292 -1.581 1.00 0.00 O ATOM 0 H SER A 36 -7.961 -1.909 -0.071 1.00 0.00 H new ATOM 0 HA SER A 36 -7.969 0.722 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.011 -0.435 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.404 1.193 -1.637 1.00 0.00 H new ATOM 0 HG SER A 36 -6.799 -0.222 -2.542 1.00 0.00 H new ATOM 557 N ARG A 37 -10.251 1.821 0.674 1.00 0.00 N ATOM 558 CA ARG A 37 -11.547 2.486 0.949 1.00 0.00 C ATOM 559 C ARG A 37 -11.657 3.838 0.220 1.00 0.00 C ATOM 560 O ARG A 37 -10.667 4.351 -0.309 1.00 0.00 O ATOM 561 CB ARG A 37 -11.718 2.701 2.473 1.00 0.00 C ATOM 562 CG ARG A 37 -11.632 1.444 3.356 1.00 0.00 C ATOM 563 CD ARG A 37 -12.745 0.426 3.084 1.00 0.00 C ATOM 564 NE ARG A 37 -12.546 -0.801 3.880 1.00 0.00 N ATOM 565 CZ ARG A 37 -13.074 -1.990 3.652 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.887 -2.213 2.657 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.797 -2.994 4.434 1.00 0.00 N ATOM 0 H ARG A 37 -9.472 2.479 0.692 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.339 1.836 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.956 3.405 2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.685 3.173 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.666 0.965 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.672 1.743 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.712 0.867 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.763 0.177 2.023 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.935 -0.722 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.136 -1.455 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.274 -3.146 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.169 -2.864 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.208 -3.910 4.253 1.00 0.00 H new ATOM 581 N GLY A 38 -12.852 4.433 0.223 1.00 0.00 N ATOM 582 CA GLY A 38 -13.134 5.756 -0.354 1.00 0.00 C ATOM 583 C GLY A 38 -14.570 6.242 -0.111 1.00 0.00 C ATOM 584 O GLY A 38 -15.391 5.521 0.466 1.00 0.00 O ATOM 0 H GLY A 38 -13.676 3.998 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.438 6.482 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.948 5.721 -1.428 1.00 0.00 H new ATOM 588 N ARG A 39 -14.872 7.471 -0.558 1.00 0.00 N ATOM 589 CA ARG A 39 -16.164 8.174 -0.353 1.00 0.00 C ATOM 590 C ARG A 39 -16.757 8.794 -1.636 1.00 0.00 C ATOM 591 O ARG A 39 -17.740 9.537 -1.566 1.00 0.00 O ATOM 592 CB ARG A 39 -15.995 9.233 0.761 1.00 0.00 C ATOM 593 CG ARG A 39 -15.772 8.615 2.151 1.00 0.00 C ATOM 594 CD ARG A 39 -15.655 9.710 3.219 1.00 0.00 C ATOM 595 NE ARG A 39 -15.543 9.131 4.574 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.209 9.770 5.682 1.00 0.00 C ATOM 597 NH1 ARG A 39 -14.907 11.038 5.692 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.172 9.137 6.820 1.00 0.00 N ATOM 0 H ARG A 39 -14.205 8.029 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.893 7.423 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.150 9.877 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.882 9.867 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.599 7.949 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.866 8.009 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.782 10.330 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.527 10.362 3.171 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.744 8.135 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.923 11.573 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.654 11.495 6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.401 8.144 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.914 9.635 7.672 1.00 0.00 H new ATOM 612 N GLY A 40 -16.185 8.494 -2.807 1.00 0.00 N ATOM 613 CA GLY A 40 -16.593 9.061 -4.104 1.00 0.00 C ATOM 614 C GLY A 40 -16.122 8.270 -5.334 1.00 0.00 C ATOM 615 O GLY A 40 -15.971 8.831 -6.419 1.00 0.00 O ATOM 0 H GLY A 40 -15.409 7.837 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.681 9.128 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.209 10.079 -4.176 1.00 0.00 H new