USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 284 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 24 LYS NZ :NH3+ -140:sc= 1.12 (180deg=0.237) USER MOD Set 1.2: A 32 TYR OH : rot 134:sc= 1.24 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 2.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 153:sc= -1.19 (180deg=-2.37!) USER MOD Single : A 3 ASN : amide:sc= 0.485 X(o=0.48,f=-0.0068) USER MOD Single : A 7 SER OG : rot 74:sc= 1.23 USER MOD Single : A 8 SER OG : rot 180:sc= 0.044 USER MOD Single : A 9 ASN : amide:sc= 0.522 K(o=0.52,f=-3.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.865 USER MOD Single : A 19 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.26) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 0.367 (180deg=-0.73) USER MOD Single : A 25 THR OG1 : rot -71:sc= -0.74 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -140:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.361 K(o=-0.36,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 34.923 27.877 32.067 1.00 0.00 N ATOM 2 CA LEU A 1 35.106 29.256 31.563 1.00 0.00 C ATOM 3 C LEU A 1 34.054 29.663 30.528 1.00 0.00 C ATOM 4 O LEU A 1 33.179 30.431 30.888 1.00 0.00 O ATOM 5 CB LEU A 1 36.553 29.668 31.247 1.00 0.00 C ATOM 6 CG LEU A 1 37.193 29.136 29.967 1.00 0.00 C ATOM 7 CD1 LEU A 1 38.609 29.676 29.918 1.00 0.00 C ATOM 8 CD2 LEU A 1 37.181 27.616 30.048 1.00 0.00 C ATOM 0 H1 LEU A 1 35.840 27.495 32.374 1.00 0.00 H new ATOM 0 H2 LEU A 1 34.264 27.886 32.872 1.00 0.00 H new ATOM 0 H3 LEU A 1 34.535 27.279 31.309 1.00 0.00 H new ATOM 0 HA LEU A 1 34.898 29.890 32.425 1.00 0.00 H new ATOM 0 HB2 LEU A 1 36.588 30.757 31.209 1.00 0.00 H new ATOM 0 HB3 LEU A 1 37.178 29.358 32.085 1.00 0.00 H new ATOM 0 HG LEU A 1 36.662 29.444 29.066 1.00 0.00 H new ATOM 0 HD11 LEU A 1 39.104 29.318 29.015 1.00 0.00 H new ATOM 0 HD12 LEU A 1 38.583 30.766 29.910 1.00 0.00 H new ATOM 0 HD13 LEU A 1 39.160 29.333 30.794 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.632 27.200 29.147 1.00 0.00 H new ATOM 0 HD22 LEU A 1 37.749 27.294 30.921 1.00 0.00 H new ATOM 0 HD23 LEU A 1 36.153 27.264 30.134 1.00 0.00 H new ATOM 20 N CYS A 2 34.102 29.154 29.289 1.00 0.00 N ATOM 21 CA CYS A 2 33.236 29.516 28.151 1.00 0.00 C ATOM 22 C CYS A 2 31.756 29.062 28.288 1.00 0.00 C ATOM 23 O CYS A 2 31.221 28.419 27.395 1.00 0.00 O ATOM 24 CB CYS A 2 33.912 28.953 26.886 1.00 0.00 C ATOM 25 SG CYS A 2 34.071 27.138 26.852 1.00 0.00 S ATOM 0 H CYS A 2 34.783 28.438 29.037 1.00 0.00 H new ATOM 0 HA CYS A 2 33.148 30.601 28.105 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.341 29.271 26.013 1.00 0.00 H new ATOM 0 HB3 CYS A 2 34.905 29.393 26.795 1.00 0.00 H new ATOM 30 N ASN A 3 31.085 29.358 29.404 1.00 0.00 N ATOM 31 CA ASN A 3 29.728 28.905 29.720 1.00 0.00 C ATOM 32 C ASN A 3 28.637 29.609 28.871 1.00 0.00 C ATOM 33 O ASN A 3 27.898 30.461 29.369 1.00 0.00 O ATOM 34 CB ASN A 3 29.520 29.042 31.243 1.00 0.00 C ATOM 35 CG ASN A 3 28.278 28.322 31.749 1.00 0.00 C ATOM 36 OD1 ASN A 3 28.348 27.283 32.387 1.00 0.00 O ATOM 37 ND2 ASN A 3 27.106 28.840 31.479 1.00 0.00 N ATOM 0 H ASN A 3 31.486 29.941 30.139 1.00 0.00 H new ATOM 0 HA ASN A 3 29.619 27.856 29.444 1.00 0.00 H new ATOM 0 HB2 ASN A 3 30.395 28.648 31.759 1.00 0.00 H new ATOM 0 HB3 ASN A 3 29.448 30.099 31.499 1.00 0.00 H new ATOM 0 HD21 ASN A 3 26.257 28.376 31.801 1.00 0.00 H new ATOM 0 HD22 ASN A 3 27.042 29.708 30.946 1.00 0.00 H new ATOM 44 N GLU A 4 28.502 29.218 27.602 1.00 0.00 N ATOM 45 CA GLU A 4 27.460 29.661 26.661 1.00 0.00 C ATOM 46 C GLU A 4 26.894 28.471 25.841 1.00 0.00 C ATOM 47 O GLU A 4 27.514 27.398 25.797 1.00 0.00 O ATOM 48 CB GLU A 4 28.002 30.794 25.765 1.00 0.00 C ATOM 49 CG GLU A 4 28.175 32.098 26.559 1.00 0.00 C ATOM 50 CD GLU A 4 28.303 33.372 25.713 1.00 0.00 C ATOM 51 OE1 GLU A 4 28.792 33.338 24.563 1.00 0.00 O ATOM 52 OE2 GLU A 4 27.917 34.456 26.204 1.00 0.00 O ATOM 0 H GLU A 4 29.146 28.551 27.178 1.00 0.00 H new ATOM 0 HA GLU A 4 26.621 30.064 27.229 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.959 30.496 25.337 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.319 30.961 24.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 27.323 32.211 27.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 29.063 32.007 27.185 1.00 0.00 H new ATOM 59 N PRO A 5 25.682 28.597 25.258 1.00 0.00 N ATOM 60 CA PRO A 5 25.069 27.543 24.446 1.00 0.00 C ATOM 61 C PRO A 5 25.640 27.479 23.020 1.00 0.00 C ATOM 62 O PRO A 5 26.103 28.483 22.475 1.00 0.00 O ATOM 63 CB PRO A 5 23.573 27.874 24.432 1.00 0.00 C ATOM 64 CG PRO A 5 23.565 29.399 24.494 1.00 0.00 C ATOM 65 CD PRO A 5 24.749 29.707 25.411 1.00 0.00 C ATOM 0 HA PRO A 5 25.274 26.559 24.867 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.085 27.503 23.531 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.053 27.432 25.281 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.691 29.845 23.507 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.629 29.782 24.900 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.219 30.651 25.136 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.424 29.803 26.447 1.00 0.00 H new ATOM 73 N CYS A 6 25.543 26.306 22.387 1.00 0.00 N ATOM 74 CA CYS A 6 26.139 26.055 21.067 1.00 0.00 C ATOM 75 C CYS A 6 25.242 25.299 20.061 1.00 0.00 C ATOM 76 O CYS A 6 24.208 24.716 20.396 1.00 0.00 O ATOM 77 CB CYS A 6 27.472 25.302 21.282 1.00 0.00 C ATOM 78 SG CYS A 6 27.472 23.563 20.755 1.00 0.00 S ATOM 0 H CYS A 6 25.049 25.502 22.774 1.00 0.00 H new ATOM 0 HA CYS A 6 26.289 27.029 20.600 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.259 25.828 20.742 1.00 0.00 H new ATOM 0 HB3 CYS A 6 27.728 25.344 22.341 1.00 0.00 H new ATOM 83 N SER A 7 25.711 25.274 18.814 1.00 0.00 N ATOM 84 CA SER A 7 25.165 24.537 17.669 1.00 0.00 C ATOM 85 C SER A 7 25.857 23.164 17.487 1.00 0.00 C ATOM 86 O SER A 7 25.195 22.129 17.369 1.00 0.00 O ATOM 87 CB SER A 7 25.335 25.385 16.399 1.00 0.00 C ATOM 88 OG SER A 7 24.838 26.695 16.594 1.00 0.00 O ATOM 0 H SER A 7 26.542 25.806 18.556 1.00 0.00 H new ATOM 0 HA SER A 7 24.108 24.347 17.855 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.389 25.429 16.125 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.810 24.913 15.569 1.00 0.00 H new ATOM 0 HG SER A 7 25.457 27.199 17.162 1.00 0.00 H new ATOM 94 N SER A 8 27.199 23.136 17.468 1.00 0.00 N ATOM 95 CA SER A 8 28.066 21.943 17.350 1.00 0.00 C ATOM 96 C SER A 8 29.522 22.263 17.753 1.00 0.00 C ATOM 97 O SER A 8 29.807 23.401 18.129 1.00 0.00 O ATOM 98 CB SER A 8 28.024 21.423 15.908 1.00 0.00 C ATOM 99 OG SER A 8 28.560 20.116 15.833 1.00 0.00 O ATOM 0 H SER A 8 27.745 23.995 17.539 1.00 0.00 H new ATOM 0 HA SER A 8 27.692 21.178 18.030 1.00 0.00 H new ATOM 0 HB2 SER A 8 26.996 21.421 15.546 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.589 22.091 15.258 1.00 0.00 H new ATOM 0 HG SER A 8 28.523 19.800 14.906 1.00 0.00 H new ATOM 105 N ASN A 9 30.452 21.297 17.654 1.00 0.00 N ATOM 106 CA ASN A 9 31.894 21.414 17.983 1.00 0.00 C ATOM 107 C ASN A 9 32.671 22.307 16.987 1.00 0.00 C ATOM 108 O ASN A 9 33.551 21.865 16.253 1.00 0.00 O ATOM 109 CB ASN A 9 32.563 20.028 18.087 1.00 0.00 C ATOM 110 CG ASN A 9 31.846 19.103 19.050 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.848 19.298 20.250 1.00 0.00 O ATOM 112 ND2 ASN A 9 31.182 18.075 18.579 1.00 0.00 N ATOM 0 H ASN A 9 30.211 20.362 17.325 1.00 0.00 H new ATOM 0 HA ASN A 9 31.938 21.902 18.957 1.00 0.00 H new ATOM 0 HB2 ASN A 9 32.590 19.567 17.100 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.597 20.151 18.410 1.00 0.00 H new ATOM 0 HD21 ASN A 9 30.680 17.457 19.216 1.00 0.00 H new ATOM 0 HD22 ASN A 9 31.168 17.894 17.575 1.00 0.00 H new ATOM 119 N SER A 10 32.288 23.575 16.938 1.00 0.00 N ATOM 120 CA SER A 10 32.833 24.677 16.141 1.00 0.00 C ATOM 121 C SER A 10 32.321 26.004 16.702 1.00 0.00 C ATOM 122 O SER A 10 33.080 26.952 16.864 1.00 0.00 O ATOM 123 CB SER A 10 32.458 24.480 14.676 1.00 0.00 C ATOM 124 OG SER A 10 32.955 25.531 13.876 1.00 0.00 O ATOM 0 H SER A 10 31.508 23.895 17.513 1.00 0.00 H new ATOM 0 HA SER A 10 33.921 24.692 16.198 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.856 23.530 14.321 1.00 0.00 H new ATOM 0 HB3 SER A 10 31.374 24.427 14.579 1.00 0.00 H new ATOM 0 HG SER A 10 32.702 25.379 12.942 1.00 0.00 H new ATOM 130 N ASP A 11 31.074 26.014 17.177 1.00 0.00 N ATOM 131 CA ASP A 11 30.411 27.126 17.870 1.00 0.00 C ATOM 132 C ASP A 11 30.989 27.387 19.290 1.00 0.00 C ATOM 133 O ASP A 11 30.396 28.111 20.082 1.00 0.00 O ATOM 134 CB ASP A 11 28.908 26.781 17.919 1.00 0.00 C ATOM 135 CG ASP A 11 27.960 27.974 17.790 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.347 28.996 17.191 1.00 0.00 O ATOM 137 OD2 ASP A 11 26.784 27.794 18.190 1.00 0.00 O ATOM 0 H ASP A 11 30.464 25.202 17.084 1.00 0.00 H new ATOM 0 HA ASP A 11 30.584 28.056 17.329 1.00 0.00 H new ATOM 0 HB2 ASP A 11 28.688 26.075 17.119 1.00 0.00 H new ATOM 0 HB3 ASP A 11 28.699 26.272 18.860 1.00 0.00 H new ATOM 142 N CYS A 12 32.135 26.772 19.613 1.00 0.00 N ATOM 143 CA CYS A 12 32.873 26.818 20.882 1.00 0.00 C ATOM 144 C CYS A 12 34.400 26.833 20.640 1.00 0.00 C ATOM 145 O CYS A 12 35.192 26.833 21.581 1.00 0.00 O ATOM 146 CB CYS A 12 32.527 25.594 21.747 1.00 0.00 C ATOM 147 SG CYS A 12 30.800 25.311 22.212 1.00 0.00 S ATOM 0 H CYS A 12 32.610 26.178 18.934 1.00 0.00 H new ATOM 0 HA CYS A 12 32.581 27.734 21.396 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.875 24.707 21.217 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.108 25.665 22.666 1.00 0.00 H new ATOM 152 N ILE A 13 34.849 26.794 19.381 1.00 0.00 N ATOM 153 CA ILE A 13 36.242 26.773 18.979 1.00 0.00 C ATOM 154 C ILE A 13 36.767 28.219 18.922 1.00 0.00 C ATOM 155 O ILE A 13 36.036 29.152 18.591 1.00 0.00 O ATOM 156 CB ILE A 13 36.270 26.037 17.631 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.121 24.539 17.948 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.543 26.314 16.873 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.338 23.568 16.795 1.00 0.00 C ATOM 0 H ILE A 13 34.213 26.776 18.584 1.00 0.00 H new ATOM 0 HA ILE A 13 36.900 26.254 19.676 1.00 0.00 H new ATOM 0 HB ILE A 13 35.461 26.382 16.987 1.00 0.00 H new ATOM 0 HG12 ILE A 13 36.826 24.288 18.741 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.120 24.374 18.347 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.526 25.776 15.925 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.627 27.384 16.682 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.397 25.982 17.463 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.204 22.546 17.150 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.617 23.775 16.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.349 23.687 16.404 1.00 0.00 H new ATOM 171 N GLY A 14 38.054 28.414 19.210 1.00 0.00 N ATOM 172 CA GLY A 14 38.751 29.705 19.125 1.00 0.00 C ATOM 173 C GLY A 14 38.414 30.681 20.260 1.00 0.00 C ATOM 174 O GLY A 14 39.324 31.264 20.845 1.00 0.00 O ATOM 0 H GLY A 14 38.663 27.656 19.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 39.826 29.525 19.124 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.506 30.175 18.173 1.00 0.00 H new ATOM 178 N ILE A 15 37.131 30.822 20.620 1.00 0.00 N ATOM 179 CA ILE A 15 36.623 31.679 21.714 1.00 0.00 C ATOM 180 C ILE A 15 37.305 31.370 23.047 1.00 0.00 C ATOM 181 O ILE A 15 37.437 32.219 23.929 1.00 0.00 O ATOM 182 CB ILE A 15 35.077 31.651 21.773 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.374 30.289 21.969 1.00 0.00 C ATOM 184 CG2 ILE A 15 34.574 32.198 20.435 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.649 29.612 23.310 1.00 0.00 C ATOM 0 H ILE A 15 36.382 30.323 20.140 1.00 0.00 H new ATOM 0 HA ILE A 15 36.894 32.712 21.494 1.00 0.00 H new ATOM 0 HB ILE A 15 34.832 32.226 22.666 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.299 30.433 21.865 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.685 29.617 21.169 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.484 32.198 20.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 34.938 33.216 20.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 34.942 31.570 19.624 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.114 28.664 23.355 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.719 29.430 23.413 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.311 30.258 24.120 1.00 0.00 H new ATOM 197 N THR A 16 37.721 30.123 23.188 1.00 0.00 N ATOM 198 CA THR A 16 38.503 29.459 24.206 1.00 0.00 C ATOM 199 C THR A 16 38.887 28.104 23.582 1.00 0.00 C ATOM 200 O THR A 16 38.307 27.671 22.584 1.00 0.00 O ATOM 201 CB THR A 16 37.620 29.282 25.443 1.00 0.00 C ATOM 202 OG1 THR A 16 37.451 30.506 26.113 1.00 0.00 O ATOM 203 CG2 THR A 16 38.204 28.331 26.454 1.00 0.00 C ATOM 0 H THR A 16 37.472 29.447 22.466 1.00 0.00 H new ATOM 0 HA THR A 16 39.393 30.008 24.514 1.00 0.00 H new ATOM 0 HB THR A 16 36.678 28.886 25.064 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.507 31.242 25.469 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.531 28.249 27.307 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.334 27.350 25.998 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.171 28.706 26.790 1.00 0.00 H new ATOM 211 N LEU A 17 39.861 27.407 24.158 1.00 0.00 N ATOM 212 CA LEU A 17 40.261 26.047 23.787 1.00 0.00 C ATOM 213 C LEU A 17 39.195 25.052 24.325 1.00 0.00 C ATOM 214 O LEU A 17 39.516 24.141 25.082 1.00 0.00 O ATOM 215 CB LEU A 17 41.671 25.783 24.369 1.00 0.00 C ATOM 216 CG LEU A 17 42.688 26.916 24.227 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.948 26.385 24.885 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.937 27.233 22.760 1.00 0.00 C ATOM 0 H LEU A 17 40.417 27.785 24.925 1.00 0.00 H new ATOM 0 HA LEU A 17 40.314 25.917 22.706 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.565 25.550 25.428 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.079 24.895 23.886 1.00 0.00 H new ATOM 0 HG LEU A 17 42.343 27.842 24.686 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.734 27.138 24.828 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.743 26.153 25.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 44.274 25.481 24.370 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.663 28.042 22.681 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.324 26.347 22.257 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.002 27.538 22.290 1.00 0.00 H new ATOM 230 N CYS A 18 37.921 25.219 23.947 1.00 0.00 N ATOM 231 CA CYS A 18 36.776 24.469 24.475 1.00 0.00 C ATOM 232 C CYS A 18 35.907 23.878 23.361 1.00 0.00 C ATOM 233 O CYS A 18 34.687 23.985 23.346 1.00 0.00 O ATOM 234 CB CYS A 18 36.041 25.344 25.512 1.00 0.00 C ATOM 235 SG CYS A 18 34.875 26.638 25.037 1.00 0.00 S ATOM 0 H CYS A 18 37.651 25.904 23.241 1.00 0.00 H new ATOM 0 HA CYS A 18 37.114 23.580 25.008 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.500 24.662 26.168 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.811 25.824 26.116 1.00 0.00 H new ATOM 240 N GLN A 19 36.576 23.210 22.416 1.00 0.00 N ATOM 241 CA GLN A 19 35.977 22.659 21.194 1.00 0.00 C ATOM 242 C GLN A 19 34.762 21.757 21.449 1.00 0.00 C ATOM 243 O GLN A 19 33.821 21.730 20.661 1.00 0.00 O ATOM 244 CB GLN A 19 36.993 21.862 20.349 1.00 0.00 C ATOM 245 CG GLN A 19 38.476 21.864 20.749 1.00 0.00 C ATOM 246 CD GLN A 19 39.247 23.119 20.346 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.240 23.573 19.216 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.993 23.714 21.244 1.00 0.00 N ATOM 0 H GLN A 19 37.578 23.032 22.481 1.00 0.00 H new ATOM 0 HA GLN A 19 35.644 23.542 20.648 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.661 20.824 20.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 36.930 22.234 19.326 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.546 21.743 21.830 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.960 20.997 20.299 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.021 23.359 22.200 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.545 24.532 20.987 1.00 0.00 H new ATOM 257 N PHE A 20 34.845 20.986 22.533 1.00 0.00 N ATOM 258 CA PHE A 20 33.910 19.959 22.957 1.00 0.00 C ATOM 259 C PHE A 20 32.600 20.505 23.533 1.00 0.00 C ATOM 260 O PHE A 20 32.429 20.662 24.740 1.00 0.00 O ATOM 261 CB PHE A 20 34.634 19.053 23.951 1.00 0.00 C ATOM 262 CG PHE A 20 35.833 18.328 23.369 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.610 17.224 22.531 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.158 18.714 23.671 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.690 16.488 22.020 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.241 17.997 23.130 1.00 0.00 C ATOM 267 CZ PHE A 20 38.010 16.877 22.312 1.00 0.00 C ATOM 0 H PHE A 20 35.627 21.074 23.181 1.00 0.00 H new ATOM 0 HA PHE A 20 33.596 19.396 22.078 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.962 19.652 24.800 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.929 18.316 24.335 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.600 16.939 22.278 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.340 19.560 24.317 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.508 15.622 21.402 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.253 18.308 23.344 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.842 16.318 21.910 1.00 0.00 H new ATOM 277 N CYS A 21 31.631 20.759 22.664 1.00 0.00 N ATOM 278 CA CYS A 21 30.292 21.169 23.065 1.00 0.00 C ATOM 279 C CYS A 21 29.482 19.970 23.591 1.00 0.00 C ATOM 280 O CYS A 21 28.935 19.175 22.824 1.00 0.00 O ATOM 281 CB CYS A 21 29.613 21.846 21.885 1.00 0.00 C ATOM 282 SG CYS A 21 28.013 22.507 22.378 1.00 0.00 S ATOM 0 H CYS A 21 31.753 20.686 21.654 1.00 0.00 H new ATOM 0 HA CYS A 21 30.354 21.882 23.887 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.244 22.649 21.506 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.484 21.131 21.072 1.00 0.00 H new ATOM 287 N LYS A 22 29.423 19.814 24.915 1.00 0.00 N ATOM 288 CA LYS A 22 28.699 18.741 25.594 1.00 0.00 C ATOM 289 C LYS A 22 27.191 18.918 25.546 1.00 0.00 C ATOM 290 O LYS A 22 26.648 19.934 25.985 1.00 0.00 O ATOM 291 CB LYS A 22 29.152 18.601 27.068 1.00 0.00 C ATOM 292 CG LYS A 22 30.170 17.468 27.203 1.00 0.00 C ATOM 293 CD LYS A 22 29.542 16.081 26.994 1.00 0.00 C ATOM 294 CE LYS A 22 29.449 15.191 28.243 1.00 0.00 C ATOM 295 NZ LYS A 22 30.591 14.255 28.360 1.00 0.00 N ATOM 0 H LYS A 22 29.891 20.449 25.561 1.00 0.00 H new ATOM 0 HA LYS A 22 28.944 17.830 25.048 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.592 19.537 27.411 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.289 18.402 27.704 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.969 17.614 26.476 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.627 17.511 28.192 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.538 16.215 26.592 1.00 0.00 H new ATOM 0 HD3 LYS A 22 30.121 15.552 26.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.407 15.821 29.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 28.519 14.623 28.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.328 13.461 28.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.840 13.892 27.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.408 14.754 28.766 1.00 0.00 H new ATOM 309 N GLU A 23 26.529 17.895 25.019 1.00 0.00 N ATOM 310 CA GLU A 23 25.073 17.797 25.032 1.00 0.00 C ATOM 311 C GLU A 23 24.733 17.129 26.364 1.00 0.00 C ATOM 312 O GLU A 23 25.061 15.966 26.604 1.00 0.00 O ATOM 313 CB GLU A 23 24.475 17.054 23.827 1.00 0.00 C ATOM 314 CG GLU A 23 23.214 17.784 23.388 1.00 0.00 C ATOM 315 CD GLU A 23 22.578 17.232 22.103 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.767 16.042 21.762 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.922 18.009 21.370 1.00 0.00 O ATOM 0 H GLU A 23 26.989 17.105 24.568 1.00 0.00 H new ATOM 0 HA GLU A 23 24.625 18.787 24.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.195 17.016 23.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.242 16.023 24.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.481 17.734 24.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.452 18.837 23.238 1.00 0.00 H new ATOM 324 N LYS A 24 24.213 17.926 27.290 1.00 0.00 N ATOM 325 CA LYS A 24 23.917 17.550 28.672 1.00 0.00 C ATOM 326 C LYS A 24 22.580 18.105 29.079 1.00 0.00 C ATOM 327 O LYS A 24 22.038 18.972 28.406 1.00 0.00 O ATOM 328 CB LYS A 24 25.032 18.102 29.582 1.00 0.00 C ATOM 329 CG LYS A 24 25.020 19.647 29.634 1.00 0.00 C ATOM 330 CD LYS A 24 26.011 20.295 30.602 1.00 0.00 C ATOM 331 CE LYS A 24 25.727 19.945 32.061 1.00 0.00 C ATOM 332 NZ LYS A 24 24.410 20.442 32.562 1.00 0.00 N ATOM 0 H LYS A 24 23.974 18.898 27.091 1.00 0.00 H new ATOM 0 HA LYS A 24 23.877 16.465 28.765 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.909 17.704 30.589 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.001 17.758 29.219 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.222 20.026 28.632 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.015 19.974 29.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.022 19.977 30.347 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.977 21.378 30.479 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.763 18.862 32.177 1.00 0.00 H new ATOM 0 HE3 LYS A 24 26.520 20.359 32.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 24.519 20.796 33.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.074 21.212 31.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.719 19.665 32.552 1.00 0.00 H new ATOM 346 N THR A 25 22.107 17.690 30.243 1.00 0.00 N ATOM 347 CA THR A 25 20.877 18.243 30.793 1.00 0.00 C ATOM 348 C THR A 25 21.047 18.884 32.146 1.00 0.00 C ATOM 349 O THR A 25 22.105 18.855 32.780 1.00 0.00 O ATOM 350 CB THR A 25 19.709 17.246 30.708 1.00 0.00 C ATOM 351 OG1 THR A 25 18.543 17.623 31.390 1.00 0.00 O ATOM 352 CG2 THR A 25 19.949 15.960 31.399 1.00 0.00 C ATOM 0 H THR A 25 22.551 16.978 30.823 1.00 0.00 H new ATOM 0 HA THR A 25 20.603 19.078 30.148 1.00 0.00 H new ATOM 0 HB THR A 25 19.612 17.195 29.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.694 17.560 32.356 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.075 15.319 31.288 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.818 15.468 30.961 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.132 16.144 32.458 1.00 0.00 H new ATOM 360 N ASP A 26 19.961 19.539 32.508 1.00 0.00 N ATOM 361 CA ASP A 26 19.668 20.139 33.775 1.00 0.00 C ATOM 362 C ASP A 26 19.082 19.039 34.660 1.00 0.00 C ATOM 363 O ASP A 26 18.788 17.928 34.202 1.00 0.00 O ATOM 364 CB ASP A 26 18.640 21.268 33.604 1.00 0.00 C ATOM 365 CG ASP A 26 19.295 22.481 34.233 1.00 0.00 C ATOM 366 OD1 ASP A 26 19.351 22.491 35.478 1.00 0.00 O ATOM 367 OD2 ASP A 26 19.906 23.265 33.470 1.00 0.00 O ATOM 0 H ASP A 26 19.193 19.671 31.850 1.00 0.00 H new ATOM 0 HA ASP A 26 20.567 20.567 34.217 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.413 21.441 32.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.699 21.025 34.098 1.00 0.00 H new ATOM 372 N GLN A 27 18.772 19.391 35.900 1.00 0.00 N ATOM 373 CA GLN A 27 18.095 18.469 36.835 1.00 0.00 C ATOM 374 C GLN A 27 16.672 18.057 36.382 1.00 0.00 C ATOM 375 O GLN A 27 16.032 17.196 36.974 1.00 0.00 O ATOM 376 CB GLN A 27 18.036 19.112 38.229 1.00 0.00 C ATOM 377 CG GLN A 27 17.012 20.258 38.321 1.00 0.00 C ATOM 378 CD GLN A 27 16.830 20.772 39.749 1.00 0.00 C ATOM 379 OE1 GLN A 27 16.899 20.033 40.723 1.00 0.00 O ATOM 380 NE2 GLN A 27 16.566 22.046 39.932 1.00 0.00 N ATOM 0 H GLN A 27 18.975 20.310 36.294 1.00 0.00 H new ATOM 0 HA GLN A 27 18.684 17.552 36.856 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.785 18.348 38.965 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.024 19.493 38.489 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.334 21.080 37.681 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.051 19.913 37.938 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.505 22.674 39.131 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.422 22.407 40.875 1.00 0.00 H new ATOM 389 N TYR A 28 16.172 18.720 35.341 1.00 0.00 N ATOM 390 CA TYR A 28 14.829 18.635 34.772 1.00 0.00 C ATOM 391 C TYR A 28 14.681 17.591 33.660 1.00 0.00 C ATOM 392 O TYR A 28 13.566 17.167 33.358 1.00 0.00 O ATOM 393 CB TYR A 28 14.557 20.014 34.159 1.00 0.00 C ATOM 394 CG TYR A 28 14.601 21.203 35.093 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.093 21.130 36.406 1.00 0.00 C ATOM 396 CD2 TYR A 28 15.186 22.394 34.624 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.230 22.232 37.269 1.00 0.00 C ATOM 398 CE2 TYR A 28 15.297 23.511 35.475 1.00 0.00 C ATOM 399 CZ TYR A 28 14.841 23.420 36.811 1.00 0.00 C ATOM 400 OH TYR A 28 14.999 24.447 37.684 1.00 0.00 O ATOM 0 H TYR A 28 16.747 19.389 34.830 1.00 0.00 H new ATOM 0 HA TYR A 28 14.137 18.339 35.561 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.284 20.181 33.364 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.573 19.988 33.690 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.601 20.232 36.748 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.551 22.452 33.609 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.867 22.170 38.284 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.728 24.432 35.110 1.00 0.00 H new ATOM 0 HH TYR A 28 15.435 25.198 37.230 1.00 0.00 H new ATOM 410 N GLY A 29 15.798 17.216 33.030 1.00 0.00 N ATOM 411 CA GLY A 29 15.838 16.312 31.868 1.00 0.00 C ATOM 412 C GLY A 29 15.877 17.023 30.503 1.00 0.00 C ATOM 413 O GLY A 29 15.819 16.362 29.465 1.00 0.00 O ATOM 0 H GLY A 29 16.722 17.538 33.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.715 15.670 31.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.963 15.662 31.900 1.00 0.00 H new ATOM 417 N LEU A 30 16.008 18.357 30.493 1.00 0.00 N ATOM 418 CA LEU A 30 16.185 19.188 29.303 1.00 0.00 C ATOM 419 C LEU A 30 17.614 19.052 28.833 1.00 0.00 C ATOM 420 O LEU A 30 18.524 19.642 29.406 1.00 0.00 O ATOM 421 CB LEU A 30 16.071 20.673 29.608 1.00 0.00 C ATOM 422 CG LEU A 30 14.693 21.287 29.704 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.099 20.683 30.927 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.969 22.737 30.010 1.00 0.00 C ATOM 0 H LEU A 30 15.992 18.906 31.353 1.00 0.00 H new ATOM 0 HA LEU A 30 15.425 18.866 28.591 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.582 20.857 30.553 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.621 21.213 28.837 1.00 0.00 H new ATOM 0 HG LEU A 30 14.059 21.151 28.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.093 21.075 31.074 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.054 19.600 30.813 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.715 20.931 31.791 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.026 23.276 30.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.521 22.812 30.947 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.560 23.173 29.204 1.00 0.00 H new ATOM 436 N THR A 31 17.796 18.349 27.746 1.00 0.00 N ATOM 437 CA THR A 31 19.095 18.226 27.127 1.00 0.00 C ATOM 438 C THR A 31 19.313 19.422 26.200 1.00 0.00 C ATOM 439 O THR A 31 18.537 19.671 25.274 1.00 0.00 O ATOM 440 CB THR A 31 19.311 16.894 26.419 1.00 0.00 C ATOM 441 OG1 THR A 31 19.402 15.857 27.368 1.00 0.00 O ATOM 442 CG2 THR A 31 20.648 17.030 25.712 1.00 0.00 C ATOM 0 H THR A 31 17.051 17.846 27.264 1.00 0.00 H new ATOM 0 HA THR A 31 19.849 18.234 27.914 1.00 0.00 H new ATOM 0 HB THR A 31 18.494 16.663 25.735 1.00 0.00 H new ATOM 0 HG1 THR A 31 19.539 15.003 26.907 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.873 16.107 25.178 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.602 17.857 25.003 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.430 17.224 26.446 1.00 0.00 H new ATOM 450 N TYR A 32 20.412 20.123 26.435 1.00 0.00 N ATOM 451 CA TYR A 32 20.891 21.299 25.734 1.00 0.00 C ATOM 452 C TYR A 32 22.373 21.148 25.340 1.00 0.00 C ATOM 453 O TYR A 32 23.111 20.337 25.902 1.00 0.00 O ATOM 454 CB TYR A 32 20.627 22.509 26.638 1.00 0.00 C ATOM 455 CG TYR A 32 20.950 22.304 28.107 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.297 22.243 28.474 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.953 22.160 29.093 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.655 22.283 29.833 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.291 22.088 30.450 1.00 0.00 C ATOM 460 CZ TYR A 32 21.648 22.223 30.830 1.00 0.00 C ATOM 461 OH TYR A 32 22.001 22.244 32.144 1.00 0.00 O ATOM 0 H TYR A 32 21.046 19.857 27.189 1.00 0.00 H new ATOM 0 HA TYR A 32 20.361 21.437 24.791 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.211 23.352 26.269 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.576 22.786 26.549 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.062 22.165 27.715 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.916 22.105 28.798 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.694 22.359 30.117 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.527 21.932 31.197 1.00 0.00 H new ATOM 0 HH TYR A 32 21.432 22.881 32.625 1.00 0.00 H new ATOM 471 N ARG A 33 22.827 21.947 24.370 1.00 0.00 N ATOM 472 CA ARG A 33 24.214 22.008 23.876 1.00 0.00 C ATOM 473 C ARG A 33 24.982 23.152 24.520 1.00 0.00 C ATOM 474 O ARG A 33 24.623 24.312 24.340 1.00 0.00 O ATOM 475 CB ARG A 33 24.203 22.206 22.358 1.00 0.00 C ATOM 476 CG ARG A 33 23.833 20.919 21.652 1.00 0.00 C ATOM 477 CD ARG A 33 23.715 21.091 20.141 1.00 0.00 C ATOM 478 NE ARG A 33 23.097 19.861 19.660 1.00 0.00 N ATOM 479 CZ ARG A 33 23.559 18.998 18.786 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.425 19.300 17.861 1.00 0.00 N ATOM 481 NH2 ARG A 33 23.155 17.770 18.859 1.00 0.00 N ATOM 0 H ARG A 33 22.213 22.600 23.883 1.00 0.00 H new ATOM 0 HA ARG A 33 24.708 21.072 24.136 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.492 22.989 22.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.185 22.541 22.023 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.585 20.160 21.870 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.886 20.552 22.047 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.107 21.960 19.891 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.693 21.244 19.685 1.00 0.00 H new ATOM 0 HE ARG A 33 22.183 19.642 20.056 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.782 20.253 17.788 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.746 18.584 17.210 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.493 17.493 19.584 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.499 17.079 18.192 1.00 0.00 H new ATOM 495 N THR A 34 26.042 22.818 25.244 1.00 0.00 N ATOM 496 CA THR A 34 26.852 23.759 26.035 1.00 0.00 C ATOM 497 C THR A 34 28.345 23.474 25.959 1.00 0.00 C ATOM 498 O THR A 34 28.766 22.322 26.036 1.00 0.00 O ATOM 499 CB THR A 34 26.419 23.735 27.504 1.00 0.00 C ATOM 500 OG1 THR A 34 26.294 22.411 27.990 1.00 0.00 O ATOM 501 CG2 THR A 34 25.056 24.409 27.632 1.00 0.00 C ATOM 0 H THR A 34 26.379 21.857 25.304 1.00 0.00 H new ATOM 0 HA THR A 34 26.679 24.743 25.600 1.00 0.00 H new ATOM 0 HB THR A 34 27.181 24.256 28.084 1.00 0.00 H new ATOM 0 HG1 THR A 34 25.506 22.348 28.569 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.740 24.396 28.675 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.126 25.441 27.287 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.326 23.872 27.025 1.00 0.00 H new ATOM 509 N CYS A 35 29.151 24.522 25.820 1.00 0.00 N ATOM 510 CA CYS A 35 30.603 24.385 25.626 1.00 0.00 C ATOM 511 C CYS A 35 31.331 23.815 26.872 1.00 0.00 C ATOM 512 O CYS A 35 31.297 24.424 27.941 1.00 0.00 O ATOM 513 CB CYS A 35 31.183 25.747 25.228 1.00 0.00 C ATOM 514 SG CYS A 35 30.465 26.571 23.777 1.00 0.00 S ATOM 0 H CYS A 35 28.825 25.488 25.838 1.00 0.00 H new ATOM 0 HA CYS A 35 30.767 23.660 24.829 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.082 26.418 26.081 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.250 25.619 25.048 1.00 0.00 H new ATOM 519 N ASN A 36 32.017 22.668 26.749 1.00 0.00 N ATOM 520 CA ASN A 36 32.852 22.055 27.792 1.00 0.00 C ATOM 521 C ASN A 36 34.332 22.011 27.340 1.00 0.00 C ATOM 522 O ASN A 36 34.677 22.210 26.175 1.00 0.00 O ATOM 523 CB ASN A 36 32.345 20.622 28.138 1.00 0.00 C ATOM 524 CG ASN A 36 33.047 20.041 29.367 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.293 20.712 30.359 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.507 18.814 29.328 1.00 0.00 N ATOM 0 H ASN A 36 32.004 22.122 25.888 1.00 0.00 H new ATOM 0 HA ASN A 36 32.780 22.667 28.691 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.270 20.652 28.316 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.508 19.965 27.284 1.00 0.00 H new ATOM 0 HD21 ASN A 36 34.051 18.448 30.110 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.321 18.225 28.516 1.00 0.00 H new ATOM 533 N LEU A 37 35.235 21.716 28.271 1.00 0.00 N ATOM 534 CA LEU A 37 36.650 21.511 28.011 1.00 0.00 C ATOM 535 C LEU A 37 36.929 20.143 27.348 1.00 0.00 C ATOM 536 O LEU A 37 37.991 19.973 26.758 1.00 0.00 O ATOM 537 CB LEU A 37 37.383 21.596 29.370 1.00 0.00 C ATOM 538 CG LEU A 37 37.766 22.933 29.975 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.758 23.574 29.039 1.00 0.00 C ATOM 540 CD2 LEU A 37 36.531 23.754 30.230 1.00 0.00 C ATOM 0 H LEU A 37 34.991 21.611 29.256 1.00 0.00 H new ATOM 0 HA LEU A 37 37.003 22.273 27.316 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.758 21.083 30.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 38.301 21.016 29.273 1.00 0.00 H new ATOM 0 HG LEU A 37 38.242 22.830 30.950 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.061 24.542 29.438 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.633 22.932 28.941 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.298 23.713 28.061 1.00 0.00 H new ATOM 0 HD21 LEU A 37 36.815 24.713 30.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.006 23.923 29.290 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.877 23.222 30.921 1.00 0.00 H new ATOM 552 N LEU A 38 36.000 19.178 27.449 1.00 0.00 N ATOM 553 CA LEU A 38 36.124 17.781 26.997 1.00 0.00 C ATOM 554 C LEU A 38 34.793 17.147 26.531 1.00 0.00 C ATOM 555 O LEU A 38 33.733 17.708 26.830 1.00 0.00 O ATOM 556 CB LEU A 38 36.687 16.978 28.186 1.00 0.00 C ATOM 557 CG LEU A 38 38.144 17.241 28.545 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.443 16.441 29.807 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.981 16.792 27.368 1.00 0.00 C ATOM 0 H LEU A 38 35.090 19.362 27.872 1.00 0.00 H new ATOM 0 HA LEU A 38 36.776 17.762 26.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.075 17.189 29.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.574 15.916 27.967 1.00 0.00 H new ATOM 0 HG LEU A 38 38.362 18.291 28.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.480 16.600 30.102 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.783 16.769 30.610 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.280 15.381 29.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 40.035 16.964 27.585 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.816 15.730 27.188 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.696 17.359 26.482 1.00 0.00 H new ATOM 571 N PRO A 39 34.824 15.999 25.816 1.00 0.00 N ATOM 572 CA PRO A 39 33.623 15.299 25.350 1.00 0.00 C ATOM 573 C PRO A 39 32.919 14.503 26.468 1.00 0.00 C ATOM 574 O PRO A 39 32.089 13.620 26.154 1.00 0.00 O ATOM 575 CB PRO A 39 34.121 14.415 24.198 1.00 0.00 C ATOM 576 CG PRO A 39 35.517 14.018 24.661 1.00 0.00 C ATOM 577 CD PRO A 39 36.015 15.275 25.375 1.00 0.00 C ATOM 0 HA PRO A 39 32.848 15.992 25.021 1.00 0.00 H new ATOM 0 HB2 PRO A 39 33.481 13.545 24.049 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.147 14.958 23.253 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.491 13.158 25.330 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.159 13.750 23.822 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.648 15.015 26.224 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.617 15.889 24.705 1.00 0.00 H new TER 585 PRO A 39