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 Single : A 1 LEU N :NH3+ 151:sc= 0.0839 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0041) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 32:sc= 0.917 USER MOD Single : A 9 ASN : amide:sc= 1.3 K(o=1.3,f=-2.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 150:sc= -0.0447 USER MOD Single : A 19 GLN :FLIP amide:sc= 0.608 F(o=0,f=0.61) USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -1.36 (180deg=-1.88!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -74:sc= -0.18 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 110:sc= 0.00811 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.527 32.995 27.173 1.00 0.00 N ATOM 2 CA LEU A 1 33.159 31.878 27.916 1.00 0.00 C ATOM 3 C LEU A 1 32.262 30.638 27.846 1.00 0.00 C ATOM 4 O LEU A 1 31.122 30.742 27.404 1.00 0.00 O ATOM 5 CB LEU A 1 33.498 32.294 29.366 1.00 0.00 C ATOM 6 CG LEU A 1 34.992 32.413 29.660 1.00 0.00 C ATOM 7 CD1 LEU A 1 35.603 31.021 29.604 1.00 0.00 C ATOM 8 CD2 LEU A 1 35.666 33.390 28.709 1.00 0.00 C ATOM 0 H1 LEU A 1 32.821 33.901 27.591 1.00 0.00 H new ATOM 0 H2 LEU A 1 32.824 32.961 26.177 1.00 0.00 H new ATOM 0 H3 LEU A 1 31.492 32.908 27.229 1.00 0.00 H new ATOM 0 HA LEU A 1 34.109 31.623 27.447 1.00 0.00 H new ATOM 0 HB2 LEU A 1 33.022 33.252 29.576 1.00 0.00 H new ATOM 0 HB3 LEU A 1 33.063 31.565 30.050 1.00 0.00 H new ATOM 0 HG LEU A 1 35.148 32.822 30.658 1.00 0.00 H new ATOM 0 HD11 LEU A 1 36.671 31.084 29.811 1.00 0.00 H new ATOM 0 HD12 LEU A 1 35.126 30.384 30.349 1.00 0.00 H new ATOM 0 HD13 LEU A 1 35.451 30.596 28.612 1.00 0.00 H new ATOM 0 HD21 LEU A 1 36.728 33.452 28.944 1.00 0.00 H new ATOM 0 HD22 LEU A 1 35.541 33.044 27.683 1.00 0.00 H new ATOM 0 HD23 LEU A 1 35.212 34.375 28.817 1.00 0.00 H new ATOM 20 N CYS A 2 32.766 29.470 28.244 1.00 0.00 N ATOM 21 CA CYS A 2 32.085 28.172 28.138 1.00 0.00 C ATOM 22 C CYS A 2 30.888 27.986 29.101 1.00 0.00 C ATOM 23 O CYS A 2 30.973 27.254 30.088 1.00 0.00 O ATOM 24 CB CYS A 2 33.146 27.075 28.302 1.00 0.00 C ATOM 25 SG CYS A 2 34.541 27.281 27.166 1.00 0.00 S ATOM 0 H CYS A 2 33.692 29.395 28.664 1.00 0.00 H new ATOM 0 HA CYS A 2 31.618 28.113 27.155 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.514 27.081 29.328 1.00 0.00 H new ATOM 0 HB3 CYS A 2 32.686 26.101 28.134 1.00 0.00 H new ATOM 30 N ASN A 3 29.770 28.649 28.792 1.00 0.00 N ATOM 31 CA ASN A 3 28.514 28.605 29.546 1.00 0.00 C ATOM 32 C ASN A 3 27.278 28.501 28.635 1.00 0.00 C ATOM 33 O ASN A 3 26.439 27.625 28.830 1.00 0.00 O ATOM 34 CB ASN A 3 28.432 29.852 30.441 1.00 0.00 C ATOM 35 CG ASN A 3 27.251 29.749 31.383 1.00 0.00 C ATOM 36 OD1 ASN A 3 27.290 28.991 32.341 1.00 0.00 O ATOM 37 ND2 ASN A 3 26.179 30.469 31.160 1.00 0.00 N ATOM 0 H ASN A 3 29.713 29.257 27.975 1.00 0.00 H new ATOM 0 HA ASN A 3 28.513 27.703 30.157 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.354 29.958 31.013 1.00 0.00 H new ATOM 0 HB3 ASN A 3 28.336 30.745 29.823 1.00 0.00 H new ATOM 0 HD21 ASN A 3 25.377 30.397 31.786 1.00 0.00 H new ATOM 0 HD22 ASN A 3 26.147 31.102 30.360 1.00 0.00 H new ATOM 44 N GLU A 4 27.172 29.415 27.668 1.00 0.00 N ATOM 45 CA GLU A 4 26.025 29.553 26.765 1.00 0.00 C ATOM 46 C GLU A 4 25.782 28.333 25.849 1.00 0.00 C ATOM 47 O GLU A 4 26.686 27.514 25.635 1.00 0.00 O ATOM 48 CB GLU A 4 26.223 30.821 25.911 1.00 0.00 C ATOM 49 CG GLU A 4 26.098 32.161 26.654 1.00 0.00 C ATOM 50 CD GLU A 4 25.127 32.177 27.844 1.00 0.00 C ATOM 51 OE1 GLU A 4 23.897 32.250 27.617 1.00 0.00 O ATOM 52 OE2 GLU A 4 25.615 32.113 28.996 1.00 0.00 O ATOM 0 H GLU A 4 27.904 30.101 27.485 1.00 0.00 H new ATOM 0 HA GLU A 4 25.136 29.625 27.392 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.210 30.774 25.451 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.493 30.808 25.102 1.00 0.00 H new ATOM 0 HG2 GLU A 4 27.086 32.450 27.012 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.782 32.922 25.941 1.00 0.00 H new ATOM 59 N PRO A 5 24.566 28.215 25.275 1.00 0.00 N ATOM 60 CA PRO A 5 24.228 27.143 24.341 1.00 0.00 C ATOM 61 C PRO A 5 24.956 27.285 22.994 1.00 0.00 C ATOM 62 O PRO A 5 25.031 28.376 22.428 1.00 0.00 O ATOM 63 CB PRO A 5 22.706 27.218 24.176 1.00 0.00 C ATOM 64 CG PRO A 5 22.386 28.688 24.448 1.00 0.00 C ATOM 65 CD PRO A 5 23.398 29.059 25.528 1.00 0.00 C ATOM 0 HA PRO A 5 24.548 26.173 24.723 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.396 26.919 23.175 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.194 26.560 24.878 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.505 29.300 23.554 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.360 28.822 24.791 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.659 30.116 25.475 1.00 0.00 H new ATOM 0 HD3 PRO A 5 22.993 28.880 26.524 1.00 0.00 H new ATOM 73 N CYS A 6 25.442 26.164 22.454 1.00 0.00 N ATOM 74 CA CYS A 6 26.174 26.096 21.176 1.00 0.00 C ATOM 75 C CYS A 6 25.399 25.378 20.052 1.00 0.00 C ATOM 76 O CYS A 6 24.477 24.592 20.293 1.00 0.00 O ATOM 77 CB CYS A 6 27.505 25.352 21.417 1.00 0.00 C ATOM 78 SG CYS A 6 27.483 23.591 20.948 1.00 0.00 S ATOM 0 H CYS A 6 25.337 25.253 22.901 1.00 0.00 H new ATOM 0 HA CYS A 6 26.330 27.122 20.841 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.294 25.854 20.857 1.00 0.00 H new ATOM 0 HB3 CYS A 6 27.764 25.430 22.473 1.00 0.00 H new ATOM 83 N SER A 7 25.832 25.599 18.807 1.00 0.00 N ATOM 84 CA SER A 7 25.333 24.890 17.621 1.00 0.00 C ATOM 85 C SER A 7 26.062 23.537 17.484 1.00 0.00 C ATOM 86 O SER A 7 25.441 22.476 17.366 1.00 0.00 O ATOM 87 CB SER A 7 25.563 25.753 16.375 1.00 0.00 C ATOM 88 OG SER A 7 25.073 25.086 15.225 1.00 0.00 O ATOM 0 H SER A 7 26.552 26.288 18.590 1.00 0.00 H new ATOM 0 HA SER A 7 24.264 24.703 17.726 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.060 26.713 16.490 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.626 25.962 16.259 1.00 0.00 H new ATOM 0 HG SER A 7 25.223 25.645 14.434 1.00 0.00 H new ATOM 94 N SER A 8 27.400 23.573 17.503 1.00 0.00 N ATOM 95 CA SER A 8 28.356 22.455 17.397 1.00 0.00 C ATOM 96 C SER A 8 29.764 22.920 17.825 1.00 0.00 C ATOM 97 O SER A 8 29.940 24.076 18.203 1.00 0.00 O ATOM 98 CB SER A 8 28.374 21.940 15.951 1.00 0.00 C ATOM 99 OG SER A 8 27.208 21.183 15.711 1.00 0.00 O ATOM 0 H SER A 8 27.888 24.463 17.602 1.00 0.00 H new ATOM 0 HA SER A 8 28.048 21.646 18.059 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.427 22.777 15.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.260 21.328 15.782 1.00 0.00 H new ATOM 0 HG SER A 8 26.471 21.538 16.251 1.00 0.00 H new ATOM 105 N ASN A 9 30.786 22.053 17.761 1.00 0.00 N ATOM 106 CA ASN A 9 32.167 22.294 18.227 1.00 0.00 C ATOM 107 C ASN A 9 32.742 23.669 17.849 1.00 0.00 C ATOM 108 O ASN A 9 33.281 24.371 18.705 1.00 0.00 O ATOM 109 CB ASN A 9 33.107 21.197 17.685 1.00 0.00 C ATOM 110 CG ASN A 9 32.604 19.792 17.974 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.609 19.351 17.427 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.243 19.062 18.853 1.00 0.00 N ATOM 0 H ASN A 9 30.670 21.120 17.365 1.00 0.00 H new ATOM 0 HA ASN A 9 32.109 22.270 19.315 1.00 0.00 H new ATOM 0 HB2 ASN A 9 33.221 21.322 16.608 1.00 0.00 H new ATOM 0 HB3 ASN A 9 34.096 21.322 18.127 1.00 0.00 H new ATOM 0 HD21 ASN A 9 32.907 18.126 19.079 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.076 19.430 19.312 1.00 0.00 H new ATOM 119 N SER A 10 32.642 24.060 16.575 1.00 0.00 N ATOM 120 CA SER A 10 33.247 25.298 16.067 1.00 0.00 C ATOM 121 C SER A 10 32.633 26.596 16.617 1.00 0.00 C ATOM 122 O SER A 10 33.190 27.670 16.414 1.00 0.00 O ATOM 123 CB SER A 10 33.375 25.277 14.542 1.00 0.00 C ATOM 124 OG SER A 10 33.988 24.073 14.110 1.00 0.00 O ATOM 0 H SER A 10 32.139 23.528 15.865 1.00 0.00 H new ATOM 0 HA SER A 10 34.258 25.315 16.474 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.389 25.373 14.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.964 26.131 14.209 1.00 0.00 H new ATOM 0 HG SER A 10 34.061 24.075 13.133 1.00 0.00 H new ATOM 130 N ASP A 11 31.536 26.501 17.373 1.00 0.00 N ATOM 131 CA ASP A 11 30.886 27.604 18.097 1.00 0.00 C ATOM 132 C ASP A 11 31.548 27.834 19.484 1.00 0.00 C ATOM 133 O ASP A 11 31.167 28.739 20.227 1.00 0.00 O ATOM 134 CB ASP A 11 29.401 27.229 18.273 1.00 0.00 C ATOM 135 CG ASP A 11 28.409 28.394 18.293 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.799 29.582 18.210 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.198 28.071 18.335 1.00 0.00 O ATOM 0 H ASP A 11 31.052 25.613 17.505 1.00 0.00 H new ATOM 0 HA ASP A 11 30.990 28.531 17.533 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.120 26.553 17.465 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.296 26.673 19.205 1.00 0.00 H new ATOM 142 N CYS A 12 32.543 27.005 19.841 1.00 0.00 N ATOM 143 CA CYS A 12 33.233 26.967 21.138 1.00 0.00 C ATOM 144 C CYS A 12 34.761 26.840 20.996 1.00 0.00 C ATOM 145 O CYS A 12 35.495 27.085 21.952 1.00 0.00 O ATOM 146 CB CYS A 12 32.754 25.738 21.931 1.00 0.00 C ATOM 147 SG CYS A 12 30.991 25.499 22.277 1.00 0.00 S ATOM 0 H CYS A 12 32.907 26.305 19.195 1.00 0.00 H new ATOM 0 HA CYS A 12 33.001 27.905 21.642 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.100 24.854 21.395 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.272 25.752 22.890 1.00 0.00 H new ATOM 152 N ILE A 13 35.251 26.438 19.819 1.00 0.00 N ATOM 153 CA ILE A 13 36.650 26.352 19.428 1.00 0.00 C ATOM 154 C ILE A 13 37.266 27.763 19.443 1.00 0.00 C ATOM 155 O ILE A 13 36.593 28.740 19.125 1.00 0.00 O ATOM 156 CB ILE A 13 36.645 25.738 18.021 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.598 24.208 18.161 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.836 26.143 17.176 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.494 23.453 16.844 1.00 0.00 C ATOM 0 H ILE A 13 34.630 26.144 19.065 1.00 0.00 H new ATOM 0 HA ILE A 13 37.249 25.742 20.104 1.00 0.00 H new ATOM 0 HB ILE A 13 35.766 26.118 17.500 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.495 23.877 18.684 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.747 23.940 18.786 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.764 25.671 16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.846 27.226 17.057 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.756 25.823 17.666 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.467 22.381 17.040 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.583 23.750 16.325 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.358 23.686 16.222 1.00 0.00 H new ATOM 171 N GLY A 14 38.562 27.869 19.733 1.00 0.00 N ATOM 172 CA GLY A 14 39.347 29.113 19.682 1.00 0.00 C ATOM 173 C GLY A 14 39.020 30.142 20.773 1.00 0.00 C ATOM 174 O GLY A 14 39.938 30.602 21.456 1.00 0.00 O ATOM 0 H GLY A 14 39.119 27.065 20.021 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.405 28.859 19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.195 29.579 18.709 1.00 0.00 H new ATOM 178 N ILE A 15 37.735 30.483 20.957 1.00 0.00 N ATOM 179 CA ILE A 15 37.202 31.494 21.891 1.00 0.00 C ATOM 180 C ILE A 15 37.576 31.183 23.339 1.00 0.00 C ATOM 181 O ILE A 15 37.684 32.065 24.190 1.00 0.00 O ATOM 182 CB ILE A 15 35.685 31.725 21.661 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.710 30.549 21.895 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.485 32.075 20.183 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.604 30.091 23.339 1.00 0.00 C ATOM 0 H ILE A 15 36.991 30.033 20.424 1.00 0.00 H new ATOM 0 HA ILE A 15 37.682 32.449 21.676 1.00 0.00 H new ATOM 0 HB ILE A 15 35.444 32.486 22.403 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.719 30.841 21.547 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.027 29.705 21.283 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.426 32.244 19.989 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.046 32.978 19.944 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.841 31.252 19.563 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.898 29.263 23.407 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.583 29.763 23.690 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.255 30.917 23.958 1.00 0.00 H new ATOM 197 N THR A 16 37.770 29.899 23.614 1.00 0.00 N ATOM 198 CA THR A 16 38.239 29.229 24.805 1.00 0.00 C ATOM 199 C THR A 16 38.664 27.806 24.352 1.00 0.00 C ATOM 200 O THR A 16 38.293 27.349 23.273 1.00 0.00 O ATOM 201 CB THR A 16 37.104 29.189 25.832 1.00 0.00 C ATOM 202 OG1 THR A 16 36.633 30.477 26.164 1.00 0.00 O ATOM 203 CG2 THR A 16 37.633 28.589 27.109 1.00 0.00 C ATOM 0 H THR A 16 37.569 29.208 22.891 1.00 0.00 H new ATOM 0 HA THR A 16 39.080 29.737 25.278 1.00 0.00 H new ATOM 0 HB THR A 16 36.292 28.610 25.391 1.00 0.00 H new ATOM 0 HG1 THR A 16 35.683 30.427 26.400 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.836 28.553 27.852 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.993 27.579 26.914 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.453 29.200 27.486 1.00 0.00 H new ATOM 211 N LEU A 17 39.421 27.062 25.159 1.00 0.00 N ATOM 212 CA LEU A 17 39.890 25.686 24.919 1.00 0.00 C ATOM 213 C LEU A 17 38.783 24.593 24.938 1.00 0.00 C ATOM 214 O LEU A 17 39.091 23.413 25.069 1.00 0.00 O ATOM 215 CB LEU A 17 40.957 25.404 25.996 1.00 0.00 C ATOM 216 CG LEU A 17 42.120 26.405 26.047 1.00 0.00 C ATOM 217 CD1 LEU A 17 42.721 26.276 27.434 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.141 26.057 24.976 1.00 0.00 C ATOM 0 H LEU A 17 39.747 27.422 26.056 1.00 0.00 H new ATOM 0 HA LEU A 17 40.283 25.630 23.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.470 25.389 26.971 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.365 24.407 25.828 1.00 0.00 H new ATOM 0 HG LEU A 17 41.792 27.427 25.860 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.558 26.967 27.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 41.964 26.513 28.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.073 25.255 27.585 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.965 26.769 25.014 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.522 25.051 25.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.669 26.101 23.995 1.00 0.00 H new ATOM 230 N CYS A 18 37.504 24.941 24.773 1.00 0.00 N ATOM 231 CA CYS A 18 36.344 24.045 24.907 1.00 0.00 C ATOM 232 C CYS A 18 35.853 23.488 23.559 1.00 0.00 C ATOM 233 O CYS A 18 34.702 23.695 23.172 1.00 0.00 O ATOM 234 CB CYS A 18 35.216 24.814 25.613 1.00 0.00 C ATOM 235 SG CYS A 18 35.617 25.556 27.213 1.00 0.00 S ATOM 0 H CYS A 18 37.233 25.894 24.532 1.00 0.00 H new ATOM 0 HA CYS A 18 36.651 23.180 25.495 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.875 25.606 24.946 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.377 24.133 25.754 1.00 0.00 H new ATOM 240 N GLN A 19 36.708 22.783 22.811 1.00 0.00 N ATOM 241 CA GLN A 19 36.349 22.306 21.464 1.00 0.00 C ATOM 242 C GLN A 19 35.314 21.173 21.421 1.00 0.00 C ATOM 243 O GLN A 19 34.948 20.727 20.336 1.00 0.00 O ATOM 244 CB GLN A 19 37.577 21.948 20.629 1.00 0.00 C ATOM 245 CG GLN A 19 38.564 20.971 21.249 1.00 0.00 C ATOM 246 CD GLN A 19 39.731 20.688 20.303 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.523 21.683 19.959 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 39.928 19.576 19.838 1.00 0.00 N flip ATOM 0 H GLN A 19 37.650 22.529 23.110 1.00 0.00 H new ATOM 0 HA GLN A 19 35.854 23.166 21.014 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.235 21.531 19.682 1.00 0.00 H new ATOM 0 HB3 GLN A 19 38.111 22.869 20.397 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.943 21.379 22.186 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.054 20.039 21.490 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.320 18.799 20.098 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.700 19.424 19.189 1.00 0.00 H new ATOM 257 N PHE A 20 34.815 20.697 22.558 1.00 0.00 N ATOM 258 CA PHE A 20 33.914 19.554 22.622 1.00 0.00 C ATOM 259 C PHE A 20 32.570 19.949 23.233 1.00 0.00 C ATOM 260 O PHE A 20 32.342 19.864 24.436 1.00 0.00 O ATOM 261 CB PHE A 20 34.631 18.429 23.357 1.00 0.00 C ATOM 262 CG PHE A 20 35.967 18.041 22.747 1.00 0.00 C ATOM 263 CD1 PHE A 20 36.037 17.392 21.503 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.162 18.308 23.432 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.287 17.053 20.954 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.405 17.897 22.926 1.00 0.00 C ATOM 267 CZ PHE A 20 38.477 17.280 21.668 1.00 0.00 C ATOM 0 H PHE A 20 35.028 21.100 23.471 1.00 0.00 H new ATOM 0 HA PHE A 20 33.664 19.192 21.625 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.790 18.730 24.392 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.984 17.552 23.376 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.130 17.153 20.968 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.125 18.842 24.370 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.333 16.612 19.969 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.304 18.055 23.504 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.430 16.984 21.255 1.00 0.00 H new ATOM 277 N CYS A 21 31.665 20.440 22.389 1.00 0.00 N ATOM 278 CA CYS A 21 30.336 20.849 22.840 1.00 0.00 C ATOM 279 C CYS A 21 29.459 19.631 23.206 1.00 0.00 C ATOM 280 O CYS A 21 28.999 18.885 22.340 1.00 0.00 O ATOM 281 CB CYS A 21 29.690 21.764 21.806 1.00 0.00 C ATOM 282 SG CYS A 21 28.244 22.571 22.509 1.00 0.00 S ATOM 0 H CYS A 21 31.827 20.564 21.390 1.00 0.00 H new ATOM 0 HA CYS A 21 30.437 21.424 23.761 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.408 22.513 21.473 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.402 21.186 20.928 1.00 0.00 H new ATOM 287 N LYS A 22 29.283 19.404 24.509 1.00 0.00 N ATOM 288 CA LYS A 22 28.595 18.273 25.142 1.00 0.00 C ATOM 289 C LYS A 22 27.081 18.425 25.189 1.00 0.00 C ATOM 290 O LYS A 22 26.564 19.506 25.465 1.00 0.00 O ATOM 291 CB LYS A 22 29.097 18.163 26.600 1.00 0.00 C ATOM 292 CG LYS A 22 30.155 17.084 26.779 1.00 0.00 C ATOM 293 CD LYS A 22 29.571 15.665 26.776 1.00 0.00 C ATOM 294 CE LYS A 22 30.567 14.666 27.390 1.00 0.00 C ATOM 295 NZ LYS A 22 31.856 14.641 26.657 1.00 0.00 N ATOM 0 H LYS A 22 29.645 20.056 25.205 1.00 0.00 H new ATOM 0 HA LYS A 22 28.817 17.390 24.543 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.508 19.123 26.912 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.252 17.950 27.255 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.892 17.169 25.980 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.682 17.252 27.718 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.638 15.649 27.340 1.00 0.00 H new ATOM 0 HD3 LYS A 22 29.332 15.367 25.755 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.748 14.930 28.432 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.128 13.668 27.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.318 13.720 26.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.681 14.788 25.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.474 15.397 27.015 1.00 0.00 H new ATOM 309 N GLU A 23 26.384 17.305 25.011 1.00 0.00 N ATOM 310 CA GLU A 23 24.938 17.198 25.158 1.00 0.00 C ATOM 311 C GLU A 23 24.658 16.637 26.557 1.00 0.00 C ATOM 312 O GLU A 23 24.937 15.466 26.838 1.00 0.00 O ATOM 313 CB GLU A 23 24.317 16.332 24.046 1.00 0.00 C ATOM 314 CG GLU A 23 22.808 16.354 24.075 1.00 0.00 C ATOM 315 CD GLU A 23 22.181 15.272 23.172 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.994 15.527 21.958 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.885 14.167 23.691 1.00 0.00 O ATOM 0 H GLU A 23 26.825 16.422 24.753 1.00 0.00 H new ATOM 0 HA GLU A 23 24.472 18.178 25.055 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.664 16.687 23.076 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.665 15.304 24.152 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.466 16.209 25.100 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.457 17.336 23.757 1.00 0.00 H new ATOM 324 N LYS A 24 24.169 17.492 27.453 1.00 0.00 N ATOM 325 CA LYS A 24 23.753 17.143 28.816 1.00 0.00 C ATOM 326 C LYS A 24 22.511 17.907 29.215 1.00 0.00 C ATOM 327 O LYS A 24 22.060 18.800 28.503 1.00 0.00 O ATOM 328 CB LYS A 24 24.909 17.401 29.805 1.00 0.00 C ATOM 329 CG LYS A 24 25.208 18.867 30.146 1.00 0.00 C ATOM 330 CD LYS A 24 25.541 19.046 31.647 1.00 0.00 C ATOM 331 CE LYS A 24 26.477 20.236 31.779 1.00 0.00 C ATOM 332 NZ LYS A 24 26.789 20.587 33.188 1.00 0.00 N ATOM 0 H LYS A 24 24.046 18.483 27.245 1.00 0.00 H new ATOM 0 HA LYS A 24 23.507 16.082 28.844 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.687 16.874 30.733 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.815 16.955 29.394 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.045 19.218 29.543 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.348 19.484 29.887 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.630 19.211 32.223 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.010 18.146 32.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.406 20.018 31.252 1.00 0.00 H new ATOM 0 HE3 LYS A 24 26.027 21.099 31.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.431 21.405 33.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.909 20.824 33.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.246 19.777 33.654 1.00 0.00 H new ATOM 346 N THR A 25 21.988 17.568 30.381 1.00 0.00 N ATOM 347 CA THR A 25 20.875 18.283 30.981 1.00 0.00 C ATOM 348 C THR A 25 21.193 18.674 32.400 1.00 0.00 C ATOM 349 O THR A 25 22.097 18.146 33.043 1.00 0.00 O ATOM 350 CB THR A 25 19.547 17.542 30.870 1.00 0.00 C ATOM 351 OG1 THR A 25 18.495 18.176 31.551 1.00 0.00 O ATOM 352 CG2 THR A 25 19.530 16.224 31.548 1.00 0.00 C ATOM 0 H THR A 25 22.325 16.785 30.941 1.00 0.00 H new ATOM 0 HA THR A 25 20.740 19.196 30.401 1.00 0.00 H new ATOM 0 HB THR A 25 19.429 17.491 29.788 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.607 18.050 32.516 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.551 15.763 31.422 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.293 15.580 31.111 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.734 16.359 32.610 1.00 0.00 H new ATOM 360 N ASP A 26 20.387 19.609 32.865 1.00 0.00 N ATOM 361 CA ASP A 26 20.361 20.079 34.227 1.00 0.00 C ATOM 362 C ASP A 26 19.260 19.272 34.936 1.00 0.00 C ATOM 363 O ASP A 26 18.588 18.418 34.344 1.00 0.00 O ATOM 364 CB ASP A 26 20.135 21.598 34.290 1.00 0.00 C ATOM 365 CG ASP A 26 21.030 22.137 35.405 1.00 0.00 C ATOM 366 OD1 ASP A 26 20.687 21.916 36.588 1.00 0.00 O ATOM 367 OD2 ASP A 26 22.129 22.631 35.060 1.00 0.00 O ATOM 0 H ASP A 26 19.703 20.080 32.272 1.00 0.00 H new ATOM 0 HA ASP A 26 21.316 19.924 34.728 1.00 0.00 H new ATOM 0 HB2 ASP A 26 20.383 22.065 33.337 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.088 21.824 34.493 1.00 0.00 H new ATOM 372 N GLN A 27 19.026 19.588 36.197 1.00 0.00 N ATOM 373 CA GLN A 27 18.100 18.868 37.093 1.00 0.00 C ATOM 374 C GLN A 27 16.616 18.856 36.659 1.00 0.00 C ATOM 375 O GLN A 27 15.771 18.252 37.312 1.00 0.00 O ATOM 376 CB GLN A 27 18.239 19.447 38.507 1.00 0.00 C ATOM 377 CG GLN A 27 17.663 20.867 38.605 1.00 0.00 C ATOM 378 CD GLN A 27 17.783 21.401 40.032 1.00 0.00 C ATOM 379 OE1 GLN A 27 18.751 22.055 40.401 1.00 0.00 O ATOM 380 NE2 GLN A 27 16.843 21.097 40.902 1.00 0.00 N ATOM 0 H GLN A 27 19.484 20.377 36.653 1.00 0.00 H new ATOM 0 HA GLN A 27 18.396 17.820 37.052 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.726 18.798 39.217 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.291 19.462 38.791 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.192 21.528 37.918 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.617 20.862 38.300 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.032 20.553 40.607 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.926 21.405 41.871 1.00 0.00 H new ATOM 389 N TYR A 28 16.303 19.565 35.577 1.00 0.00 N ATOM 390 CA TYR A 28 14.976 19.757 34.999 1.00 0.00 C ATOM 391 C TYR A 28 14.648 18.726 33.907 1.00 0.00 C ATOM 392 O TYR A 28 13.475 18.472 33.638 1.00 0.00 O ATOM 393 CB TYR A 28 14.989 21.152 34.363 1.00 0.00 C ATOM 394 CG TYR A 28 15.271 22.328 35.271 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.701 22.419 36.551 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.101 23.364 34.795 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.977 23.536 37.366 1.00 0.00 C ATOM 398 CE2 TYR A 28 16.366 24.492 35.594 1.00 0.00 C ATOM 399 CZ TYR A 28 15.805 24.575 36.896 1.00 0.00 C ATOM 400 OH TYR A 28 16.035 25.642 37.709 1.00 0.00 O ATOM 0 H TYR A 28 17.021 20.055 35.044 1.00 0.00 H new ATOM 0 HA TYR A 28 14.223 19.642 35.779 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.735 21.153 33.569 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.020 21.316 33.891 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.052 21.634 36.911 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.537 23.291 33.810 1.00 0.00 H new ATOM 0 HE1 TYR A 28 14.551 23.596 38.357 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.992 25.289 35.220 1.00 0.00 H new ATOM 0 HH TYR A 28 16.624 26.279 37.254 1.00 0.00 H new ATOM 410 N GLY A 29 15.680 18.150 33.283 1.00 0.00 N ATOM 411 CA GLY A 29 15.559 17.238 32.130 1.00 0.00 C ATOM 412 C GLY A 29 15.692 17.918 30.749 1.00 0.00 C ATOM 413 O GLY A 29 15.527 17.284 29.708 1.00 0.00 O ATOM 0 H GLY A 29 16.647 18.305 33.568 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.323 16.465 32.214 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.592 16.737 32.181 1.00 0.00 H new ATOM 417 N LEU A 30 16.026 19.214 30.720 1.00 0.00 N ATOM 418 CA LEU A 30 16.304 19.986 29.511 1.00 0.00 C ATOM 419 C LEU A 30 17.678 19.620 29.001 1.00 0.00 C ATOM 420 O LEU A 30 18.698 20.044 29.535 1.00 0.00 O ATOM 421 CB LEU A 30 16.430 21.475 29.790 1.00 0.00 C ATOM 422 CG LEU A 30 15.160 22.292 29.881 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.472 21.790 31.102 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.656 23.686 30.175 1.00 0.00 C ATOM 0 H LEU A 30 16.112 19.770 31.571 1.00 0.00 H new ATOM 0 HA LEU A 30 15.485 19.773 28.824 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.971 21.594 30.729 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.051 21.910 29.007 1.00 0.00 H new ATOM 0 HG LEU A 30 14.512 22.249 29.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.537 22.333 31.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.261 20.727 30.989 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.114 21.943 31.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.807 24.364 30.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.215 23.684 31.111 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.306 24.019 29.366 1.00 0.00 H new ATOM 436 N THR A 31 17.709 18.913 27.902 1.00 0.00 N ATOM 437 CA THR A 31 18.962 18.604 27.260 1.00 0.00 C ATOM 438 C THR A 31 19.334 19.796 26.403 1.00 0.00 C ATOM 439 O THR A 31 18.545 20.294 25.600 1.00 0.00 O ATOM 440 CB THR A 31 18.931 17.329 26.446 1.00 0.00 C ATOM 441 OG1 THR A 31 18.700 16.250 27.326 1.00 0.00 O ATOM 442 CG2 THR A 31 20.324 17.192 25.832 1.00 0.00 C ATOM 0 H THR A 31 16.884 18.540 27.433 1.00 0.00 H new ATOM 0 HA THR A 31 19.713 18.419 28.028 1.00 0.00 H new ATOM 0 HB THR A 31 18.156 17.341 25.680 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.674 15.413 26.817 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.368 16.285 25.228 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.531 18.057 25.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.068 17.135 26.627 1.00 0.00 H new ATOM 450 N TYR A 32 20.565 20.236 26.577 1.00 0.00 N ATOM 451 CA TYR A 32 21.153 21.380 25.926 1.00 0.00 C ATOM 452 C TYR A 32 22.593 21.035 25.487 1.00 0.00 C ATOM 453 O TYR A 32 23.265 20.163 26.049 1.00 0.00 O ATOM 454 CB TYR A 32 20.982 22.566 26.891 1.00 0.00 C ATOM 455 CG TYR A 32 21.349 22.306 28.346 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.686 22.016 28.626 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.418 22.306 29.407 1.00 0.00 C ATOM 458 CE1 TYR A 32 23.125 21.915 29.953 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.802 22.069 30.739 1.00 0.00 C ATOM 460 CZ TYR A 32 22.188 21.929 31.019 1.00 0.00 C ATOM 461 OH TYR A 32 22.686 21.771 32.274 1.00 0.00 O ATOM 0 H TYR A 32 21.215 19.775 27.214 1.00 0.00 H new ATOM 0 HA TYR A 32 20.668 21.669 24.994 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.590 23.394 26.527 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.943 22.892 26.853 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.385 21.869 27.816 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.377 22.494 29.189 1.00 0.00 H new ATOM 0 HE1 TYR A 32 24.180 21.826 30.165 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.066 21.996 31.526 1.00 0.00 H new ATOM 0 HH TYR A 32 22.608 22.615 32.765 1.00 0.00 H new ATOM 471 N ARG A 33 23.083 21.723 24.455 1.00 0.00 N ATOM 472 CA ARG A 33 24.461 21.629 23.953 1.00 0.00 C ATOM 473 C ARG A 33 25.304 22.738 24.557 1.00 0.00 C ATOM 474 O ARG A 33 25.021 23.910 24.340 1.00 0.00 O ATOM 475 CB ARG A 33 24.478 21.736 22.433 1.00 0.00 C ATOM 476 CG ARG A 33 23.933 20.471 21.792 1.00 0.00 C ATOM 477 CD ARG A 33 23.965 20.678 20.279 1.00 0.00 C ATOM 478 NE ARG A 33 23.155 19.641 19.657 1.00 0.00 N ATOM 479 CZ ARG A 33 23.268 19.194 18.419 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.075 19.727 17.546 1.00 0.00 N ATOM 481 NH2 ARG A 33 22.548 18.188 18.025 1.00 0.00 N ATOM 0 H ARG A 33 22.515 22.384 23.925 1.00 0.00 H new ATOM 0 HA ARG A 33 24.876 20.663 24.241 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.882 22.593 22.119 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.497 21.912 22.089 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.535 19.607 22.074 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.916 20.276 22.132 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.580 21.665 20.023 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.990 20.631 19.911 1.00 0.00 H new ATOM 0 HE ARG A 33 22.428 19.218 20.234 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.654 20.525 17.807 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.128 19.346 16.601 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.896 17.744 18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.635 17.842 17.069 1.00 0.00 H new ATOM 495 N THR A 34 26.320 22.363 25.323 1.00 0.00 N ATOM 496 CA THR A 34 27.174 23.291 26.085 1.00 0.00 C ATOM 497 C THR A 34 28.661 23.008 25.905 1.00 0.00 C ATOM 498 O THR A 34 29.091 21.859 25.833 1.00 0.00 O ATOM 499 CB THR A 34 26.795 23.278 27.572 1.00 0.00 C ATOM 500 OG1 THR A 34 26.660 21.961 28.074 1.00 0.00 O ATOM 501 CG2 THR A 34 25.456 23.985 27.747 1.00 0.00 C ATOM 0 H THR A 34 26.587 21.386 25.441 1.00 0.00 H new ATOM 0 HA THR A 34 26.994 24.287 25.681 1.00 0.00 H new ATOM 0 HB THR A 34 27.592 23.780 28.120 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.420 21.996 29.024 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.178 23.981 28.801 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.539 25.014 27.397 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.692 23.466 27.168 1.00 0.00 H new ATOM 509 N CYS A 35 29.457 24.070 25.799 1.00 0.00 N ATOM 510 CA CYS A 35 30.898 23.998 25.525 1.00 0.00 C ATOM 511 C CYS A 35 31.672 23.282 26.660 1.00 0.00 C ATOM 512 O CYS A 35 31.994 23.912 27.663 1.00 0.00 O ATOM 513 CB CYS A 35 31.434 25.424 25.318 1.00 0.00 C ATOM 514 SG CYS A 35 30.666 26.467 24.041 1.00 0.00 S ATOM 0 H CYS A 35 29.115 25.025 25.903 1.00 0.00 H new ATOM 0 HA CYS A 35 31.051 23.406 24.622 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.351 25.950 26.269 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.497 25.348 25.088 1.00 0.00 H new ATOM 519 N ASN A 36 31.995 21.989 26.526 1.00 0.00 N ATOM 520 CA ASN A 36 32.811 21.249 27.498 1.00 0.00 C ATOM 521 C ASN A 36 34.273 21.124 27.016 1.00 0.00 C ATOM 522 O ASN A 36 34.614 21.354 25.853 1.00 0.00 O ATOM 523 CB ASN A 36 32.136 19.886 27.796 1.00 0.00 C ATOM 524 CG ASN A 36 32.932 18.955 28.689 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.321 17.867 28.325 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.266 19.363 29.878 1.00 0.00 N ATOM 0 H ASN A 36 31.695 21.422 25.733 1.00 0.00 H new ATOM 0 HA ASN A 36 32.864 21.798 28.438 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.168 20.072 28.262 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.942 19.380 26.850 1.00 0.00 H new ATOM 0 HD21 ASN A 36 33.841 18.771 30.477 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.953 20.275 30.211 1.00 0.00 H new ATOM 533 N LEU A 37 35.154 20.768 27.952 1.00 0.00 N ATOM 534 CA LEU A 37 36.553 20.479 27.739 1.00 0.00 C ATOM 535 C LEU A 37 36.826 19.146 27.024 1.00 0.00 C ATOM 536 O LEU A 37 37.922 19.036 26.483 1.00 0.00 O ATOM 537 CB LEU A 37 37.256 20.520 29.123 1.00 0.00 C ATOM 538 CG LEU A 37 38.159 21.691 29.444 1.00 0.00 C ATOM 539 CD1 LEU A 37 39.269 21.637 28.426 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.339 22.956 29.386 1.00 0.00 C ATOM 0 H LEU A 37 34.884 20.671 28.931 1.00 0.00 H new ATOM 0 HA LEU A 37 36.952 21.235 27.062 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.481 20.480 29.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.848 19.610 29.221 1.00 0.00 H new ATOM 0 HG LEU A 37 38.594 21.660 30.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.963 22.460 28.600 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.800 20.689 28.517 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.848 21.723 27.424 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.974 23.812 29.615 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.920 23.072 28.387 1.00 0.00 H new ATOM 0 HD23 LEU A 37 36.530 22.899 30.114 1.00 0.00 H new ATOM 552 N LEU A 38 35.909 18.154 27.015 1.00 0.00 N ATOM 553 CA LEU A 38 36.117 16.816 26.430 1.00 0.00 C ATOM 554 C LEU A 38 34.934 16.258 25.593 1.00 0.00 C ATOM 555 O LEU A 38 33.763 16.536 25.870 1.00 0.00 O ATOM 556 CB LEU A 38 36.428 15.773 27.533 1.00 0.00 C ATOM 557 CG LEU A 38 37.803 15.633 28.142 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.794 15.338 27.046 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.154 16.876 28.882 1.00 0.00 C ATOM 0 H LEU A 38 34.982 18.267 27.425 1.00 0.00 H new ATOM 0 HA LEU A 38 36.956 16.966 25.750 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.740 15.971 28.355 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.165 14.797 27.125 1.00 0.00 H new ATOM 0 HG LEU A 38 37.822 14.809 28.855 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.791 15.235 27.475 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.517 14.411 26.545 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.792 16.155 26.324 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.147 16.771 29.320 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.148 17.722 28.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.424 17.046 29.674 1.00 0.00 H new ATOM 571 N PRO A 39 35.233 15.398 24.599 1.00 0.00 N ATOM 572 CA PRO A 39 34.267 14.713 23.738 1.00 0.00 C ATOM 573 C PRO A 39 33.461 13.638 24.480 1.00 0.00 C ATOM 574 O PRO A 39 33.962 12.987 25.421 1.00 0.00 O ATOM 575 CB PRO A 39 35.092 14.154 22.583 1.00 0.00 C ATOM 576 CG PRO A 39 36.455 13.871 23.214 1.00 0.00 C ATOM 577 CD PRO A 39 36.583 14.996 24.240 1.00 0.00 C ATOM 0 HA PRO A 39 33.497 15.396 23.380 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.645 13.248 22.173 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.171 14.869 21.764 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.489 12.888 23.683 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.258 13.900 22.477 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.131 14.656 25.119 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.138 15.837 23.824 1.00 0.00 H new TER 585 PRO A 39