USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -166:sc= 0.844 (180deg=0.688) USER MOD Single : A 2 SER OG : rot -49:sc= 0.067 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -40:sc= 0.0206 USER MOD Single : A 23 GLN : amide:sc=-0.00502 K(o=-0.005,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 79:sc= 0.773 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.29) USER MOD Single : A 53 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0058 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.121 5.249 34.814 1.00 0.00 N ATOM 2 CA GLY A 1 30.683 3.889 34.935 1.00 0.00 C ATOM 3 C GLY A 1 32.069 3.920 35.554 1.00 0.00 C ATOM 4 O GLY A 1 32.199 4.088 36.767 1.00 0.00 O ATOM 0 H1 GLY A 1 29.102 5.187 34.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.270 5.767 35.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.595 5.753 34.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.023 3.273 35.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.732 3.424 33.950 1.00 0.00 H new ATOM 10 N SER A 2 33.111 3.747 34.737 1.00 0.00 N ATOM 11 CA SER A 2 34.529 3.714 35.159 1.00 0.00 C ATOM 12 C SER A 2 35.462 4.201 34.029 1.00 0.00 C ATOM 13 O SER A 2 36.642 3.847 33.957 1.00 0.00 O ATOM 14 CB SER A 2 34.870 2.292 35.638 1.00 0.00 C ATOM 15 OG SER A 2 36.066 2.261 36.403 1.00 0.00 O ATOM 0 H SER A 2 32.996 3.621 33.731 1.00 0.00 H new ATOM 0 HA SER A 2 34.685 4.404 35.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.046 1.904 36.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.974 1.634 34.775 1.00 0.00 H new ATOM 0 HG SER A 2 36.771 2.748 35.928 1.00 0.00 H new ATOM 21 N GLU A 3 34.894 4.984 33.107 1.00 0.00 N ATOM 22 CA GLU A 3 35.492 5.496 31.868 1.00 0.00 C ATOM 23 C GLU A 3 36.797 6.281 32.122 1.00 0.00 C ATOM 24 O GLU A 3 36.994 6.873 33.189 1.00 0.00 O ATOM 25 CB GLU A 3 34.470 6.399 31.135 1.00 0.00 C ATOM 26 CG GLU A 3 33.191 5.702 30.624 1.00 0.00 C ATOM 27 CD GLU A 3 32.309 5.135 31.753 1.00 0.00 C ATOM 28 OE1 GLU A 3 31.815 5.913 32.602 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 32.180 3.895 31.878 1.00 0.00 O ATOM 0 H GLU A 3 33.931 5.301 33.215 1.00 0.00 H new ATOM 0 HA GLU A 3 35.749 4.637 31.249 1.00 0.00 H new ATOM 0 HB2 GLU A 3 34.176 7.203 31.810 1.00 0.00 H new ATOM 0 HB3 GLU A 3 34.970 6.864 30.285 1.00 0.00 H new ATOM 0 HG2 GLU A 3 32.607 6.414 30.040 1.00 0.00 H new ATOM 0 HG3 GLU A 3 33.472 4.892 29.951 1.00 0.00 H new ATOM 36 N PHE A 4 37.671 6.332 31.110 1.00 0.00 N ATOM 37 CA PHE A 4 38.988 6.991 31.171 1.00 0.00 C ATOM 38 C PHE A 4 39.240 7.965 30.000 1.00 0.00 C ATOM 39 O PHE A 4 40.308 8.574 29.905 1.00 0.00 O ATOM 40 CB PHE A 4 40.080 5.911 31.266 1.00 0.00 C ATOM 41 CG PHE A 4 40.262 5.076 30.008 1.00 0.00 C ATOM 42 CD1 PHE A 4 39.484 3.920 29.801 1.00 0.00 C ATOM 43 CD2 PHE A 4 41.209 5.460 29.039 1.00 0.00 C ATOM 44 CE1 PHE A 4 39.645 3.162 28.627 1.00 0.00 C ATOM 45 CE2 PHE A 4 41.372 4.701 27.867 1.00 0.00 C ATOM 46 CZ PHE A 4 40.588 3.552 27.659 1.00 0.00 C ATOM 0 H PHE A 4 37.481 5.907 30.203 1.00 0.00 H new ATOM 0 HA PHE A 4 39.013 7.617 32.063 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.028 6.393 31.506 1.00 0.00 H new ATOM 0 HB3 PHE A 4 39.842 5.245 32.096 1.00 0.00 H new ATOM 0 HD1 PHE A 4 38.763 3.615 30.545 1.00 0.00 H new ATOM 0 HD2 PHE A 4 41.813 6.341 29.197 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.044 2.279 28.469 1.00 0.00 H new ATOM 0 HE2 PHE A 4 42.099 5.000 27.127 1.00 0.00 H new ATOM 0 HZ PHE A 4 40.710 2.970 26.757 1.00 0.00 H new ATOM 56 N THR A 5 38.255 8.123 29.111 1.00 0.00 N ATOM 57 CA THR A 5 38.285 8.992 27.925 1.00 0.00 C ATOM 58 C THR A 5 36.859 9.438 27.565 1.00 0.00 C ATOM 59 O THR A 5 35.889 8.740 27.883 1.00 0.00 O ATOM 60 CB THR A 5 38.977 8.261 26.755 1.00 0.00 C ATOM 61 OG1 THR A 5 39.132 9.126 25.647 1.00 0.00 O ATOM 62 CG2 THR A 5 38.247 7.005 26.267 1.00 0.00 C ATOM 0 H THR A 5 37.370 7.625 29.201 1.00 0.00 H new ATOM 0 HA THR A 5 38.865 9.890 28.140 1.00 0.00 H new ATOM 0 HB THR A 5 39.939 7.947 27.161 1.00 0.00 H new ATOM 0 HG1 THR A 5 39.574 8.645 24.916 1.00 0.00 H new ATOM 0 HG21 THR A 5 38.804 6.557 25.444 1.00 0.00 H new ATOM 0 HG22 THR A 5 38.169 6.289 27.085 1.00 0.00 H new ATOM 0 HG23 THR A 5 37.248 7.275 25.924 1.00 0.00 H new ATOM 70 N SER A 6 36.714 10.604 26.930 1.00 0.00 N ATOM 71 CA SER A 6 35.419 11.191 26.540 1.00 0.00 C ATOM 72 C SER A 6 35.117 10.978 25.046 1.00 0.00 C ATOM 73 O SER A 6 36.018 10.682 24.253 1.00 0.00 O ATOM 74 CB SER A 6 35.418 12.689 26.883 1.00 0.00 C ATOM 75 OG SER A 6 34.103 13.222 26.836 1.00 0.00 O ATOM 0 H SER A 6 37.510 11.184 26.664 1.00 0.00 H new ATOM 0 HA SER A 6 34.632 10.685 27.098 1.00 0.00 H new ATOM 0 HB2 SER A 6 35.839 12.838 27.877 1.00 0.00 H new ATOM 0 HB3 SER A 6 36.057 13.226 26.182 1.00 0.00 H new ATOM 0 HG SER A 6 34.128 14.176 27.060 1.00 0.00 H new ATOM 81 N SER A 7 33.855 11.176 24.650 1.00 0.00 N ATOM 82 CA SER A 7 33.352 10.968 23.279 1.00 0.00 C ATOM 83 C SER A 7 32.484 12.149 22.787 1.00 0.00 C ATOM 84 O SER A 7 31.295 11.968 22.505 1.00 0.00 O ATOM 85 CB SER A 7 32.610 9.623 23.175 1.00 0.00 C ATOM 86 OG SER A 7 33.460 8.538 23.527 1.00 0.00 O ATOM 0 H SER A 7 33.129 11.495 25.292 1.00 0.00 H new ATOM 0 HA SER A 7 34.213 10.930 22.612 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.739 9.634 23.830 1.00 0.00 H new ATOM 0 HB3 SER A 7 32.242 9.485 22.158 1.00 0.00 H new ATOM 0 HG SER A 7 32.963 7.696 23.454 1.00 0.00 H new ATOM 92 N PRO A 8 33.041 13.377 22.683 1.00 0.00 N ATOM 93 CA PRO A 8 32.331 14.565 22.185 1.00 0.00 C ATOM 94 C PRO A 8 32.128 14.582 20.651 1.00 0.00 C ATOM 95 O PRO A 8 31.509 15.508 20.121 1.00 0.00 O ATOM 96 CB PRO A 8 33.192 15.746 22.646 1.00 0.00 C ATOM 97 CG PRO A 8 34.609 15.182 22.574 1.00 0.00 C ATOM 98 CD PRO A 8 34.415 13.736 23.027 1.00 0.00 C ATOM 0 HA PRO A 8 31.314 14.594 22.577 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.069 16.613 21.998 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.934 16.064 23.656 1.00 0.00 H new ATOM 0 HG2 PRO A 8 35.017 15.239 21.565 1.00 0.00 H new ATOM 0 HG3 PRO A 8 35.294 15.723 23.227 1.00 0.00 H new ATOM 0 HD2 PRO A 8 35.125 13.075 22.530 1.00 0.00 H new ATOM 0 HD3 PRO A 8 34.585 13.639 24.099 1.00 0.00 H new ATOM 106 N ARG A 9 32.641 13.570 19.935 1.00 0.00 N ATOM 107 CA ARG A 9 32.567 13.386 18.471 1.00 0.00 C ATOM 108 C ARG A 9 32.114 11.959 18.116 1.00 0.00 C ATOM 109 O ARG A 9 32.077 11.083 18.985 1.00 0.00 O ATOM 110 CB ARG A 9 33.943 13.680 17.838 1.00 0.00 C ATOM 111 CG ARG A 9 34.408 15.136 17.997 1.00 0.00 C ATOM 112 CD ARG A 9 35.728 15.345 17.241 1.00 0.00 C ATOM 113 NE ARG A 9 36.221 16.733 17.354 1.00 0.00 N ATOM 114 CZ ARG A 9 35.873 17.771 16.614 1.00 0.00 C ATOM 115 NH1 ARG A 9 34.972 17.691 15.674 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 36.434 18.931 16.805 1.00 0.00 N ATOM 0 H ARG A 9 33.150 12.810 20.387 1.00 0.00 H new ATOM 0 HA ARG A 9 31.830 14.083 18.073 1.00 0.00 H new ATOM 0 HB2 ARG A 9 34.686 13.021 18.288 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.902 13.437 16.776 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.647 15.815 17.613 1.00 0.00 H new ATOM 0 HG3 ARG A 9 34.542 15.372 19.053 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.481 14.661 17.632 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.586 15.096 16.189 1.00 0.00 H new ATOM 0 HE ARG A 9 36.908 16.910 18.087 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.507 16.803 15.488 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.733 18.517 15.125 1.00 0.00 H new ATOM 0 HH21 ARG A 9 37.145 19.041 17.528 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.162 19.730 16.231 1.00 0.00 H new ATOM 130 N GLY A 10 31.787 11.727 16.841 1.00 0.00 N ATOM 131 CA GLY A 10 31.401 10.411 16.311 1.00 0.00 C ATOM 132 C GLY A 10 32.440 9.306 16.571 1.00 0.00 C ATOM 133 O GLY A 10 33.650 9.551 16.570 1.00 0.00 O ATOM 0 H GLY A 10 31.782 12.461 16.133 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.451 10.115 16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.237 10.497 15.237 1.00 0.00 H new ATOM 137 N ASP A 11 31.959 8.084 16.805 1.00 0.00 N ATOM 138 CA ASP A 11 32.772 6.923 17.195 1.00 0.00 C ATOM 139 C ASP A 11 33.578 6.293 16.037 1.00 0.00 C ATOM 140 O ASP A 11 33.363 6.589 14.856 1.00 0.00 O ATOM 141 CB ASP A 11 31.854 5.881 17.854 1.00 0.00 C ATOM 142 CG ASP A 11 31.365 6.370 19.227 1.00 0.00 C ATOM 143 OD1 ASP A 11 30.330 7.076 19.290 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 32.032 6.060 20.243 1.00 0.00 O ATOM 0 H ASP A 11 30.966 7.865 16.727 1.00 0.00 H new ATOM 0 HA ASP A 11 33.526 7.278 17.898 1.00 0.00 H new ATOM 0 HB2 ASP A 11 30.998 5.684 17.208 1.00 0.00 H new ATOM 0 HB3 ASP A 11 32.390 4.939 17.969 1.00 0.00 H new ATOM 149 N LYS A 12 34.508 5.394 16.396 1.00 0.00 N ATOM 150 CA LYS A 12 35.461 4.721 15.487 1.00 0.00 C ATOM 151 C LYS A 12 35.067 3.279 15.127 1.00 0.00 C ATOM 152 O LYS A 12 35.049 2.927 13.947 1.00 0.00 O ATOM 153 CB LYS A 12 36.887 4.787 16.085 1.00 0.00 C ATOM 154 CG LYS A 12 36.981 4.469 17.595 1.00 0.00 C ATOM 155 CD LYS A 12 38.401 4.145 18.079 1.00 0.00 C ATOM 156 CE LYS A 12 39.379 5.308 17.872 1.00 0.00 C ATOM 157 NZ LYS A 12 40.723 4.981 18.413 1.00 0.00 N1+ ATOM 0 H LYS A 12 34.625 5.101 17.366 1.00 0.00 H new ATOM 0 HA LYS A 12 35.435 5.263 14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 12 37.524 4.089 15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 12 37.290 5.785 15.914 1.00 0.00 H new ATOM 0 HG2 LYS A 12 36.602 5.321 18.159 1.00 0.00 H new ATOM 0 HG3 LYS A 12 36.330 3.623 17.819 1.00 0.00 H new ATOM 0 HD2 LYS A 12 38.369 3.887 19.138 1.00 0.00 H new ATOM 0 HD3 LYS A 12 38.770 3.267 17.548 1.00 0.00 H new ATOM 0 HE2 LYS A 12 39.457 5.536 16.809 1.00 0.00 H new ATOM 0 HE3 LYS A 12 38.994 6.202 18.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 41.364 5.785 18.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 40.649 4.787 19.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 41.098 4.142 17.927 1.00 0.00 H new ATOM 171 N ALA A 13 34.748 2.458 16.130 1.00 0.00 N ATOM 172 CA ALA A 13 34.461 1.022 15.994 1.00 0.00 C ATOM 173 C ALA A 13 33.534 0.454 17.097 1.00 0.00 C ATOM 174 O ALA A 13 33.123 -0.705 17.023 1.00 0.00 O ATOM 175 CB ALA A 13 35.802 0.272 15.974 1.00 0.00 C ATOM 0 H ALA A 13 34.679 2.783 17.094 1.00 0.00 H new ATOM 0 HA ALA A 13 33.910 0.879 15.064 1.00 0.00 H new ATOM 0 HB1 ALA A 13 35.619 -0.798 15.874 1.00 0.00 H new ATOM 0 HB2 ALA A 13 36.400 0.618 15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 13 36.339 0.463 16.903 1.00 0.00 H new ATOM 181 N ALA A 14 33.180 1.252 18.113 1.00 0.00 N ATOM 182 CA ALA A 14 32.411 0.852 19.300 1.00 0.00 C ATOM 183 C ALA A 14 30.887 0.710 19.051 1.00 0.00 C ATOM 184 O ALA A 14 30.072 0.946 19.944 1.00 0.00 O ATOM 185 CB ALA A 14 32.740 1.857 20.415 1.00 0.00 C ATOM 0 H ALA A 14 33.433 2.240 18.131 1.00 0.00 H new ATOM 0 HA ALA A 14 32.707 -0.155 19.593 1.00 0.00 H new ATOM 0 HB1 ALA A 14 32.187 1.594 21.317 1.00 0.00 H new ATOM 0 HB2 ALA A 14 33.809 1.831 20.625 1.00 0.00 H new ATOM 0 HB3 ALA A 14 32.457 2.860 20.096 1.00 0.00 H new ATOM 191 N TYR A 15 30.476 0.338 17.838 1.00 0.00 N ATOM 192 CA TYR A 15 29.071 0.215 17.422 1.00 0.00 C ATOM 193 C TYR A 15 28.234 -0.776 18.263 1.00 0.00 C ATOM 194 O TYR A 15 27.004 -0.726 18.224 1.00 0.00 O ATOM 195 CB TYR A 15 29.032 -0.140 15.926 1.00 0.00 C ATOM 196 CG TYR A 15 29.701 0.896 15.037 1.00 0.00 C ATOM 197 CD1 TYR A 15 29.023 2.093 14.736 1.00 0.00 C ATOM 198 CD2 TYR A 15 31.001 0.684 14.534 1.00 0.00 C ATOM 199 CE1 TYR A 15 29.646 3.087 13.956 1.00 0.00 C ATOM 200 CE2 TYR A 15 31.626 1.674 13.748 1.00 0.00 C ATOM 201 CZ TYR A 15 30.953 2.883 13.464 1.00 0.00 C ATOM 202 OH TYR A 15 31.553 3.847 12.712 1.00 0.00 O ATOM 0 H TYR A 15 31.130 0.106 17.091 1.00 0.00 H new ATOM 0 HA TYR A 15 28.595 1.179 17.600 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.519 -1.104 15.777 1.00 0.00 H new ATOM 0 HB3 TYR A 15 27.994 -0.257 15.616 1.00 0.00 H new ATOM 0 HD1 TYR A 15 28.020 2.250 15.105 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.519 -0.238 14.751 1.00 0.00 H new ATOM 0 HE1 TYR A 15 29.123 4.006 13.734 1.00 0.00 H new ATOM 0 HE2 TYR A 15 32.621 1.508 13.362 1.00 0.00 H new ATOM 0 HH TYR A 15 32.450 3.549 12.454 1.00 0.00 H new ATOM 212 N ASP A 16 28.872 -1.648 19.053 1.00 0.00 N ATOM 213 CA ASP A 16 28.220 -2.574 19.991 1.00 0.00 C ATOM 214 C ASP A 16 27.539 -1.885 21.196 1.00 0.00 C ATOM 215 O ASP A 16 26.499 -2.365 21.654 1.00 0.00 O ATOM 216 CB ASP A 16 29.253 -3.585 20.509 1.00 0.00 C ATOM 217 CG ASP A 16 29.780 -4.500 19.393 1.00 0.00 C ATOM 218 OD1 ASP A 16 29.071 -5.464 19.012 1.00 0.00 O ATOM 219 OD2 ASP A 16 30.909 -4.266 18.899 1.00 0.00 O1- ATOM 0 H ASP A 16 29.888 -1.732 19.058 1.00 0.00 H new ATOM 0 HA ASP A 16 27.426 -3.064 19.428 1.00 0.00 H new ATOM 0 HB2 ASP A 16 30.087 -3.050 20.962 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.802 -4.194 21.293 1.00 0.00 H new ATOM 224 N ILE A 17 28.090 -0.773 21.713 1.00 0.00 N ATOM 225 CA ILE A 17 27.451 0.022 22.786 1.00 0.00 C ATOM 226 C ILE A 17 26.400 0.991 22.222 1.00 0.00 C ATOM 227 O ILE A 17 25.371 1.220 22.864 1.00 0.00 O ATOM 228 CB ILE A 17 28.498 0.709 23.709 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.882 1.612 24.809 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.629 1.436 22.967 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.616 3.088 24.451 1.00 0.00 C ATOM 0 H ILE A 17 28.987 -0.398 21.403 1.00 0.00 H new ATOM 0 HA ILE A 17 26.907 -0.669 23.430 1.00 0.00 H new ATOM 0 HB ILE A 17 28.959 -0.139 24.216 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.938 1.166 25.121 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.546 1.590 25.673 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.310 1.884 23.691 1.00 0.00 H new ATOM 0 HG22 ILE A 17 30.175 0.724 22.348 1.00 0.00 H new ATOM 0 HG23 ILE A 17 29.206 2.217 22.335 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.185 3.599 25.312 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.554 3.570 24.174 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.921 3.140 23.613 1.00 0.00 H new ATOM 243 N LEU A 18 26.619 1.515 21.009 1.00 0.00 N ATOM 244 CA LEU A 18 25.663 2.388 20.317 1.00 0.00 C ATOM 245 C LEU A 18 24.331 1.682 19.992 1.00 0.00 C ATOM 246 O LEU A 18 24.232 0.450 19.966 1.00 0.00 O ATOM 247 CB LEU A 18 26.285 2.949 19.019 1.00 0.00 C ATOM 248 CG LEU A 18 27.634 3.679 19.153 1.00 0.00 C ATOM 249 CD1 LEU A 18 27.964 4.357 17.824 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.637 4.743 20.247 1.00 0.00 C ATOM 0 H LEU A 18 27.472 1.343 20.476 1.00 0.00 H new ATOM 0 HA LEU A 18 25.438 3.204 21.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.414 2.123 18.320 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.569 3.638 18.570 1.00 0.00 H new ATOM 0 HG LEU A 18 28.376 2.928 19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.918 4.877 17.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.029 3.605 17.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.181 5.073 17.577 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.617 5.219 20.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.878 5.494 20.027 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.419 4.277 21.208 1.00 0.00 H new ATOM 262 N ARG A 19 23.323 2.487 19.651 1.00 0.00 N ATOM 263 CA ARG A 19 22.011 2.069 19.128 1.00 0.00 C ATOM 264 C ARG A 19 21.667 2.894 17.890 1.00 0.00 C ATOM 265 O ARG A 19 22.056 4.060 17.794 1.00 0.00 O ATOM 266 CB ARG A 19 20.948 2.250 20.230 1.00 0.00 C ATOM 267 CG ARG A 19 20.743 0.986 21.083 1.00 0.00 C ATOM 268 CD ARG A 19 19.696 0.036 20.476 1.00 0.00 C ATOM 269 NE ARG A 19 18.316 0.537 20.676 1.00 0.00 N ATOM 270 CZ ARG A 19 17.556 0.367 21.747 1.00 0.00 C ATOM 271 NH1 ARG A 19 17.946 -0.337 22.772 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 16.375 0.914 21.815 1.00 0.00 N ATOM 0 H ARG A 19 23.399 3.501 19.735 1.00 0.00 H new ATOM 0 HA ARG A 19 22.038 1.018 18.839 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.242 3.075 20.879 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.000 2.529 19.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.692 0.460 21.184 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.430 1.274 22.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.888 -0.083 19.410 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.794 -0.950 20.930 1.00 0.00 H new ATOM 0 HE ARG A 19 17.908 1.069 19.907 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.865 -0.780 22.767 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.332 -0.445 23.579 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.029 1.479 21.039 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.797 0.777 22.644 1.00 0.00 H new ATOM 286 N ARG A 20 20.925 2.290 16.955 1.00 0.00 N ATOM 287 CA ARG A 20 20.553 2.887 15.661 1.00 0.00 C ATOM 288 C ARG A 20 19.048 2.811 15.425 1.00 0.00 C ATOM 289 O ARG A 20 18.420 1.798 15.742 1.00 0.00 O ATOM 290 CB ARG A 20 21.368 2.246 14.516 1.00 0.00 C ATOM 291 CG ARG A 20 21.027 0.778 14.191 1.00 0.00 C ATOM 292 CD ARG A 20 21.930 0.213 13.085 1.00 0.00 C ATOM 293 NE ARG A 20 21.646 0.818 11.766 1.00 0.00 N ATOM 294 CZ ARG A 20 22.311 0.609 10.642 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.352 -0.174 10.582 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 21.937 1.190 9.537 1.00 0.00 N ATOM 0 H ARG A 20 20.555 1.347 17.078 1.00 0.00 H new ATOM 0 HA ARG A 20 20.805 3.947 15.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.223 2.841 13.614 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.426 2.306 14.771 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.133 0.173 15.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.985 0.707 13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.974 0.389 13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.794 -0.867 13.024 1.00 0.00 H new ATOM 0 HE ARG A 20 20.857 1.462 11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.680 -0.651 11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.838 -0.309 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.127 1.810 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.454 1.025 8.674 1.00 0.00 H new ATOM 310 N CYS A 21 18.479 3.874 14.864 1.00 0.00 N ATOM 311 CA CYS A 21 17.075 3.906 14.473 1.00 0.00 C ATOM 312 C CYS A 21 16.885 3.179 13.130 1.00 0.00 C ATOM 313 O CYS A 21 17.404 3.611 12.095 1.00 0.00 O ATOM 314 CB CYS A 21 16.615 5.363 14.421 1.00 0.00 C ATOM 315 SG CYS A 21 14.831 5.383 14.092 1.00 0.00 S ATOM 0 H CYS A 21 18.981 4.740 14.668 1.00 0.00 H new ATOM 0 HA CYS A 21 16.459 3.381 15.203 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.833 5.864 15.364 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.151 5.903 13.641 1.00 0.00 H new ATOM 320 N SER A 22 16.121 2.083 13.139 1.00 0.00 N ATOM 321 CA SER A 22 15.757 1.312 11.937 1.00 0.00 C ATOM 322 C SER A 22 14.891 2.104 10.932 1.00 0.00 C ATOM 323 O SER A 22 14.681 1.652 9.804 1.00 0.00 O ATOM 324 CB SER A 22 15.044 0.017 12.358 1.00 0.00 C ATOM 325 OG SER A 22 15.133 -0.972 11.342 1.00 0.00 O ATOM 0 H SER A 22 15.728 1.696 13.997 1.00 0.00 H new ATOM 0 HA SER A 22 16.685 1.081 11.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.487 -0.363 13.279 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.996 0.229 12.572 1.00 0.00 H new ATOM 0 HG SER A 22 15.011 -0.552 10.465 1.00 0.00 H new ATOM 331 N GLN A 23 14.413 3.299 11.310 1.00 0.00 N ATOM 332 CA GLN A 23 13.549 4.160 10.491 1.00 0.00 C ATOM 333 C GLN A 23 14.199 5.517 10.130 1.00 0.00 C ATOM 334 O GLN A 23 13.757 6.158 9.171 1.00 0.00 O ATOM 335 CB GLN A 23 12.205 4.339 11.228 1.00 0.00 C ATOM 336 CG GLN A 23 11.000 4.629 10.316 1.00 0.00 C ATOM 337 CD GLN A 23 10.445 3.374 9.631 1.00 0.00 C ATOM 338 OE1 GLN A 23 11.139 2.633 8.948 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.172 3.072 9.786 1.00 0.00 N ATOM 0 H GLN A 23 14.624 3.704 12.222 1.00 0.00 H new ATOM 0 HA GLN A 23 13.385 3.672 9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.999 3.436 11.802 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.305 5.155 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.209 5.093 10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.295 5.351 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.570 3.672 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.788 2.238 9.342 1.00 0.00 H new ATOM 348 N CYS A 24 15.272 5.922 10.830 1.00 0.00 N ATOM 349 CA CYS A 24 15.932 7.229 10.667 1.00 0.00 C ATOM 350 C CYS A 24 17.429 7.136 10.277 1.00 0.00 C ATOM 351 O CYS A 24 17.999 8.118 9.797 1.00 0.00 O ATOM 352 CB CYS A 24 15.768 8.053 11.960 1.00 0.00 C ATOM 353 SG CYS A 24 14.050 8.124 12.558 1.00 0.00 S ATOM 0 H CYS A 24 15.714 5.338 11.540 1.00 0.00 H new ATOM 0 HA CYS A 24 15.438 7.724 9.831 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.399 7.623 12.738 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.126 9.067 11.784 1.00 0.00 H new ATOM 358 N GLY A 25 18.084 5.985 10.484 1.00 0.00 N ATOM 359 CA GLY A 25 19.484 5.723 10.106 1.00 0.00 C ATOM 360 C GLY A 25 20.561 6.347 11.011 1.00 0.00 C ATOM 361 O GLY A 25 21.729 5.962 10.921 1.00 0.00 O ATOM 0 H GLY A 25 17.642 5.183 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.637 4.644 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.638 6.086 9.090 1.00 0.00 H new ATOM 365 N ILE A 26 20.192 7.289 11.888 1.00 0.00 N ATOM 366 CA ILE A 26 21.067 7.904 12.901 1.00 0.00 C ATOM 367 C ILE A 26 21.549 6.885 13.955 1.00 0.00 C ATOM 368 O ILE A 26 20.875 5.882 14.211 1.00 0.00 O ATOM 369 CB ILE A 26 20.333 9.117 13.531 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.293 10.004 14.359 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.106 8.684 14.357 1.00 0.00 C ATOM 372 CD1 ILE A 26 20.713 11.373 14.739 1.00 0.00 C ATOM 0 H ILE A 26 19.242 7.659 11.915 1.00 0.00 H new ATOM 0 HA ILE A 26 21.976 8.261 12.417 1.00 0.00 H new ATOM 0 HB ILE A 26 19.964 9.725 12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.566 9.472 15.270 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.211 10.156 13.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.623 9.565 14.780 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.402 8.157 13.713 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.425 8.023 15.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 21.449 11.932 15.318 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.466 11.928 13.834 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.812 11.233 15.336 1.00 0.00 H new ATOM 384 N LEU A 27 22.687 7.170 14.602 1.00 0.00 N ATOM 385 CA LEU A 27 23.247 6.403 15.721 1.00 0.00 C ATOM 386 C LEU A 27 23.466 7.308 16.944 1.00 0.00 C ATOM 387 O LEU A 27 24.013 8.405 16.811 1.00 0.00 O ATOM 388 CB LEU A 27 24.586 5.742 15.334 1.00 0.00 C ATOM 389 CG LEU A 27 24.485 4.633 14.270 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.663 5.153 12.842 1.00 0.00 C ATOM 391 CD2 LEU A 27 25.570 3.578 14.503 1.00 0.00 C ATOM 0 H LEU A 27 23.264 7.972 14.350 1.00 0.00 H new ATOM 0 HA LEU A 27 22.528 5.622 15.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.262 6.515 14.968 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.039 5.322 16.232 1.00 0.00 H new ATOM 0 HG LEU A 27 23.483 4.216 14.372 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.581 4.323 12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.890 5.890 12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.645 5.616 12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.489 2.799 13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.552 4.046 14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.442 3.137 15.492 1.00 0.00 H new ATOM 403 N LEU A 28 23.076 6.827 18.130 1.00 0.00 N ATOM 404 CA LEU A 28 23.195 7.521 19.422 1.00 0.00 C ATOM 405 C LEU A 28 23.879 6.602 20.464 1.00 0.00 C ATOM 406 O LEU A 28 23.767 5.376 20.351 1.00 0.00 O ATOM 407 CB LEU A 28 21.799 7.946 19.946 1.00 0.00 C ATOM 408 CG LEU A 28 20.984 9.032 19.209 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.810 10.255 18.818 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.234 8.507 17.984 1.00 0.00 C ATOM 0 H LEU A 28 22.651 5.905 18.222 1.00 0.00 H new ATOM 0 HA LEU A 28 23.803 8.413 19.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.181 7.049 19.982 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.930 8.284 20.974 1.00 0.00 H new ATOM 0 HG LEU A 28 20.247 9.345 19.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.173 10.975 18.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.228 10.714 19.714 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.620 9.950 18.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.684 9.324 17.517 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.947 8.094 17.270 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.536 7.728 18.291 1.00 0.00 H new ATOM 422 N PRO A 29 24.565 7.157 21.488 1.00 0.00 N ATOM 423 CA PRO A 29 25.249 6.364 22.514 1.00 0.00 C ATOM 424 C PRO A 29 24.279 5.709 23.511 1.00 0.00 C ATOM 425 O PRO A 29 24.077 4.498 23.447 1.00 0.00 O ATOM 426 CB PRO A 29 26.254 7.322 23.168 1.00 0.00 C ATOM 427 CG PRO A 29 25.630 8.705 22.970 1.00 0.00 C ATOM 428 CD PRO A 29 24.882 8.573 21.644 1.00 0.00 C ATOM 0 HA PRO A 29 25.763 5.506 22.079 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.393 7.094 24.225 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.234 7.255 22.696 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.956 8.962 23.787 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.390 9.485 22.926 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.974 9.176 21.649 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.495 8.927 20.815 1.00 0.00 H new ATOM 436 N LEU A 30 23.667 6.488 24.416 1.00 0.00 N ATOM 437 CA LEU A 30 22.733 5.999 25.447 1.00 0.00 C ATOM 438 C LEU A 30 21.801 7.098 26.011 1.00 0.00 C ATOM 439 O LEU A 30 20.586 6.913 25.935 1.00 0.00 O ATOM 440 CB LEU A 30 23.521 5.282 26.575 1.00 0.00 C ATOM 441 CG LEU A 30 23.286 3.759 26.627 1.00 0.00 C ATOM 442 CD1 LEU A 30 24.280 3.107 27.591 1.00 0.00 C ATOM 443 CD2 LEU A 30 21.870 3.421 27.101 1.00 0.00 C ATOM 0 H LEU A 30 23.809 7.497 24.454 1.00 0.00 H new ATOM 0 HA LEU A 30 22.068 5.284 24.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.586 5.471 26.439 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.240 5.717 27.534 1.00 0.00 H new ATOM 0 HG LEU A 30 23.423 3.378 25.615 1.00 0.00 H new ATOM 0 HD11 LEU A 30 24.106 2.031 27.621 1.00 0.00 H new ATOM 0 HD12 LEU A 30 25.297 3.301 27.251 1.00 0.00 H new ATOM 0 HD13 LEU A 30 24.146 3.524 28.589 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.743 2.339 27.124 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.715 3.826 28.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.143 3.857 26.416 1.00 0.00 H new ATOM 455 N PRO A 31 22.289 8.250 26.530 1.00 0.00 N ATOM 456 CA PRO A 31 21.397 9.293 27.054 1.00 0.00 C ATOM 457 C PRO A 31 20.696 10.112 25.953 1.00 0.00 C ATOM 458 O PRO A 31 19.509 10.410 26.079 1.00 0.00 O ATOM 459 CB PRO A 31 22.266 10.164 27.967 1.00 0.00 C ATOM 460 CG PRO A 31 23.684 9.973 27.433 1.00 0.00 C ATOM 461 CD PRO A 31 23.675 8.547 26.882 1.00 0.00 C ATOM 0 HA PRO A 31 20.568 8.844 27.601 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.963 11.210 27.925 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.187 9.851 29.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 23.921 10.701 26.657 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.428 10.093 28.220 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.324 8.463 26.010 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.047 7.841 27.625 1.00 0.00 H new ATOM 469 N ILE A 32 21.381 10.432 24.844 1.00 0.00 N ATOM 470 CA ILE A 32 20.779 11.145 23.694 1.00 0.00 C ATOM 471 C ILE A 32 19.780 10.252 22.931 1.00 0.00 C ATOM 472 O ILE A 32 18.819 10.754 22.346 1.00 0.00 O ATOM 473 CB ILE A 32 21.867 11.736 22.755 1.00 0.00 C ATOM 474 CG1 ILE A 32 22.867 12.641 23.521 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.234 12.582 21.634 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.191 11.938 23.840 1.00 0.00 C ATOM 0 H ILE A 32 22.367 10.206 24.714 1.00 0.00 H new ATOM 0 HA ILE A 32 20.212 11.986 24.093 1.00 0.00 H new ATOM 0 HB ILE A 32 22.397 10.881 22.334 1.00 0.00 H new ATOM 0 HG12 ILE A 32 23.070 13.532 22.927 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.407 12.975 24.451 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.019 12.982 20.993 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.565 11.958 21.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.670 13.405 22.073 1.00 0.00 H new ATOM 0 HD11 ILE A 32 24.847 12.624 24.376 1.00 0.00 H new ATOM 0 HD12 ILE A 32 23.998 11.062 24.459 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.671 11.628 22.912 1.00 0.00 H new ATOM 488 N LEU A 33 19.937 8.921 22.995 1.00 0.00 N ATOM 489 CA LEU A 33 18.985 7.956 22.426 1.00 0.00 C ATOM 490 C LEU A 33 17.555 8.170 22.949 1.00 0.00 C ATOM 491 O LEU A 33 16.609 8.021 22.184 1.00 0.00 O ATOM 492 CB LEU A 33 19.476 6.526 22.726 1.00 0.00 C ATOM 493 CG LEU A 33 18.630 5.397 22.105 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.765 5.336 20.582 1.00 0.00 C ATOM 495 CD2 LEU A 33 19.071 4.062 22.701 1.00 0.00 C ATOM 0 H LEU A 33 20.737 8.480 23.448 1.00 0.00 H new ATOM 0 HA LEU A 33 18.943 8.111 21.348 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.501 6.429 22.368 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.501 6.387 23.807 1.00 0.00 H new ATOM 0 HG LEU A 33 17.584 5.602 22.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.150 4.524 20.194 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.435 6.280 20.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.807 5.160 20.316 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.478 3.257 22.268 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.125 3.896 22.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.925 4.080 23.781 1.00 0.00 H new ATOM 507 N ASN A 34 17.389 8.571 24.215 1.00 0.00 N ATOM 508 CA ASN A 34 16.083 8.880 24.806 1.00 0.00 C ATOM 509 C ASN A 34 15.339 10.005 24.054 1.00 0.00 C ATOM 510 O ASN A 34 14.129 9.900 23.838 1.00 0.00 O ATOM 511 CB ASN A 34 16.296 9.223 26.290 1.00 0.00 C ATOM 512 CG ASN A 34 14.990 9.475 27.025 1.00 0.00 C ATOM 513 OD1 ASN A 34 14.607 10.605 27.291 1.00 0.00 O ATOM 514 ND2 ASN A 34 14.266 8.436 27.381 1.00 0.00 N ATOM 0 H ASN A 34 18.166 8.691 24.864 1.00 0.00 H new ATOM 0 HA ASN A 34 15.437 8.006 24.718 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.830 8.406 26.775 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.929 10.107 26.368 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.386 8.574 27.878 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.584 7.493 27.160 1.00 0.00 H new ATOM 521 N GLN A 35 16.059 11.040 23.598 1.00 0.00 N ATOM 522 CA GLN A 35 15.497 12.127 22.788 1.00 0.00 C ATOM 523 C GLN A 35 15.039 11.625 21.410 1.00 0.00 C ATOM 524 O GLN A 35 13.937 11.968 20.973 1.00 0.00 O ATOM 525 CB GLN A 35 16.527 13.263 22.639 1.00 0.00 C ATOM 526 CG GLN A 35 15.904 14.532 22.030 1.00 0.00 C ATOM 527 CD GLN A 35 16.956 15.602 21.742 1.00 0.00 C ATOM 528 OE1 GLN A 35 17.483 16.259 22.633 1.00 0.00 O ATOM 529 NE2 GLN A 35 17.306 15.826 20.491 1.00 0.00 N ATOM 0 H GLN A 35 17.056 11.146 23.783 1.00 0.00 H new ATOM 0 HA GLN A 35 14.617 12.512 23.304 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.949 13.500 23.616 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.350 12.925 22.009 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.386 14.275 21.106 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.156 14.933 22.714 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.878 15.288 19.737 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.005 16.537 20.277 1.00 0.00 H new ATOM 538 N HIS A 36 15.844 10.789 20.733 1.00 0.00 N ATOM 539 CA HIS A 36 15.411 10.187 19.468 1.00 0.00 C ATOM 540 C HIS A 36 14.203 9.274 19.684 1.00 0.00 C ATOM 541 O HIS A 36 13.215 9.418 18.974 1.00 0.00 O ATOM 542 CB HIS A 36 16.538 9.430 18.747 1.00 0.00 C ATOM 543 CG HIS A 36 16.136 9.106 17.323 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.221 9.974 16.261 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.479 7.990 16.868 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.635 9.407 15.197 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.147 8.184 15.509 1.00 0.00 N ATOM 0 H HIS A 36 16.780 10.520 21.036 1.00 0.00 H new ATOM 0 HA HIS A 36 15.121 11.012 18.818 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.446 10.033 18.746 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.767 8.510 19.284 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.657 10.896 16.279 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.253 7.110 17.452 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.562 9.865 14.222 1.00 0.00 H new ATOM 555 N GLN A 37 14.244 8.386 20.683 1.00 0.00 N ATOM 556 CA GLN A 37 13.163 7.449 20.995 1.00 0.00 C ATOM 557 C GLN A 37 11.813 8.156 21.161 1.00 0.00 C ATOM 558 O GLN A 37 10.873 7.800 20.455 1.00 0.00 O ATOM 559 CB GLN A 37 13.512 6.627 22.250 1.00 0.00 C ATOM 560 CG GLN A 37 14.491 5.476 21.960 1.00 0.00 C ATOM 561 CD GLN A 37 13.861 4.348 21.141 1.00 0.00 C ATOM 562 OE1 GLN A 37 12.774 3.859 21.424 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.508 3.889 20.089 1.00 0.00 N ATOM 0 H GLN A 37 15.045 8.298 21.308 1.00 0.00 H new ATOM 0 HA GLN A 37 13.062 6.771 20.147 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.947 7.287 23.001 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.596 6.219 22.677 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.355 5.868 21.424 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.858 5.072 22.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.414 4.282 19.836 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.102 3.140 19.527 1.00 0.00 H new ATOM 572 N GLU A 38 11.697 9.172 22.025 1.00 0.00 N ATOM 573 CA GLU A 38 10.406 9.849 22.228 1.00 0.00 C ATOM 574 C GLU A 38 9.886 10.560 20.964 1.00 0.00 C ATOM 575 O GLU A 38 8.692 10.478 20.669 1.00 0.00 O ATOM 576 CB GLU A 38 10.429 10.781 23.454 1.00 0.00 C ATOM 577 CG GLU A 38 11.278 12.053 23.319 1.00 0.00 C ATOM 578 CD GLU A 38 11.114 12.953 24.560 1.00 0.00 C ATOM 579 OE1 GLU A 38 10.196 13.810 24.573 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 11.899 12.821 25.530 1.00 0.00 O ATOM 0 H GLU A 38 12.465 9.540 22.587 1.00 0.00 H new ATOM 0 HA GLU A 38 9.684 9.060 22.439 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.404 11.075 23.681 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.795 10.213 24.310 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.327 11.784 23.195 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.981 12.601 22.425 1.00 0.00 H new ATOM 587 N LYS A 39 10.765 11.206 20.181 1.00 0.00 N ATOM 588 CA LYS A 39 10.377 11.943 18.965 1.00 0.00 C ATOM 589 C LYS A 39 10.005 10.992 17.824 1.00 0.00 C ATOM 590 O LYS A 39 8.954 11.159 17.209 1.00 0.00 O ATOM 591 CB LYS A 39 11.509 12.923 18.593 1.00 0.00 C ATOM 592 CG LYS A 39 11.069 14.086 17.679 1.00 0.00 C ATOM 593 CD LYS A 39 10.980 13.788 16.169 1.00 0.00 C ATOM 594 CE LYS A 39 12.319 13.416 15.512 1.00 0.00 C ATOM 595 NZ LYS A 39 13.263 14.565 15.465 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.766 11.233 20.373 1.00 0.00 H new ATOM 0 HA LYS A 39 9.475 12.524 19.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.931 13.336 19.509 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.305 12.368 18.097 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.091 14.431 18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.765 14.912 17.822 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.275 12.972 16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.572 14.663 15.662 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.776 12.595 16.064 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.137 13.057 14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.151 14.266 15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.839 15.340 14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.459 14.893 16.432 1.00 0.00 H new ATOM 609 N CYS A 40 10.828 9.973 17.579 1.00 0.00 N ATOM 610 CA CYS A 40 10.635 8.937 16.564 1.00 0.00 C ATOM 611 C CYS A 40 9.342 8.133 16.830 1.00 0.00 C ATOM 612 O CYS A 40 8.522 7.961 15.924 1.00 0.00 O ATOM 613 CB CYS A 40 11.919 8.087 16.570 1.00 0.00 C ATOM 614 SG CYS A 40 12.152 7.115 15.059 1.00 0.00 S ATOM 0 H CYS A 40 11.690 9.841 18.109 1.00 0.00 H new ATOM 0 HA CYS A 40 10.487 9.354 15.568 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.779 8.743 16.706 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.894 7.412 17.426 1.00 0.00 H new ATOM 619 N ARG A 41 9.091 7.738 18.092 1.00 0.00 N ATOM 620 CA ARG A 41 7.829 7.109 18.534 1.00 0.00 C ATOM 621 C ARG A 41 6.619 8.026 18.342 1.00 0.00 C ATOM 622 O ARG A 41 5.619 7.586 17.776 1.00 0.00 O ATOM 623 CB ARG A 41 7.925 6.675 20.009 1.00 0.00 C ATOM 624 CG ARG A 41 8.799 5.421 20.204 1.00 0.00 C ATOM 625 CD ARG A 41 9.191 5.195 21.672 1.00 0.00 C ATOM 626 NE ARG A 41 8.022 5.055 22.565 1.00 0.00 N ATOM 627 CZ ARG A 41 8.035 5.101 23.886 1.00 0.00 C ATOM 628 NH1 ARG A 41 9.142 5.223 24.567 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 6.923 5.027 24.561 1.00 0.00 N ATOM 0 H ARG A 41 9.769 7.848 18.846 1.00 0.00 H new ATOM 0 HA ARG A 41 7.681 6.231 17.905 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.336 7.495 20.599 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.924 6.478 20.391 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.261 4.547 19.837 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.702 5.515 19.601 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.806 4.298 21.744 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.803 6.030 22.012 1.00 0.00 H new ATOM 0 HE ARG A 41 7.117 4.909 22.118 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.036 5.286 24.080 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.113 5.255 25.586 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.034 4.933 24.070 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.942 5.063 25.580 1.00 0.00 H new ATOM 643 N TRP A 42 6.700 9.290 18.769 1.00 0.00 N ATOM 644 CA TRP A 42 5.611 10.265 18.602 1.00 0.00 C ATOM 645 C TRP A 42 5.266 10.497 17.124 1.00 0.00 C ATOM 646 O TRP A 42 4.092 10.463 16.752 1.00 0.00 O ATOM 647 CB TRP A 42 5.980 11.586 19.291 1.00 0.00 C ATOM 648 CG TRP A 42 4.916 12.641 19.248 1.00 0.00 C ATOM 649 CD1 TRP A 42 3.959 12.823 20.187 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.662 13.651 18.218 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.133 13.865 19.814 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.511 14.406 18.604 1.00 0.00 C ATOM 653 CE3 TRP A 42 5.278 14.006 16.997 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.996 15.448 17.819 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.766 15.047 16.197 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.626 15.766 16.604 1.00 0.00 C ATOM 0 H TRP A 42 7.521 9.669 19.241 1.00 0.00 H new ATOM 0 HA TRP A 42 4.719 9.853 19.074 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.224 11.379 20.333 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.882 11.982 18.825 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.857 12.241 21.091 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.341 14.194 20.366 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.157 13.470 16.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.126 15.999 18.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.252 15.295 15.265 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.237 16.560 15.984 1.00 0.00 H new ATOM 667 N LEU A 43 6.281 10.672 16.271 1.00 0.00 N ATOM 668 CA LEU A 43 6.126 10.859 14.828 1.00 0.00 C ATOM 669 C LEU A 43 5.505 9.618 14.172 1.00 0.00 C ATOM 670 O LEU A 43 4.504 9.744 13.470 1.00 0.00 O ATOM 671 CB LEU A 43 7.498 11.249 14.241 1.00 0.00 C ATOM 672 CG LEU A 43 7.478 11.745 12.780 1.00 0.00 C ATOM 673 CD1 LEU A 43 8.741 12.568 12.508 1.00 0.00 C ATOM 674 CD2 LEU A 43 7.450 10.615 11.744 1.00 0.00 C ATOM 0 H LEU A 43 7.255 10.688 16.574 1.00 0.00 H new ATOM 0 HA LEU A 43 5.427 11.668 14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.932 12.030 14.866 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.160 10.385 14.304 1.00 0.00 H new ATOM 0 HG LEU A 43 6.563 12.327 12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.731 12.920 11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.770 13.423 13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.622 11.947 12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.437 11.041 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.336 9.991 11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.557 10.008 11.892 1.00 0.00 H new ATOM 686 N ALA A 44 6.033 8.419 14.439 1.00 0.00 N ATOM 687 CA ALA A 44 5.497 7.164 13.906 1.00 0.00 C ATOM 688 C ALA A 44 4.048 6.888 14.360 1.00 0.00 C ATOM 689 O ALA A 44 3.227 6.428 13.563 1.00 0.00 O ATOM 690 CB ALA A 44 6.434 6.018 14.308 1.00 0.00 C ATOM 0 H ALA A 44 6.850 8.292 15.036 1.00 0.00 H new ATOM 0 HA ALA A 44 5.452 7.246 12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.046 5.077 13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.427 6.199 13.898 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.495 5.962 15.395 1.00 0.00 H new ATOM 696 N SER A 45 3.712 7.206 15.616 1.00 0.00 N ATOM 697 CA SER A 45 2.348 7.103 16.157 1.00 0.00 C ATOM 698 C SER A 45 1.384 8.108 15.502 1.00 0.00 C ATOM 699 O SER A 45 0.261 7.749 15.135 1.00 0.00 O ATOM 700 CB SER A 45 2.390 7.314 17.676 1.00 0.00 C ATOM 701 OG SER A 45 1.118 7.094 18.268 1.00 0.00 O ATOM 0 H SER A 45 4.390 7.548 16.297 1.00 0.00 H new ATOM 0 HA SER A 45 1.968 6.107 15.929 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.120 6.636 18.118 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.723 8.329 17.894 1.00 0.00 H new ATOM 0 HG SER A 45 1.179 7.235 19.236 1.00 0.00 H new ATOM 707 N SER A 46 1.829 9.355 15.292 1.00 0.00 N ATOM 708 CA SER A 46 1.043 10.416 14.637 1.00 0.00 C ATOM 709 C SER A 46 0.848 10.178 13.131 1.00 0.00 C ATOM 710 O SER A 46 -0.207 10.511 12.584 1.00 0.00 O ATOM 711 CB SER A 46 1.709 11.784 14.841 1.00 0.00 C ATOM 712 OG SER A 46 1.804 12.096 16.221 1.00 0.00 O ATOM 0 H SER A 46 2.759 9.662 15.576 1.00 0.00 H new ATOM 0 HA SER A 46 0.060 10.397 15.108 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.704 11.780 14.395 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.133 12.554 14.328 1.00 0.00 H new ATOM 0 HG SER A 46 2.561 11.614 16.614 1.00 0.00 H new ATOM 718 N LYS A 47 1.835 9.569 12.459 1.00 0.00 N ATOM 719 CA LYS A 47 1.820 9.173 11.039 1.00 0.00 C ATOM 720 C LYS A 47 0.993 7.893 10.809 1.00 0.00 C ATOM 721 O LYS A 47 1.495 6.867 10.350 1.00 0.00 O ATOM 722 CB LYS A 47 3.277 9.098 10.535 1.00 0.00 C ATOM 723 CG LYS A 47 3.391 9.007 9.003 1.00 0.00 C ATOM 724 CD LYS A 47 4.841 9.229 8.550 1.00 0.00 C ATOM 725 CE LYS A 47 4.947 9.067 7.029 1.00 0.00 C ATOM 726 NZ LYS A 47 6.306 9.417 6.535 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.715 9.325 12.914 1.00 0.00 H new ATOM 0 HA LYS A 47 1.306 9.924 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.819 9.979 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.763 8.230 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.045 8.030 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.743 9.751 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.173 10.225 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.499 8.516 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.713 8.038 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.207 9.703 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.342 9.296 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.519 10.406 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.009 8.794 6.981 1.00 0.00 H new ATOM 740 N GLY A 48 -0.296 7.953 11.156 1.00 0.00 N ATOM 741 CA GLY A 48 -1.266 6.865 10.969 1.00 0.00 C ATOM 742 C GLY A 48 -1.503 6.476 9.500 1.00 0.00 C ATOM 743 O GLY A 48 -1.856 5.328 9.213 1.00 0.00 O ATOM 0 H GLY A 48 -0.707 8.781 11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.919 5.987 11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.217 7.161 11.413 1.00 0.00 H new ATOM 747 N LYS A 49 -1.285 7.409 8.558 1.00 0.00 N ATOM 748 CA LYS A 49 -1.344 7.172 7.106 1.00 0.00 C ATOM 749 C LYS A 49 -0.166 6.298 6.640 1.00 0.00 C ATOM 750 O LYS A 49 0.977 6.757 6.605 1.00 0.00 O ATOM 751 CB LYS A 49 -1.376 8.527 6.365 1.00 0.00 C ATOM 752 CG LYS A 49 -1.867 8.405 4.914 1.00 0.00 C ATOM 753 CD LYS A 49 -3.398 8.282 4.838 1.00 0.00 C ATOM 754 CE LYS A 49 -3.864 8.116 3.386 1.00 0.00 C ATOM 755 NZ LYS A 49 -5.346 8.072 3.292 1.00 0.00 N1+ ATOM 0 H LYS A 49 -1.057 8.375 8.792 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.257 6.625 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.025 9.216 6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.376 8.961 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.544 9.278 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.409 7.533 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.728 7.428 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.860 9.168 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.484 8.942 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.445 7.200 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.628 7.959 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.705 7.269 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.744 8.957 3.666 1.00 0.00 H new ATOM 769 N GLN A 50 -0.438 5.042 6.278 1.00 0.00 N ATOM 770 CA GLN A 50 0.560 4.124 5.712 1.00 0.00 C ATOM 771 C GLN A 50 1.017 4.601 4.319 1.00 0.00 C ATOM 772 O GLN A 50 0.189 4.784 3.422 1.00 0.00 O ATOM 773 CB GLN A 50 -0.041 2.706 5.654 1.00 0.00 C ATOM 774 CG GLN A 50 0.979 1.616 5.274 1.00 0.00 C ATOM 775 CD GLN A 50 2.098 1.417 6.302 1.00 0.00 C ATOM 776 OE1 GLN A 50 1.948 1.641 7.497 1.00 0.00 O ATOM 777 NE2 GLN A 50 3.273 0.999 5.882 1.00 0.00 N ATOM 0 H GLN A 50 -1.365 4.627 6.369 1.00 0.00 H new ATOM 0 HA GLN A 50 1.445 4.108 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.473 2.464 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.857 2.696 4.931 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.452 0.671 5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.425 1.871 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.421 0.806 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.035 0.868 6.547 1.00 0.00 H new ATOM 786 N VAL A 51 2.328 4.791 4.134 1.00 0.00 N ATOM 787 CA VAL A 51 2.960 5.290 2.891 1.00 0.00 C ATOM 788 C VAL A 51 4.355 4.680 2.682 1.00 0.00 C ATOM 789 O VAL A 51 4.959 4.166 3.629 1.00 0.00 O ATOM 790 CB VAL A 51 3.070 6.836 2.881 1.00 0.00 C ATOM 791 CG1 VAL A 51 1.699 7.522 2.846 1.00 0.00 C ATOM 792 CG2 VAL A 51 3.859 7.403 4.071 1.00 0.00 C ATOM 0 H VAL A 51 3.009 4.597 4.868 1.00 0.00 H new ATOM 0 HA VAL A 51 2.311 4.980 2.072 1.00 0.00 H new ATOM 0 HB VAL A 51 3.616 7.055 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.833 8.604 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.163 7.218 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.125 7.232 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.895 8.490 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.369 7.117 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.873 7.004 4.058 1.00 0.00 H new ATOM 802 N ARG A 52 4.894 4.754 1.454 1.00 0.00 N ATOM 803 CA ARG A 52 6.272 4.333 1.124 1.00 0.00 C ATOM 804 C ARG A 52 7.303 5.061 2.002 1.00 0.00 C ATOM 805 O ARG A 52 7.188 6.265 2.241 1.00 0.00 O ATOM 806 CB ARG A 52 6.537 4.572 -0.375 1.00 0.00 C ATOM 807 CG ARG A 52 7.842 3.907 -0.853 1.00 0.00 C ATOM 808 CD ARG A 52 8.186 4.249 -2.312 1.00 0.00 C ATOM 809 NE ARG A 52 8.456 5.690 -2.505 1.00 0.00 N ATOM 810 CZ ARG A 52 9.532 6.370 -2.143 1.00 0.00 C ATOM 811 NH1 ARG A 52 10.559 5.808 -1.567 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 9.594 7.653 -2.351 1.00 0.00 N ATOM 0 H ARG A 52 4.380 5.112 0.649 1.00 0.00 H new ATOM 0 HA ARG A 52 6.377 3.268 1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.700 4.184 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.587 5.644 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.662 4.222 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.752 2.826 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.059 3.674 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.361 3.947 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 52 7.725 6.224 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.553 4.805 -1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.368 6.371 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.812 8.136 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.424 8.175 -2.071 1.00 0.00 H new ATOM 826 N ASN A 53 8.305 4.323 2.482 1.00 0.00 N ATOM 827 CA ASN A 53 9.313 4.789 3.443 1.00 0.00 C ATOM 828 C ASN A 53 10.645 4.022 3.282 1.00 0.00 C ATOM 829 O ASN A 53 10.658 2.867 2.846 1.00 0.00 O ATOM 830 CB ASN A 53 8.723 4.658 4.865 1.00 0.00 C ATOM 831 CG ASN A 53 8.329 3.234 5.239 1.00 0.00 C ATOM 832 OD1 ASN A 53 9.099 2.482 5.818 1.00 0.00 O ATOM 833 ND2 ASN A 53 7.121 2.810 4.932 1.00 0.00 N ATOM 0 H ASN A 53 8.444 3.351 2.205 1.00 0.00 H new ATOM 0 HA ASN A 53 9.553 5.835 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.453 5.024 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.846 5.301 4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.836 1.862 5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.471 3.430 4.449 1.00 0.00 H new ATOM 840 N PHE A 54 11.766 4.675 3.602 1.00 0.00 N ATOM 841 CA PHE A 54 13.121 4.140 3.396 1.00 0.00 C ATOM 842 C PHE A 54 13.536 3.086 4.442 1.00 0.00 C ATOM 843 O PHE A 54 13.166 3.173 5.619 1.00 0.00 O ATOM 844 CB PHE A 54 14.127 5.302 3.386 1.00 0.00 C ATOM 845 CG PHE A 54 14.000 6.215 2.179 1.00 0.00 C ATOM 846 CD1 PHE A 54 14.465 5.776 0.924 1.00 0.00 C ATOM 847 CD2 PHE A 54 13.423 7.494 2.301 1.00 0.00 C ATOM 848 CE1 PHE A 54 14.352 6.610 -0.204 1.00 0.00 C ATOM 849 CE2 PHE A 54 13.311 8.328 1.173 1.00 0.00 C ATOM 850 CZ PHE A 54 13.777 7.887 -0.080 1.00 0.00 C ATOM 0 H PHE A 54 11.761 5.606 4.019 1.00 0.00 H new ATOM 0 HA PHE A 54 13.118 3.624 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.994 5.893 4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.138 4.895 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.910 4.797 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 54 13.066 7.835 3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 54 14.707 6.269 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.867 9.308 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.693 8.529 -0.945 1.00 0.00 H new ATOM 860 N SER A 55 14.340 2.107 4.005 1.00 0.00 N ATOM 861 CA SER A 55 15.008 1.086 4.838 1.00 0.00 C ATOM 862 C SER A 55 16.205 1.614 5.650 1.00 0.00 C ATOM 863 O SER A 55 16.601 0.925 6.617 1.00 0.00 O ATOM 864 CB SER A 55 15.440 -0.095 3.958 1.00 0.00 C ATOM 865 OG SER A 55 16.221 0.357 2.858 1.00 0.00 O ATOM 866 OXT SER A 55 16.749 2.701 5.336 1.00 0.00 O1- ATOM 0 H SER A 55 14.555 1.996 3.014 1.00 0.00 H new ATOM 0 HA SER A 55 14.273 0.766 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.015 -0.806 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.560 -0.624 3.593 1.00 0.00 H new ATOM 0 HG SER A 55 16.488 -0.410 2.310 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 13.958 7.145 14.269 1.00 0.00 ZN