USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -46:sc= 0.086 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 156:sc= 0.259 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 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 37 GLN : amide:sc= -0.204 X(o=-0.2,f=0) 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 -161:sc= 0.17 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= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.237 -7.642 -1.823 1.00 0.00 N ATOM 2 CA GLY A 1 18.714 -6.269 -1.978 1.00 0.00 C ATOM 3 C GLY A 1 19.767 -5.336 -2.543 1.00 0.00 C ATOM 4 O GLY A 1 19.970 -5.313 -3.758 1.00 0.00 O ATOM 0 H1 GLY A 1 18.492 -8.255 -1.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.537 -8.006 -2.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.051 -7.633 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.846 -6.281 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.376 -5.896 -1.011 1.00 0.00 H new ATOM 10 N SER A 2 20.462 -4.600 -1.671 1.00 0.00 N ATOM 11 CA SER A 2 21.557 -3.668 -2.014 1.00 0.00 C ATOM 12 C SER A 2 22.744 -3.836 -1.051 1.00 0.00 C ATOM 13 O SER A 2 22.594 -4.374 0.049 1.00 0.00 O ATOM 14 CB SER A 2 21.052 -2.217 -1.950 1.00 0.00 C ATOM 15 OG SER A 2 20.010 -2.004 -2.895 1.00 0.00 O ATOM 0 H SER A 2 20.276 -4.633 -0.669 1.00 0.00 H new ATOM 0 HA SER A 2 21.891 -3.897 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.689 -1.997 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.876 -1.531 -2.149 1.00 0.00 H new ATOM 0 HG SER A 2 19.701 -1.076 -2.838 1.00 0.00 H new ATOM 21 N GLU A 3 23.932 -3.368 -1.445 1.00 0.00 N ATOM 22 CA GLU A 3 25.190 -3.569 -0.708 1.00 0.00 C ATOM 23 C GLU A 3 26.089 -2.321 -0.786 1.00 0.00 C ATOM 24 O GLU A 3 26.658 -2.004 -1.835 1.00 0.00 O ATOM 25 CB GLU A 3 25.894 -4.828 -1.256 1.00 0.00 C ATOM 26 CG GLU A 3 27.135 -5.249 -0.455 1.00 0.00 C ATOM 27 CD GLU A 3 26.775 -5.713 0.970 1.00 0.00 C ATOM 28 OE1 GLU A 3 26.494 -6.919 1.172 1.00 0.00 O ATOM 29 OE2 GLU A 3 26.770 -4.868 1.899 1.00 0.00 O1- ATOM 0 H GLU A 3 24.052 -2.828 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 3 24.974 -3.722 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.183 -5.654 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.186 -4.647 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 3 27.648 -6.055 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.831 -4.412 -0.398 1.00 0.00 H new ATOM 36 N PHE A 4 26.195 -1.588 0.325 1.00 0.00 N ATOM 37 CA PHE A 4 26.945 -0.331 0.432 1.00 0.00 C ATOM 38 C PHE A 4 28.451 -0.584 0.657 1.00 0.00 C ATOM 39 O PHE A 4 28.956 -0.535 1.782 1.00 0.00 O ATOM 40 CB PHE A 4 26.293 0.553 1.510 1.00 0.00 C ATOM 41 CG PHE A 4 26.757 1.998 1.495 1.00 0.00 C ATOM 42 CD1 PHE A 4 26.379 2.844 0.434 1.00 0.00 C ATOM 43 CD2 PHE A 4 27.549 2.506 2.542 1.00 0.00 C ATOM 44 CE1 PHE A 4 26.788 4.189 0.421 1.00 0.00 C ATOM 45 CE2 PHE A 4 27.955 3.852 2.531 1.00 0.00 C ATOM 46 CZ PHE A 4 27.572 4.693 1.472 1.00 0.00 C ATOM 0 H PHE A 4 25.749 -1.859 1.201 1.00 0.00 H new ATOM 0 HA PHE A 4 26.895 0.213 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.211 0.529 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 4 26.504 0.126 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 4 25.773 2.458 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.845 1.860 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 4 26.500 4.834 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 4 28.561 4.240 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 4 27.881 5.728 1.466 1.00 0.00 H new ATOM 56 N THR A 5 29.164 -0.903 -0.429 1.00 0.00 N ATOM 57 CA THR A 5 30.578 -1.349 -0.438 1.00 0.00 C ATOM 58 C THR A 5 31.455 -0.530 -1.414 1.00 0.00 C ATOM 59 O THR A 5 32.520 -0.959 -1.864 1.00 0.00 O ATOM 60 CB THR A 5 30.622 -2.877 -0.659 1.00 0.00 C ATOM 61 OG1 THR A 5 31.880 -3.416 -0.306 1.00 0.00 O ATOM 62 CG2 THR A 5 30.274 -3.320 -2.083 1.00 0.00 C ATOM 0 H THR A 5 28.764 -0.859 -1.366 1.00 0.00 H new ATOM 0 HA THR A 5 31.031 -1.148 0.533 1.00 0.00 H new ATOM 0 HB THR A 5 29.845 -3.267 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 5 32.592 -2.864 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 5 30.329 -4.407 -2.150 1.00 0.00 H new ATOM 0 HG22 THR A 5 29.264 -2.992 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 5 30.981 -2.877 -2.785 1.00 0.00 H new ATOM 70 N SER A 6 31.000 0.681 -1.752 1.00 0.00 N ATOM 71 CA SER A 6 31.503 1.532 -2.846 1.00 0.00 C ATOM 72 C SER A 6 31.750 2.988 -2.396 1.00 0.00 C ATOM 73 O SER A 6 31.310 3.952 -3.030 1.00 0.00 O ATOM 74 CB SER A 6 30.554 1.417 -4.054 1.00 0.00 C ATOM 75 OG SER A 6 29.196 1.631 -3.680 1.00 0.00 O ATOM 0 H SER A 6 30.231 1.121 -1.246 1.00 0.00 H new ATOM 0 HA SER A 6 32.485 1.173 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.841 2.145 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.656 0.430 -4.504 1.00 0.00 H new ATOM 0 HG SER A 6 28.623 1.552 -4.471 1.00 0.00 H new ATOM 81 N SER A 7 32.467 3.142 -1.275 1.00 0.00 N ATOM 82 CA SER A 7 32.776 4.424 -0.609 1.00 0.00 C ATOM 83 C SER A 7 34.281 4.591 -0.318 1.00 0.00 C ATOM 84 O SER A 7 34.996 3.588 -0.214 1.00 0.00 O ATOM 85 CB SER A 7 31.986 4.512 0.707 1.00 0.00 C ATOM 86 OG SER A 7 30.626 4.796 0.438 1.00 0.00 O ATOM 0 H SER A 7 32.867 2.344 -0.782 1.00 0.00 H new ATOM 0 HA SER A 7 32.487 5.226 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.068 3.573 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 7 32.409 5.289 1.343 1.00 0.00 H new ATOM 0 HG SER A 7 30.073 4.486 1.186 1.00 0.00 H new ATOM 92 N PRO A 8 34.786 5.836 -0.154 1.00 0.00 N ATOM 93 CA PRO A 8 36.213 6.112 0.072 1.00 0.00 C ATOM 94 C PRO A 8 36.720 5.701 1.468 1.00 0.00 C ATOM 95 O PRO A 8 37.931 5.570 1.671 1.00 0.00 O ATOM 96 CB PRO A 8 36.368 7.623 -0.148 1.00 0.00 C ATOM 97 CG PRO A 8 34.999 8.180 0.233 1.00 0.00 C ATOM 98 CD PRO A 8 34.047 7.091 -0.257 1.00 0.00 C ATOM 0 HA PRO A 8 36.819 5.517 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 8 37.159 8.040 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 8 36.622 7.854 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 8 34.912 8.341 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 8 34.802 9.137 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 8 33.142 7.062 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.736 7.278 -1.285 1.00 0.00 H new ATOM 106 N ARG A 9 35.806 5.483 2.425 1.00 0.00 N ATOM 107 CA ARG A 9 36.070 5.014 3.797 1.00 0.00 C ATOM 108 C ARG A 9 34.909 4.163 4.325 1.00 0.00 C ATOM 109 O ARG A 9 33.804 4.209 3.777 1.00 0.00 O ATOM 110 CB ARG A 9 36.368 6.228 4.705 1.00 0.00 C ATOM 111 CG ARG A 9 35.141 7.111 5.010 1.00 0.00 C ATOM 112 CD ARG A 9 35.526 8.504 5.529 1.00 0.00 C ATOM 113 NE ARG A 9 36.344 8.455 6.760 1.00 0.00 N ATOM 114 CZ ARG A 9 37.028 9.457 7.288 1.00 0.00 C ATOM 115 NH1 ARG A 9 37.008 10.657 6.776 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 37.756 9.273 8.353 1.00 0.00 N ATOM 0 H ARG A 9 34.812 5.636 2.256 1.00 0.00 H new ATOM 0 HA ARG A 9 36.947 4.367 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.785 5.869 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.134 6.842 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 9 34.542 7.218 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 9 34.515 6.613 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.078 9.035 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.619 9.077 5.724 1.00 0.00 H new ATOM 0 HE ARG A 9 36.385 7.561 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.452 10.846 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.548 11.406 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 9 37.802 8.351 8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.280 10.051 8.753 1.00 0.00 H new ATOM 130 N GLY A 10 35.147 3.418 5.402 1.00 0.00 N ATOM 131 CA GLY A 10 34.128 2.620 6.091 1.00 0.00 C ATOM 132 C GLY A 10 34.647 1.963 7.375 1.00 0.00 C ATOM 133 O GLY A 10 35.844 1.708 7.525 1.00 0.00 O ATOM 0 H GLY A 10 36.070 3.349 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.278 3.258 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.763 1.846 5.416 1.00 0.00 H new ATOM 137 N ASP A 11 33.731 1.700 8.306 1.00 0.00 N ATOM 138 CA ASP A 11 33.977 1.133 9.639 1.00 0.00 C ATOM 139 C ASP A 11 32.672 0.572 10.249 1.00 0.00 C ATOM 140 O ASP A 11 31.603 0.652 9.630 1.00 0.00 O ATOM 141 CB ASP A 11 34.609 2.205 10.555 1.00 0.00 C ATOM 142 CG ASP A 11 33.680 3.401 10.832 1.00 0.00 C ATOM 143 OD1 ASP A 11 32.873 3.335 11.787 1.00 0.00 O ATOM 144 OD2 ASP A 11 33.774 4.427 10.110 1.00 0.00 O1- ATOM 0 H ASP A 11 32.741 1.886 8.145 1.00 0.00 H new ATOM 0 HA ASP A 11 34.676 0.302 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 11 34.887 1.744 11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 11 35.528 2.568 10.096 1.00 0.00 H new ATOM 149 N LYS A 12 32.746 0.027 11.471 1.00 0.00 N ATOM 150 CA LYS A 12 31.583 -0.416 12.259 1.00 0.00 C ATOM 151 C LYS A 12 31.739 -0.006 13.731 1.00 0.00 C ATOM 152 O LYS A 12 32.827 -0.125 14.300 1.00 0.00 O ATOM 153 CB LYS A 12 31.414 -1.944 12.106 1.00 0.00 C ATOM 154 CG LYS A 12 29.951 -2.410 12.240 1.00 0.00 C ATOM 155 CD LYS A 12 29.109 -2.175 10.972 1.00 0.00 C ATOM 156 CE LYS A 12 29.496 -3.149 9.848 1.00 0.00 C ATOM 157 NZ LYS A 12 28.720 -2.899 8.605 1.00 0.00 N1+ ATOM 0 H LYS A 12 33.634 -0.122 11.951 1.00 0.00 H new ATOM 0 HA LYS A 12 30.682 0.070 11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 12 31.798 -2.250 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 32.019 -2.447 12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 29.938 -3.473 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 12 29.487 -1.886 13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 12 28.052 -2.294 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 12 29.245 -1.149 10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 30.561 -3.054 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 12 29.327 -4.173 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 29.011 -3.577 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 27.705 -3.015 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 28.900 -1.930 8.272 1.00 0.00 H new ATOM 171 N ALA A 13 30.642 0.448 14.343 1.00 0.00 N ATOM 172 CA ALA A 13 30.589 0.967 15.718 1.00 0.00 C ATOM 173 C ALA A 13 29.343 0.466 16.488 1.00 0.00 C ATOM 174 O ALA A 13 28.825 1.135 17.381 1.00 0.00 O ATOM 175 CB ALA A 13 30.697 2.499 15.657 1.00 0.00 C ATOM 0 H ALA A 13 29.733 0.466 13.881 1.00 0.00 H new ATOM 0 HA ALA A 13 31.431 0.581 16.293 1.00 0.00 H new ATOM 0 HB1 ALA A 13 30.660 2.907 16.667 1.00 0.00 H new ATOM 0 HB2 ALA A 13 31.640 2.779 15.187 1.00 0.00 H new ATOM 0 HB3 ALA A 13 29.868 2.899 15.073 1.00 0.00 H new ATOM 181 N ALA A 14 28.847 -0.724 16.128 1.00 0.00 N ATOM 182 CA ALA A 14 27.677 -1.374 16.730 1.00 0.00 C ATOM 183 C ALA A 14 28.022 -2.306 17.921 1.00 0.00 C ATOM 184 O ALA A 14 27.163 -3.054 18.395 1.00 0.00 O ATOM 185 CB ALA A 14 26.947 -2.122 15.604 1.00 0.00 C ATOM 0 H ALA A 14 29.265 -1.281 15.382 1.00 0.00 H new ATOM 0 HA ALA A 14 27.034 -0.613 17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 14 26.067 -2.621 16.010 1.00 0.00 H new ATOM 0 HB2 ALA A 14 26.639 -1.413 14.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 27.616 -2.863 15.167 1.00 0.00 H new ATOM 191 N TYR A 15 29.276 -2.289 18.395 1.00 0.00 N ATOM 192 CA TYR A 15 29.824 -3.145 19.463 1.00 0.00 C ATOM 193 C TYR A 15 29.334 -2.749 20.878 1.00 0.00 C ATOM 194 O TYR A 15 30.111 -2.339 21.741 1.00 0.00 O ATOM 195 CB TYR A 15 31.360 -3.177 19.334 1.00 0.00 C ATOM 196 CG TYR A 15 32.036 -4.281 20.132 1.00 0.00 C ATOM 197 CD1 TYR A 15 31.966 -5.613 19.676 1.00 0.00 C ATOM 198 CD2 TYR A 15 32.732 -3.983 21.321 1.00 0.00 C ATOM 199 CE1 TYR A 15 32.579 -6.645 20.412 1.00 0.00 C ATOM 200 CE2 TYR A 15 33.343 -5.013 22.063 1.00 0.00 C ATOM 201 CZ TYR A 15 33.267 -6.350 21.611 1.00 0.00 C ATOM 202 OH TYR A 15 33.849 -7.356 22.320 1.00 0.00 O ATOM 0 H TYR A 15 29.975 -1.644 18.025 1.00 0.00 H new ATOM 0 HA TYR A 15 29.441 -4.157 19.332 1.00 0.00 H new ATOM 0 HB2 TYR A 15 31.621 -3.294 18.282 1.00 0.00 H new ATOM 0 HB3 TYR A 15 31.759 -2.216 19.657 1.00 0.00 H new ATOM 0 HD1 TYR A 15 31.441 -5.842 18.760 1.00 0.00 H new ATOM 0 HD2 TYR A 15 32.797 -2.961 21.664 1.00 0.00 H new ATOM 0 HE1 TYR A 15 32.523 -7.664 20.060 1.00 0.00 H new ATOM 0 HE2 TYR A 15 33.869 -4.781 22.977 1.00 0.00 H new ATOM 0 HH TYR A 15 34.282 -6.986 23.117 1.00 0.00 H new ATOM 212 N ASP A 16 28.016 -2.816 21.101 1.00 0.00 N ATOM 213 CA ASP A 16 27.317 -2.492 22.362 1.00 0.00 C ATOM 214 C ASP A 16 27.635 -1.085 22.935 1.00 0.00 C ATOM 215 O ASP A 16 27.567 -0.852 24.146 1.00 0.00 O ATOM 216 CB ASP A 16 27.511 -3.634 23.380 1.00 0.00 C ATOM 217 CG ASP A 16 26.995 -4.983 22.851 1.00 0.00 C ATOM 218 OD1 ASP A 16 25.761 -5.135 22.682 1.00 0.00 O1- ATOM 219 OD2 ASP A 16 27.816 -5.904 22.616 1.00 0.00 O ATOM 0 H ASP A 16 27.369 -3.113 20.371 1.00 0.00 H new ATOM 0 HA ASP A 16 26.254 -2.422 22.129 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.569 -3.723 23.625 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.990 -3.386 24.305 1.00 0.00 H new ATOM 224 N ILE A 17 27.968 -0.137 22.050 1.00 0.00 N ATOM 225 CA ILE A 17 28.398 1.242 22.363 1.00 0.00 C ATOM 226 C ILE A 17 27.431 2.308 21.809 1.00 0.00 C ATOM 227 O ILE A 17 27.290 3.378 22.405 1.00 0.00 O ATOM 228 CB ILE A 17 29.860 1.455 21.887 1.00 0.00 C ATOM 229 CG1 ILE A 17 30.368 2.873 22.242 1.00 0.00 C ATOM 230 CG2 ILE A 17 30.044 1.161 20.383 1.00 0.00 C ATOM 231 CD1 ILE A 17 31.851 3.119 21.938 1.00 0.00 C ATOM 0 H ILE A 17 27.946 -0.314 21.046 1.00 0.00 H new ATOM 0 HA ILE A 17 28.369 1.371 23.445 1.00 0.00 H new ATOM 0 HB ILE A 17 30.469 0.730 22.427 1.00 0.00 H new ATOM 0 HG12 ILE A 17 29.773 3.604 21.695 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.195 3.051 23.303 1.00 0.00 H new ATOM 0 HG21 ILE A 17 31.085 1.326 20.105 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.774 0.125 20.179 1.00 0.00 H new ATOM 0 HG23 ILE A 17 29.403 1.824 19.802 1.00 0.00 H new ATOM 0 HD11 ILE A 17 32.116 4.138 22.219 1.00 0.00 H new ATOM 0 HD12 ILE A 17 32.460 2.416 22.506 1.00 0.00 H new ATOM 0 HD13 ILE A 17 32.032 2.978 20.872 1.00 0.00 H new ATOM 243 N LEU A 18 26.719 1.999 20.721 1.00 0.00 N ATOM 244 CA LEU A 18 25.725 2.851 20.059 1.00 0.00 C ATOM 245 C LEU A 18 24.494 2.017 19.644 1.00 0.00 C ATOM 246 O LEU A 18 24.591 0.794 19.498 1.00 0.00 O ATOM 247 CB LEU A 18 26.348 3.500 18.803 1.00 0.00 C ATOM 248 CG LEU A 18 27.599 4.384 18.988 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.171 4.777 17.624 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.321 5.680 19.751 1.00 0.00 C ATOM 0 H LEU A 18 26.826 1.099 20.253 1.00 0.00 H new ATOM 0 HA LEU A 18 25.411 3.627 20.757 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.604 2.701 18.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.579 4.106 18.324 1.00 0.00 H new ATOM 0 HG LEU A 18 28.299 3.783 19.568 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.054 5.401 17.766 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.447 3.878 17.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.421 5.332 17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.244 6.252 19.844 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.582 6.270 19.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.939 5.443 20.744 1.00 0.00 H new ATOM 262 N ARG A 19 23.361 2.679 19.383 1.00 0.00 N ATOM 263 CA ARG A 19 22.118 2.084 18.845 1.00 0.00 C ATOM 264 C ARG A 19 21.668 2.860 17.607 1.00 0.00 C ATOM 265 O ARG A 19 21.644 4.092 17.635 1.00 0.00 O ATOM 266 CB ARG A 19 21.051 2.071 19.962 1.00 0.00 C ATOM 267 CG ARG A 19 19.732 1.341 19.625 1.00 0.00 C ATOM 268 CD ARG A 19 18.679 2.234 18.949 1.00 0.00 C ATOM 269 NE ARG A 19 17.426 1.502 18.665 1.00 0.00 N ATOM 270 CZ ARG A 19 16.392 1.950 17.970 1.00 0.00 C ATOM 271 NH1 ARG A 19 16.344 3.165 17.503 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 15.367 1.180 17.737 1.00 0.00 N ATOM 0 H ARG A 19 23.275 3.682 19.545 1.00 0.00 H new ATOM 0 HA ARG A 19 22.283 1.054 18.529 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.485 1.606 20.847 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.816 3.102 20.226 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.952 0.497 18.971 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.311 0.931 20.543 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.462 3.087 19.592 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.085 2.631 18.019 1.00 0.00 H new ATOM 0 HE ARG A 19 17.351 0.557 19.042 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.120 3.806 17.669 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.531 3.475 16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.357 0.223 18.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.575 1.534 17.201 1.00 0.00 H new ATOM 286 N ARG A 20 21.287 2.139 16.543 1.00 0.00 N ATOM 287 CA ARG A 20 20.785 2.692 15.268 1.00 0.00 C ATOM 288 C ARG A 20 19.276 2.466 15.120 1.00 0.00 C ATOM 289 O ARG A 20 18.764 1.430 15.548 1.00 0.00 O ATOM 290 CB ARG A 20 21.545 2.050 14.088 1.00 0.00 C ATOM 291 CG ARG A 20 21.528 2.931 12.823 1.00 0.00 C ATOM 292 CD ARG A 20 21.715 2.150 11.514 1.00 0.00 C ATOM 293 NE ARG A 20 22.936 1.320 11.495 1.00 0.00 N ATOM 294 CZ ARG A 20 23.432 0.689 10.444 1.00 0.00 C ATOM 295 NH1 ARG A 20 22.911 0.803 9.254 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.472 -0.086 10.568 1.00 0.00 N ATOM 0 H ARG A 20 21.319 1.120 16.542 1.00 0.00 H new ATOM 0 HA ARG A 20 20.960 3.768 15.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.578 1.865 14.383 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.101 1.082 13.858 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.581 3.469 12.781 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.317 3.679 12.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.847 1.510 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.750 2.853 10.682 1.00 0.00 H new ATOM 0 HE ARG A 20 23.444 1.224 12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.093 1.395 9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.322 0.300 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.910 -0.210 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.848 -0.569 9.752 1.00 0.00 H new ATOM 310 N CYS A 21 18.582 3.415 14.492 1.00 0.00 N ATOM 311 CA CYS A 21 17.135 3.390 14.265 1.00 0.00 C ATOM 312 C CYS A 21 16.823 3.034 12.796 1.00 0.00 C ATOM 313 O CYS A 21 17.325 3.676 11.867 1.00 0.00 O ATOM 314 CB CYS A 21 16.605 4.767 14.687 1.00 0.00 C ATOM 315 SG CYS A 21 14.828 4.696 15.061 1.00 0.00 S ATOM 0 H CYS A 21 19.026 4.252 14.114 1.00 0.00 H new ATOM 0 HA CYS A 21 16.638 2.619 14.854 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.151 5.118 15.563 1.00 0.00 H new ATOM 0 HB3 CYS A 21 16.784 5.489 13.890 1.00 0.00 H new ATOM 320 N SER A 22 16.011 1.995 12.585 1.00 0.00 N ATOM 321 CA SER A 22 15.738 1.368 11.277 1.00 0.00 C ATOM 322 C SER A 22 15.017 2.255 10.246 1.00 0.00 C ATOM 323 O SER A 22 14.970 1.901 9.064 1.00 0.00 O ATOM 324 CB SER A 22 14.948 0.067 11.477 1.00 0.00 C ATOM 325 OG SER A 22 13.716 0.320 12.140 1.00 0.00 O ATOM 0 H SER A 22 15.503 1.545 13.347 1.00 0.00 H new ATOM 0 HA SER A 22 16.723 1.179 10.849 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.757 -0.400 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.541 -0.638 12.059 1.00 0.00 H new ATOM 0 HG SER A 22 13.228 -0.522 12.256 1.00 0.00 H new ATOM 331 N GLN A 23 14.499 3.417 10.662 1.00 0.00 N ATOM 332 CA GLN A 23 13.831 4.408 9.802 1.00 0.00 C ATOM 333 C GLN A 23 14.562 5.768 9.753 1.00 0.00 C ATOM 334 O GLN A 23 14.130 6.669 9.023 1.00 0.00 O ATOM 335 CB GLN A 23 12.371 4.582 10.257 1.00 0.00 C ATOM 336 CG GLN A 23 11.518 3.322 10.043 1.00 0.00 C ATOM 337 CD GLN A 23 10.045 3.520 10.410 1.00 0.00 C ATOM 338 OE1 GLN A 23 9.474 4.603 10.335 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.356 2.472 10.813 1.00 0.00 N ATOM 0 H GLN A 23 14.533 3.705 11.640 1.00 0.00 H new ATOM 0 HA GLN A 23 13.857 4.023 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.356 4.849 11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.924 5.413 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.588 3.017 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.928 2.508 10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.808 1.561 10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.370 2.572 11.054 1.00 0.00 H new ATOM 348 N CYS A 24 15.692 5.900 10.468 1.00 0.00 N ATOM 349 CA CYS A 24 16.378 7.176 10.689 1.00 0.00 C ATOM 350 C CYS A 24 17.885 7.147 10.343 1.00 0.00 C ATOM 351 O CYS A 24 18.443 8.170 9.941 1.00 0.00 O ATOM 352 CB CYS A 24 16.180 7.617 12.150 1.00 0.00 C ATOM 353 SG CYS A 24 14.585 7.179 12.902 1.00 0.00 S ATOM 0 H CYS A 24 16.158 5.110 10.913 1.00 0.00 H new ATOM 0 HA CYS A 24 15.928 7.894 10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.976 7.179 12.752 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.299 8.699 12.202 1.00 0.00 H new ATOM 358 N GLY A 25 18.553 6.001 10.512 1.00 0.00 N ATOM 359 CA GLY A 25 19.956 5.764 10.141 1.00 0.00 C ATOM 360 C GLY A 25 21.017 6.367 11.078 1.00 0.00 C ATOM 361 O GLY A 25 22.159 5.908 11.058 1.00 0.00 O ATOM 0 H GLY A 25 18.115 5.179 10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.119 4.688 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 25 20.118 6.162 9.139 1.00 0.00 H new ATOM 365 N ILE A 26 20.664 7.357 11.905 1.00 0.00 N ATOM 366 CA ILE A 26 21.518 7.938 12.958 1.00 0.00 C ATOM 367 C ILE A 26 21.884 6.900 14.039 1.00 0.00 C ATOM 368 O ILE A 26 21.121 5.965 14.294 1.00 0.00 O ATOM 369 CB ILE A 26 20.814 9.189 13.555 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.639 9.979 14.597 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.448 8.853 14.191 1.00 0.00 C ATOM 372 CD1 ILE A 26 22.973 10.525 14.071 1.00 0.00 C ATOM 0 H ILE A 26 19.744 7.794 11.862 1.00 0.00 H new ATOM 0 HA ILE A 26 22.464 8.250 12.516 1.00 0.00 H new ATOM 0 HB ILE A 26 20.687 9.826 12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.038 10.812 14.961 1.00 0.00 H new ATOM 0 HG13 ILE A 26 21.837 9.332 15.451 1.00 0.00 H new ATOM 0 HG21 ILE A 26 19.000 9.762 14.592 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.789 8.427 13.434 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.589 8.132 14.996 1.00 0.00 H new ATOM 0 HD11 ILE A 26 23.485 11.065 14.868 1.00 0.00 H new ATOM 0 HD12 ILE A 26 23.597 9.697 13.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 22.786 11.201 13.237 1.00 0.00 H new ATOM 384 N LEU A 27 23.029 7.090 14.703 1.00 0.00 N ATOM 385 CA LEU A 27 23.518 6.283 15.827 1.00 0.00 C ATOM 386 C LEU A 27 23.653 7.165 17.082 1.00 0.00 C ATOM 387 O LEU A 27 24.307 8.208 17.030 1.00 0.00 O ATOM 388 CB LEU A 27 24.892 5.656 15.499 1.00 0.00 C ATOM 389 CG LEU A 27 24.911 4.520 14.458 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.953 5.034 13.018 1.00 0.00 C ATOM 391 CD2 LEU A 27 26.163 3.660 14.653 1.00 0.00 C ATOM 0 H LEU A 27 23.670 7.845 14.461 1.00 0.00 H new ATOM 0 HA LEU A 27 22.800 5.483 16.009 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.551 6.449 15.147 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.320 5.274 16.426 1.00 0.00 H new ATOM 0 HG LEU A 27 23.992 3.955 14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.965 4.189 12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 27 24.073 5.647 12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.852 5.633 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 26.172 2.858 13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 27.052 4.278 14.528 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.157 3.231 15.655 1.00 0.00 H new ATOM 403 N LEU A 28 23.076 6.731 18.210 1.00 0.00 N ATOM 404 CA LEU A 28 23.117 7.433 19.507 1.00 0.00 C ATOM 405 C LEU A 28 23.713 6.523 20.606 1.00 0.00 C ATOM 406 O LEU A 28 23.473 5.313 20.566 1.00 0.00 O ATOM 407 CB LEU A 28 21.700 7.882 19.943 1.00 0.00 C ATOM 408 CG LEU A 28 20.920 8.915 19.105 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.775 10.098 18.652 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.214 8.303 17.898 1.00 0.00 C ATOM 0 H LEU A 28 22.552 5.857 18.250 1.00 0.00 H new ATOM 0 HA LEU A 28 23.749 8.312 19.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.083 6.986 20.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.785 8.283 20.953 1.00 0.00 H new ATOM 0 HG LEU A 28 20.160 9.289 19.791 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.164 10.786 18.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.171 10.617 19.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.601 9.737 18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.684 9.084 17.352 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.951 7.838 17.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.502 7.550 18.236 1.00 0.00 H new ATOM 422 N PRO A 29 24.457 7.064 21.596 1.00 0.00 N ATOM 423 CA PRO A 29 25.080 6.265 22.657 1.00 0.00 C ATOM 424 C PRO A 29 24.081 5.702 23.682 1.00 0.00 C ATOM 425 O PRO A 29 23.850 4.492 23.709 1.00 0.00 O ATOM 426 CB PRO A 29 26.147 7.180 23.280 1.00 0.00 C ATOM 427 CG PRO A 29 25.651 8.598 22.987 1.00 0.00 C ATOM 428 CD PRO A 29 24.921 8.445 21.655 1.00 0.00 C ATOM 0 HA PRO A 29 25.526 5.358 22.249 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.243 7.006 24.352 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.128 7.003 22.839 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.987 8.962 23.771 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.476 9.306 22.915 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.083 9.139 21.589 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.586 8.667 20.820 1.00 0.00 H new ATOM 436 N LEU A 30 23.489 6.567 24.518 1.00 0.00 N ATOM 437 CA LEU A 30 22.556 6.193 25.597 1.00 0.00 C ATOM 438 C LEU A 30 21.773 7.400 26.161 1.00 0.00 C ATOM 439 O LEU A 30 20.542 7.375 26.088 1.00 0.00 O ATOM 440 CB LEU A 30 23.317 5.438 26.719 1.00 0.00 C ATOM 441 CG LEU A 30 22.898 3.962 26.857 1.00 0.00 C ATOM 442 CD1 LEU A 30 23.907 3.212 27.729 1.00 0.00 C ATOM 443 CD2 LEU A 30 21.514 3.826 27.497 1.00 0.00 C ATOM 0 H LEU A 30 23.648 7.573 24.463 1.00 0.00 H new ATOM 0 HA LEU A 30 21.808 5.528 25.165 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.387 5.487 26.518 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.147 5.946 27.668 1.00 0.00 H new ATOM 0 HG LEU A 30 22.867 3.538 25.853 1.00 0.00 H new ATOM 0 HD11 LEU A 30 23.604 2.169 27.822 1.00 0.00 H new ATOM 0 HD12 LEU A 30 24.894 3.263 27.269 1.00 0.00 H new ATOM 0 HD13 LEU A 30 23.943 3.669 28.718 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.253 2.771 27.578 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.527 4.274 28.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.775 4.336 26.879 1.00 0.00 H new ATOM 455 N PRO A 31 22.416 8.486 26.655 1.00 0.00 N ATOM 456 CA PRO A 31 21.682 9.656 27.158 1.00 0.00 C ATOM 457 C PRO A 31 20.987 10.447 26.038 1.00 0.00 C ATOM 458 O PRO A 31 19.870 10.932 26.224 1.00 0.00 O ATOM 459 CB PRO A 31 22.719 10.505 27.907 1.00 0.00 C ATOM 460 CG PRO A 31 24.053 10.111 27.274 1.00 0.00 C ATOM 461 CD PRO A 31 23.846 8.639 26.918 1.00 0.00 C ATOM 0 HA PRO A 31 20.868 9.350 27.815 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.521 11.570 27.789 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.708 10.295 28.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.274 10.712 26.392 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.883 10.245 27.967 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.435 8.362 26.044 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.164 7.991 27.735 1.00 0.00 H new ATOM 469 N ILE A 32 21.619 10.538 24.859 1.00 0.00 N ATOM 470 CA ILE A 32 21.065 11.213 23.671 1.00 0.00 C ATOM 471 C ILE A 32 19.956 10.363 23.020 1.00 0.00 C ATOM 472 O ILE A 32 19.004 10.911 22.466 1.00 0.00 O ATOM 473 CB ILE A 32 22.185 11.576 22.657 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.371 12.298 23.343 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.619 12.460 21.525 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.559 12.632 22.423 1.00 0.00 C ATOM 0 H ILE A 32 22.544 10.139 24.699 1.00 0.00 H new ATOM 0 HA ILE A 32 20.610 12.149 23.996 1.00 0.00 H new ATOM 0 HB ILE A 32 22.558 10.642 22.237 1.00 0.00 H new ATOM 0 HG12 ILE A 32 23.004 13.224 23.786 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.731 11.674 24.161 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.415 12.706 20.823 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.829 11.921 21.003 1.00 0.00 H new ATOM 0 HG23 ILE A 32 21.213 13.378 21.949 1.00 0.00 H new ATOM 0 HD11 ILE A 32 25.335 13.135 22.999 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.961 11.712 21.999 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.223 13.286 21.618 1.00 0.00 H new ATOM 488 N LEU A 33 20.014 9.028 23.136 1.00 0.00 N ATOM 489 CA LEU A 33 19.002 8.114 22.581 1.00 0.00 C ATOM 490 C LEU A 33 17.584 8.401 23.108 1.00 0.00 C ATOM 491 O LEU A 33 16.617 8.184 22.383 1.00 0.00 O ATOM 492 CB LEU A 33 19.426 6.651 22.837 1.00 0.00 C ATOM 493 CG LEU A 33 18.488 5.582 22.236 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.416 5.633 20.709 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.964 4.188 22.642 1.00 0.00 C ATOM 0 H LEU A 33 20.771 8.547 23.622 1.00 0.00 H new ATOM 0 HA LEU A 33 18.952 8.284 21.506 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.427 6.503 22.432 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.491 6.491 23.913 1.00 0.00 H new ATOM 0 HG LEU A 33 17.493 5.795 22.628 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.740 4.856 20.350 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.046 6.609 20.395 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.410 5.470 20.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.298 3.438 22.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.977 4.027 22.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.957 4.103 23.729 1.00 0.00 H new ATOM 507 N ASN A 34 17.449 8.946 24.323 1.00 0.00 N ATOM 508 CA ASN A 34 16.158 9.331 24.907 1.00 0.00 C ATOM 509 C ASN A 34 15.349 10.286 24.007 1.00 0.00 C ATOM 510 O ASN A 34 14.158 10.052 23.782 1.00 0.00 O ATOM 511 CB ASN A 34 16.402 9.963 26.290 1.00 0.00 C ATOM 512 CG ASN A 34 16.935 8.985 27.326 1.00 0.00 C ATOM 513 OD1 ASN A 34 16.487 7.852 27.443 1.00 0.00 O ATOM 514 ND2 ASN A 34 17.896 9.397 28.124 1.00 0.00 N ATOM 0 H ASN A 34 18.242 9.134 24.936 1.00 0.00 H new ATOM 0 HA ASN A 34 15.555 8.428 25.005 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.109 10.786 26.184 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.468 10.390 26.654 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.267 8.772 28.840 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.270 10.341 28.027 1.00 0.00 H new ATOM 521 N GLN A 35 15.982 11.329 23.448 1.00 0.00 N ATOM 522 CA GLN A 35 15.296 12.291 22.570 1.00 0.00 C ATOM 523 C GLN A 35 14.845 11.639 21.253 1.00 0.00 C ATOM 524 O GLN A 35 13.764 11.939 20.741 1.00 0.00 O ATOM 525 CB GLN A 35 16.165 13.550 22.354 1.00 0.00 C ATOM 526 CG GLN A 35 17.171 13.481 21.185 1.00 0.00 C ATOM 527 CD GLN A 35 18.202 14.616 21.168 1.00 0.00 C ATOM 528 OE1 GLN A 35 18.364 15.395 22.100 1.00 0.00 O ATOM 529 NE2 GLN A 35 18.947 14.755 20.091 1.00 0.00 N ATOM 0 H GLN A 35 16.972 11.529 23.589 1.00 0.00 H new ATOM 0 HA GLN A 35 14.383 12.617 23.067 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.504 14.401 22.189 1.00 0.00 H new ATOM 0 HB3 GLN A 35 16.717 13.749 23.272 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.698 12.528 21.231 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.619 13.494 20.245 1.00 0.00 H new ATOM 0 HE21 GLN A 35 18.829 14.118 19.303 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.642 15.500 20.044 1.00 0.00 H new ATOM 538 N HIS A 36 15.646 10.701 20.731 1.00 0.00 N ATOM 539 CA HIS A 36 15.312 9.935 19.534 1.00 0.00 C ATOM 540 C HIS A 36 14.149 8.966 19.786 1.00 0.00 C ATOM 541 O HIS A 36 13.246 8.858 18.958 1.00 0.00 O ATOM 542 CB HIS A 36 16.553 9.176 19.042 1.00 0.00 C ATOM 543 CG HIS A 36 16.376 8.702 17.626 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.768 9.390 16.500 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.697 7.587 17.206 1.00 0.00 C ATOM 546 CE1 HIS A 36 16.312 8.734 15.425 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.657 7.613 15.798 1.00 0.00 N ATOM 0 H HIS A 36 16.550 10.454 21.134 1.00 0.00 H new ATOM 0 HA HIS A 36 14.988 10.633 18.763 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.427 9.824 19.104 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.742 8.322 19.693 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.313 10.252 16.487 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.269 6.825 17.841 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.449 9.056 14.403 1.00 0.00 H new ATOM 555 N GLN A 37 14.143 8.281 20.935 1.00 0.00 N ATOM 556 CA GLN A 37 13.093 7.332 21.310 1.00 0.00 C ATOM 557 C GLN A 37 11.718 8.014 21.384 1.00 0.00 C ATOM 558 O GLN A 37 10.756 7.523 20.793 1.00 0.00 O ATOM 559 CB GLN A 37 13.460 6.655 22.646 1.00 0.00 C ATOM 560 CG GLN A 37 12.771 5.293 22.840 1.00 0.00 C ATOM 561 CD GLN A 37 13.653 4.113 22.422 1.00 0.00 C ATOM 562 OE1 GLN A 37 14.026 3.268 23.229 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.038 3.999 21.165 1.00 0.00 N ATOM 0 H GLN A 37 14.877 8.372 21.638 1.00 0.00 H new ATOM 0 HA GLN A 37 13.022 6.566 20.538 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.540 6.519 22.693 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.185 7.315 23.469 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.493 5.179 23.888 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.848 5.273 22.261 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.740 4.690 20.476 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.633 3.220 20.883 1.00 0.00 H new ATOM 572 N GLU A 38 11.630 9.174 22.045 1.00 0.00 N ATOM 573 CA GLU A 38 10.389 9.961 22.093 1.00 0.00 C ATOM 574 C GLU A 38 9.986 10.513 20.715 1.00 0.00 C ATOM 575 O GLU A 38 8.800 10.481 20.375 1.00 0.00 O ATOM 576 CB GLU A 38 10.496 11.103 23.114 1.00 0.00 C ATOM 577 CG GLU A 38 10.642 10.588 24.556 1.00 0.00 C ATOM 578 CD GLU A 38 10.397 11.714 25.585 1.00 0.00 C ATOM 579 OE1 GLU A 38 11.125 12.738 25.579 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 9.468 11.578 26.423 1.00 0.00 O ATOM 0 H GLU A 38 12.407 9.592 22.557 1.00 0.00 H new ATOM 0 HA GLU A 38 9.603 9.277 22.411 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.353 11.729 22.866 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.610 11.734 23.044 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.935 9.776 24.727 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.641 10.175 24.697 1.00 0.00 H new ATOM 587 N LYS A 39 10.942 10.969 19.887 1.00 0.00 N ATOM 588 CA LYS A 39 10.660 11.453 18.525 1.00 0.00 C ATOM 589 C LYS A 39 10.102 10.355 17.610 1.00 0.00 C ATOM 590 O LYS A 39 9.055 10.574 16.998 1.00 0.00 O ATOM 591 CB LYS A 39 11.911 12.125 17.928 1.00 0.00 C ATOM 592 CG LYS A 39 11.774 12.546 16.453 1.00 0.00 C ATOM 593 CD LYS A 39 10.659 13.572 16.179 1.00 0.00 C ATOM 594 CE LYS A 39 10.302 13.657 14.689 1.00 0.00 C ATOM 595 NZ LYS A 39 11.420 14.161 13.844 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.929 11.012 20.142 1.00 0.00 H new ATOM 0 HA LYS A 39 9.872 12.202 18.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.152 13.006 18.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.753 11.439 18.019 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.724 12.963 16.118 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.587 11.657 15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.770 13.301 16.749 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.976 14.553 16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.006 12.669 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.439 14.311 14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.116 14.195 12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.688 15.116 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.238 13.525 13.934 1.00 0.00 H new ATOM 609 N CYS A 40 10.747 9.188 17.536 1.00 0.00 N ATOM 610 CA CYS A 40 10.265 8.046 16.755 1.00 0.00 C ATOM 611 C CYS A 40 8.865 7.586 17.212 1.00 0.00 C ATOM 612 O CYS A 40 7.985 7.384 16.372 1.00 0.00 O ATOM 613 CB CYS A 40 11.286 6.899 16.827 1.00 0.00 C ATOM 614 SG CYS A 40 12.608 7.119 15.606 1.00 0.00 S ATOM 0 H CYS A 40 11.626 9.008 18.021 1.00 0.00 H new ATOM 0 HA CYS A 40 10.163 8.360 15.716 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.716 6.854 17.828 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.782 5.948 16.653 1.00 0.00 H new ATOM 619 N ARG A 41 8.632 7.484 18.530 1.00 0.00 N ATOM 620 CA ARG A 41 7.308 7.177 19.104 1.00 0.00 C ATOM 621 C ARG A 41 6.247 8.197 18.690 1.00 0.00 C ATOM 622 O ARG A 41 5.185 7.801 18.207 1.00 0.00 O ATOM 623 CB ARG A 41 7.402 7.102 20.637 1.00 0.00 C ATOM 624 CG ARG A 41 8.026 5.802 21.166 1.00 0.00 C ATOM 625 CD ARG A 41 7.077 4.603 21.018 1.00 0.00 C ATOM 626 NE ARG A 41 7.516 3.459 21.842 1.00 0.00 N ATOM 627 CZ ARG A 41 7.322 3.295 23.141 1.00 0.00 C ATOM 628 NH1 ARG A 41 6.692 4.174 23.870 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 7.766 2.230 23.744 1.00 0.00 N ATOM 0 H ARG A 41 9.360 7.613 19.233 1.00 0.00 H new ATOM 0 HA ARG A 41 6.998 6.209 18.709 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.990 7.947 20.996 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.402 7.209 21.057 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.952 5.600 20.627 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.289 5.928 22.216 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.069 4.897 21.310 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.030 4.302 19.971 1.00 0.00 H new ATOM 0 HE ARG A 41 8.022 2.717 21.359 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.328 5.025 23.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.563 4.010 24.868 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.267 1.516 23.215 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.613 2.110 24.745 1.00 0.00 H new ATOM 643 N TRP A 42 6.528 9.494 18.839 1.00 0.00 N ATOM 644 CA TRP A 42 5.589 10.559 18.477 1.00 0.00 C ATOM 645 C TRP A 42 5.265 10.554 16.978 1.00 0.00 C ATOM 646 O TRP A 42 4.093 10.588 16.608 1.00 0.00 O ATOM 647 CB TRP A 42 6.132 11.926 18.913 1.00 0.00 C ATOM 648 CG TRP A 42 5.109 13.022 18.883 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.356 13.403 19.943 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.667 13.856 17.765 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.481 14.397 19.562 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.615 14.710 18.223 1.00 0.00 C ATOM 653 CE3 TRP A 42 5.034 13.982 16.402 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.954 15.615 17.386 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.381 14.894 15.553 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.338 15.706 16.036 1.00 0.00 C ATOM 0 H TRP A 42 7.413 9.836 19.214 1.00 0.00 H new ATOM 0 HA TRP A 42 4.657 10.367 19.008 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.531 11.842 19.924 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.963 12.200 18.264 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.430 12.989 20.938 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.816 14.847 20.191 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.829 13.367 16.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.159 16.236 17.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.683 14.972 14.519 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.835 16.395 15.374 1.00 0.00 H new ATOM 667 N LEU A 43 6.285 10.448 16.119 1.00 0.00 N ATOM 668 CA LEU A 43 6.128 10.451 14.663 1.00 0.00 C ATOM 669 C LEU A 43 5.357 9.221 14.154 1.00 0.00 C ATOM 670 O LEU A 43 4.465 9.357 13.318 1.00 0.00 O ATOM 671 CB LEU A 43 7.521 10.561 14.017 1.00 0.00 C ATOM 672 CG LEU A 43 7.493 10.951 12.527 1.00 0.00 C ATOM 673 CD1 LEU A 43 7.052 12.409 12.315 1.00 0.00 C ATOM 674 CD2 LEU A 43 8.895 10.792 11.928 1.00 0.00 C ATOM 0 H LEU A 43 7.255 10.357 16.421 1.00 0.00 H new ATOM 0 HA LEU A 43 5.525 11.312 14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.106 11.300 14.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.035 9.606 14.122 1.00 0.00 H new ATOM 0 HG LEU A 43 6.774 10.293 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.048 12.637 11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.050 12.548 12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.746 13.077 12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.874 11.068 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.593 11.439 12.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.217 9.755 12.025 1.00 0.00 H new ATOM 686 N ALA A 44 5.649 8.028 14.683 1.00 0.00 N ATOM 687 CA ALA A 44 4.901 6.809 14.366 1.00 0.00 C ATOM 688 C ALA A 44 3.435 6.877 14.846 1.00 0.00 C ATOM 689 O ALA A 44 2.533 6.397 14.154 1.00 0.00 O ATOM 690 CB ALA A 44 5.633 5.609 14.982 1.00 0.00 C ATOM 0 H ALA A 44 6.412 7.881 15.344 1.00 0.00 H new ATOM 0 HA ALA A 44 4.856 6.699 13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.087 4.694 14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.639 5.544 14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.694 5.736 16.063 1.00 0.00 H new ATOM 696 N SER A 45 3.184 7.496 16.007 1.00 0.00 N ATOM 697 CA SER A 45 1.837 7.693 16.559 1.00 0.00 C ATOM 698 C SER A 45 1.007 8.709 15.754 1.00 0.00 C ATOM 699 O SER A 45 -0.157 8.440 15.439 1.00 0.00 O ATOM 700 CB SER A 45 1.951 8.138 18.023 1.00 0.00 C ATOM 701 OG SER A 45 0.680 8.200 18.649 1.00 0.00 O ATOM 0 H SER A 45 3.922 7.880 16.598 1.00 0.00 H new ATOM 0 HA SER A 45 1.310 6.741 16.494 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.592 7.443 18.566 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.429 9.116 18.071 1.00 0.00 H new ATOM 0 HG SER A 45 0.788 8.485 19.580 1.00 0.00 H new ATOM 707 N SER A 46 1.589 9.855 15.375 1.00 0.00 N ATOM 708 CA SER A 46 0.901 10.903 14.603 1.00 0.00 C ATOM 709 C SER A 46 0.649 10.512 13.138 1.00 0.00 C ATOM 710 O SER A 46 -0.399 10.855 12.581 1.00 0.00 O ATOM 711 CB SER A 46 1.673 12.227 14.678 1.00 0.00 C ATOM 712 OG SER A 46 2.914 12.147 13.998 1.00 0.00 O ATOM 0 H SER A 46 2.558 10.084 15.596 1.00 0.00 H new ATOM 0 HA SER A 46 -0.079 11.029 15.064 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.071 13.025 14.244 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.846 12.489 15.722 1.00 0.00 H new ATOM 0 HG SER A 46 3.502 12.868 14.305 1.00 0.00 H new ATOM 718 N LYS A 47 1.554 9.735 12.525 1.00 0.00 N ATOM 719 CA LYS A 47 1.424 9.144 11.178 1.00 0.00 C ATOM 720 C LYS A 47 0.502 7.908 11.178 1.00 0.00 C ATOM 721 O LYS A 47 0.916 6.808 10.814 1.00 0.00 O ATOM 722 CB LYS A 47 2.840 8.868 10.624 1.00 0.00 C ATOM 723 CG LYS A 47 2.918 8.680 9.098 1.00 0.00 C ATOM 724 CD LYS A 47 2.672 9.989 8.329 1.00 0.00 C ATOM 725 CE LYS A 47 2.990 9.865 6.832 1.00 0.00 C ATOM 726 NZ LYS A 47 2.017 9.003 6.109 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.437 9.488 12.972 1.00 0.00 H new ATOM 0 HA LYS A 47 0.931 9.847 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.492 9.695 10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.234 7.973 11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.899 8.286 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.183 7.937 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.631 10.288 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.284 10.780 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.994 10.858 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.993 9.455 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.278 8.953 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.030 8.047 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.062 9.406 6.200 1.00 0.00 H new ATOM 740 N GLY A 48 -0.739 8.087 11.642 1.00 0.00 N ATOM 741 CA GLY A 48 -1.796 7.071 11.774 1.00 0.00 C ATOM 742 C GLY A 48 -2.070 6.266 10.493 1.00 0.00 C ATOM 743 O GLY A 48 -2.874 6.680 9.651 1.00 0.00 O ATOM 0 H GLY A 48 -1.056 9.004 11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.521 6.380 12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.718 7.563 12.083 1.00 0.00 H new ATOM 747 N LYS A 49 -1.372 5.135 10.333 1.00 0.00 N ATOM 748 CA LYS A 49 -1.397 4.261 9.146 1.00 0.00 C ATOM 749 C LYS A 49 -2.733 3.510 8.981 1.00 0.00 C ATOM 750 O LYS A 49 -3.531 3.415 9.917 1.00 0.00 O ATOM 751 CB LYS A 49 -0.198 3.288 9.255 1.00 0.00 C ATOM 752 CG LYS A 49 0.459 2.912 7.915 1.00 0.00 C ATOM 753 CD LYS A 49 1.270 4.069 7.304 1.00 0.00 C ATOM 754 CE LYS A 49 2.130 3.623 6.110 1.00 0.00 C ATOM 755 NZ LYS A 49 1.328 3.311 4.895 1.00 0.00 N1+ ATOM 0 H LYS A 49 -0.745 4.785 11.058 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.309 4.872 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.558 3.737 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.534 2.375 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.114 2.054 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.313 2.604 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.588 4.855 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.914 4.500 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.847 4.409 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.706 2.742 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.963 3.017 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.662 2.541 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.798 4.157 4.602 1.00 0.00 H new ATOM 769 N GLN A 50 -2.939 2.920 7.799 1.00 0.00 N ATOM 770 CA GLN A 50 -4.145 2.159 7.415 1.00 0.00 C ATOM 771 C GLN A 50 -3.848 0.713 6.956 1.00 0.00 C ATOM 772 O GLN A 50 -4.705 0.054 6.363 1.00 0.00 O ATOM 773 CB GLN A 50 -4.970 2.989 6.405 1.00 0.00 C ATOM 774 CG GLN A 50 -4.316 3.257 5.033 1.00 0.00 C ATOM 775 CD GLN A 50 -4.476 2.109 4.031 1.00 0.00 C ATOM 776 OE1 GLN A 50 -5.573 1.754 3.618 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.397 1.503 3.575 1.00 0.00 N ATOM 0 H GLN A 50 -2.247 2.958 7.051 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.757 2.008 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.917 2.477 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.204 3.949 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.749 4.161 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.254 3.452 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.475 1.785 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.485 0.752 2.890 1.00 0.00 H new ATOM 786 N VAL A 51 -2.632 0.212 7.227 1.00 0.00 N ATOM 787 CA VAL A 51 -2.207 -1.177 6.952 1.00 0.00 C ATOM 788 C VAL A 51 -3.087 -2.226 7.651 1.00 0.00 C ATOM 789 O VAL A 51 -3.753 -1.945 8.653 1.00 0.00 O ATOM 790 CB VAL A 51 -0.727 -1.414 7.335 1.00 0.00 C ATOM 791 CG1 VAL A 51 0.209 -0.656 6.388 1.00 0.00 C ATOM 792 CG2 VAL A 51 -0.398 -1.030 8.786 1.00 0.00 C ATOM 0 H VAL A 51 -1.896 0.773 7.655 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.324 -1.303 5.876 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.569 -2.488 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.244 -0.838 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.051 -1.002 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.002 0.412 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.656 -1.223 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.608 0.029 8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.009 -1.623 9.467 1.00 0.00 H new ATOM 802 N ARG A 52 -3.055 -3.464 7.138 1.00 0.00 N ATOM 803 CA ARG A 52 -3.732 -4.637 7.723 1.00 0.00 C ATOM 804 C ARG A 52 -3.275 -4.872 9.170 1.00 0.00 C ATOM 805 O ARG A 52 -2.080 -4.796 9.470 1.00 0.00 O ATOM 806 CB ARG A 52 -3.479 -5.883 6.851 1.00 0.00 C ATOM 807 CG ARG A 52 -4.030 -5.725 5.421 1.00 0.00 C ATOM 808 CD ARG A 52 -3.765 -6.950 4.537 1.00 0.00 C ATOM 809 NE ARG A 52 -4.604 -8.108 4.910 1.00 0.00 N ATOM 810 CZ ARG A 52 -4.774 -9.213 4.203 1.00 0.00 C ATOM 811 NH1 ARG A 52 -4.163 -9.414 3.068 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 -5.575 -10.149 4.626 1.00 0.00 N ATOM 0 H ARG A 52 -2.545 -3.686 6.283 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.804 -4.443 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.408 -6.078 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.941 -6.751 7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.104 -5.544 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.580 -4.846 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.953 -6.690 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.714 -7.228 4.612 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.100 -8.049 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.529 -8.706 2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.319 -10.279 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.075 -10.032 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.702 -10.999 4.076 1.00 0.00 H new ATOM 826 N ASN A 53 -4.224 -5.172 10.057 1.00 0.00 N ATOM 827 CA ASN A 53 -4.011 -5.323 11.500 1.00 0.00 C ATOM 828 C ASN A 53 -4.884 -6.468 12.044 1.00 0.00 C ATOM 829 O ASN A 53 -6.068 -6.277 12.336 1.00 0.00 O ATOM 830 CB ASN A 53 -4.291 -3.969 12.185 1.00 0.00 C ATOM 831 CG ASN A 53 -4.017 -4.013 13.680 1.00 0.00 C ATOM 832 OD1 ASN A 53 -2.904 -3.791 14.139 1.00 0.00 O ATOM 833 ND2 ASN A 53 -5.009 -4.310 14.489 1.00 0.00 N ATOM 0 H ASN A 53 -5.195 -5.322 9.784 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.978 -5.596 11.716 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.672 -3.197 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.330 -3.687 12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.850 -4.355 15.496 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.938 -4.496 14.110 1.00 0.00 H new ATOM 840 N PHE A 54 -4.305 -7.668 12.140 1.00 0.00 N ATOM 841 CA PHE A 54 -4.985 -8.890 12.584 1.00 0.00 C ATOM 842 C PHE A 54 -4.007 -9.834 13.313 1.00 0.00 C ATOM 843 O PHE A 54 -2.821 -9.892 12.969 1.00 0.00 O ATOM 844 CB PHE A 54 -5.613 -9.572 11.357 1.00 0.00 C ATOM 845 CG PHE A 54 -6.722 -10.551 11.689 1.00 0.00 C ATOM 846 CD1 PHE A 54 -8.030 -10.075 11.900 1.00 0.00 C ATOM 847 CD2 PHE A 54 -6.460 -11.930 11.778 1.00 0.00 C ATOM 848 CE1 PHE A 54 -9.071 -10.972 12.195 1.00 0.00 C ATOM 849 CE2 PHE A 54 -7.500 -12.829 12.076 1.00 0.00 C ATOM 850 CZ PHE A 54 -8.805 -12.350 12.283 1.00 0.00 C ATOM 0 H PHE A 54 -3.324 -7.821 11.905 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.769 -8.637 13.298 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.008 -8.805 10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.832 -10.098 10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.234 -9.016 11.835 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.458 -12.300 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.074 -10.604 12.354 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.296 -13.887 12.146 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.604 -13.041 12.510 1.00 0.00 H new ATOM 860 N SER A 55 -4.500 -10.551 14.330 1.00 0.00 N ATOM 861 CA SER A 55 -3.720 -11.447 15.212 1.00 0.00 C ATOM 862 C SER A 55 -3.051 -12.620 14.477 1.00 0.00 C ATOM 863 O SER A 55 -3.742 -13.335 13.710 1.00 0.00 O ATOM 864 CB SER A 55 -4.610 -11.984 16.335 1.00 0.00 C ATOM 865 OG SER A 55 -5.175 -10.900 17.058 1.00 0.00 O ATOM 866 OXT SER A 55 -1.841 -12.843 14.698 1.00 0.00 O1- ATOM 0 H SER A 55 -5.490 -10.527 14.576 1.00 0.00 H new ATOM 0 HA SER A 55 -2.913 -10.838 15.620 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.401 -12.608 15.918 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.026 -12.615 17.005 1.00 0.00 H new ATOM 0 HG SER A 55 -5.746 -11.247 17.775 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.292 6.578 14.754 1.00 0.00 ZN