USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -125:sc= 1.14 (180deg=-0.00789) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -82:sc= 0.614! USER MOD Single : A 25 SER OG : rot -149:sc= 0.0342 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.448 7.943 -4.141 1.00 0.00 N ATOM 2 CA ASP A 1 14.878 9.320 -4.253 1.00 0.00 C ATOM 3 C ASP A 1 13.359 9.250 -4.444 1.00 0.00 C ATOM 4 O ASP A 1 12.873 8.947 -5.519 1.00 0.00 O ATOM 5 CB ASP A 1 15.554 9.933 -5.486 1.00 0.00 C ATOM 6 CG ASP A 1 16.105 11.316 -5.135 1.00 0.00 C ATOM 7 OD1 ASP A 1 15.354 12.273 -5.228 1.00 0.00 O ATOM 8 OD2 ASP A 1 17.272 11.395 -4.780 1.00 0.00 O ATOM 0 H1 ASP A 1 16.478 8.003 -4.012 1.00 0.00 H new ATOM 0 H2 ASP A 1 15.024 7.457 -3.325 1.00 0.00 H new ATOM 0 H3 ASP A 1 15.239 7.409 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 1 15.055 9.915 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 1 16.361 9.286 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.838 10.013 -6.304 1.00 0.00 H new ATOM 15 N GLY A 2 12.606 9.523 -3.404 1.00 0.00 N ATOM 16 CA GLY A 2 11.116 9.468 -3.513 1.00 0.00 C ATOM 17 C GLY A 2 10.665 8.008 -3.590 1.00 0.00 C ATOM 18 O GLY A 2 10.594 7.431 -4.659 1.00 0.00 O ATOM 0 H GLY A 2 12.962 9.782 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.659 9.956 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.785 10.009 -4.399 1.00 0.00 H new ATOM 22 N GLU A 3 10.366 7.404 -2.466 1.00 0.00 N ATOM 23 CA GLU A 3 9.928 5.974 -2.473 1.00 0.00 C ATOM 24 C GLU A 3 8.462 5.853 -2.039 1.00 0.00 C ATOM 25 O GLU A 3 8.160 5.698 -0.870 1.00 0.00 O ATOM 26 CB GLU A 3 10.852 5.270 -1.474 1.00 0.00 C ATOM 27 CG GLU A 3 11.754 4.285 -2.217 1.00 0.00 C ATOM 28 CD GLU A 3 12.908 3.859 -1.309 1.00 0.00 C ATOM 29 OE1 GLU A 3 13.932 4.524 -1.333 1.00 0.00 O ATOM 30 OE2 GLU A 3 12.749 2.874 -0.602 1.00 0.00 O ATOM 0 H GLU A 3 10.406 7.839 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 3 9.991 5.532 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.458 6.005 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.261 4.743 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.179 3.412 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.144 4.747 -3.124 1.00 0.00 H new ATOM 37 N CYS A 4 7.550 5.912 -2.978 1.00 0.00 N ATOM 38 CA CYS A 4 6.101 5.787 -2.630 1.00 0.00 C ATOM 39 C CYS A 4 5.379 4.942 -3.689 1.00 0.00 C ATOM 40 O CYS A 4 5.782 4.890 -4.837 1.00 0.00 O ATOM 41 CB CYS A 4 5.569 7.230 -2.584 1.00 0.00 C ATOM 42 SG CYS A 4 4.284 7.494 -3.836 1.00 0.00 S ATOM 0 H CYS A 4 7.747 6.041 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 4 5.938 5.284 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.165 7.440 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.390 7.929 -2.748 1.00 0.00 H new ATOM 47 N GLY A 5 4.323 4.274 -3.305 1.00 0.00 N ATOM 48 CA GLY A 5 3.572 3.419 -4.269 1.00 0.00 C ATOM 49 C GLY A 5 2.529 4.258 -5.013 1.00 0.00 C ATOM 50 O GLY A 5 2.852 5.239 -5.658 1.00 0.00 O ATOM 0 H GLY A 5 3.946 4.285 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.262 2.967 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.082 2.603 -3.738 1.00 0.00 H new ATOM 54 N GLY A 6 1.279 3.873 -4.929 1.00 0.00 N ATOM 55 CA GLY A 6 0.199 4.636 -5.624 1.00 0.00 C ATOM 56 C GLY A 6 -1.117 4.468 -4.853 1.00 0.00 C ATOM 57 O GLY A 6 -1.123 4.379 -3.640 1.00 0.00 O ATOM 0 H GLY A 6 0.960 3.058 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.465 5.691 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.083 4.276 -6.646 1.00 0.00 H new ATOM 61 N PHE A 7 -2.230 4.421 -5.543 1.00 0.00 N ATOM 62 CA PHE A 7 -3.548 4.255 -4.845 1.00 0.00 C ATOM 63 C PHE A 7 -3.908 2.767 -4.704 1.00 0.00 C ATOM 64 O PHE A 7 -4.620 2.382 -3.797 1.00 0.00 O ATOM 65 CB PHE A 7 -4.572 4.976 -5.730 1.00 0.00 C ATOM 66 CG PHE A 7 -5.212 6.101 -4.949 1.00 0.00 C ATOM 67 CD1 PHE A 7 -4.524 7.307 -4.768 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.493 5.939 -4.405 1.00 0.00 C ATOM 69 CE1 PHE A 7 -5.114 8.349 -4.044 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.084 6.981 -3.681 1.00 0.00 C ATOM 71 CZ PHE A 7 -6.394 8.186 -3.500 1.00 0.00 C ATOM 0 H PHE A 7 -2.285 4.490 -6.559 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.523 4.666 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.084 5.370 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.334 4.274 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.537 7.433 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.025 5.009 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.582 9.279 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.072 6.856 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.849 8.990 -2.941 1.00 0.00 H new ATOM 81 N TRP A 8 -3.425 1.935 -5.593 1.00 0.00 N ATOM 82 CA TRP A 8 -3.737 0.475 -5.514 1.00 0.00 C ATOM 83 C TRP A 8 -2.561 -0.335 -6.079 1.00 0.00 C ATOM 84 O TRP A 8 -2.624 -0.871 -7.171 1.00 0.00 O ATOM 85 CB TRP A 8 -5.004 0.301 -6.363 1.00 0.00 C ATOM 86 CG TRP A 8 -5.392 -1.143 -6.426 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.683 -1.925 -5.358 1.00 0.00 C ATOM 88 CD2 TRP A 8 -5.539 -1.988 -7.603 1.00 0.00 C ATOM 89 NE1 TRP A 8 -5.996 -3.194 -5.809 1.00 0.00 N ATOM 90 CE2 TRP A 8 -5.921 -3.284 -7.185 1.00 0.00 C ATOM 91 CE3 TRP A 8 -5.376 -1.756 -8.980 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -6.137 -4.313 -8.102 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -5.592 -2.788 -9.906 1.00 0.00 C ATOM 94 CH2 TRP A 8 -5.971 -4.064 -9.467 1.00 0.00 C ATOM 0 H TRP A 8 -2.826 2.206 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.893 0.123 -4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.819 0.885 -5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.831 0.682 -7.369 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.672 -1.609 -4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.252 -3.970 -5.199 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.082 -0.777 -9.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.430 -5.294 -7.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.466 -2.598 -10.962 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.135 -4.855 -10.184 1.00 0.00 H new ATOM 105 N TRP A 9 -1.483 -0.417 -5.338 1.00 0.00 N ATOM 106 CA TRP A 9 -0.286 -1.181 -5.816 1.00 0.00 C ATOM 107 C TRP A 9 -0.204 -2.517 -5.072 1.00 0.00 C ATOM 108 O TRP A 9 -0.777 -2.675 -4.019 1.00 0.00 O ATOM 109 CB TRP A 9 0.915 -0.287 -5.479 1.00 0.00 C ATOM 110 CG TRP A 9 1.000 0.853 -6.454 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.056 1.446 -7.064 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.185 1.550 -6.933 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.408 2.458 -7.880 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.779 2.563 -7.833 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.559 1.406 -6.676 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.701 3.403 -8.453 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.490 2.251 -7.301 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.061 3.249 -8.187 1.00 0.00 C ATOM 0 H TRP A 9 -1.379 0.014 -4.419 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.325 -1.410 -6.881 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.818 0.099 -4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.834 -0.872 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.092 1.171 -6.933 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.192 3.055 -8.449 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.901 0.641 -5.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.364 4.169 -9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.544 2.131 -7.098 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.782 3.897 -8.662 1.00 0.00 H new ATOM 129 N LYS A 10 0.491 -3.488 -5.611 1.00 0.00 N ATOM 130 CA LYS A 10 0.575 -4.813 -4.915 1.00 0.00 C ATOM 131 C LYS A 10 1.774 -4.869 -3.971 1.00 0.00 C ATOM 132 O LYS A 10 2.881 -4.518 -4.336 1.00 0.00 O ATOM 133 CB LYS A 10 0.739 -5.854 -6.023 1.00 0.00 C ATOM 134 CG LYS A 10 -0.616 -6.501 -6.329 1.00 0.00 C ATOM 135 CD LYS A 10 -1.501 -5.518 -7.099 1.00 0.00 C ATOM 136 CE LYS A 10 -2.841 -6.185 -7.431 1.00 0.00 C ATOM 137 NZ LYS A 10 -3.204 -5.676 -8.784 1.00 0.00 N ATOM 0 H LYS A 10 0.999 -3.424 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.313 -4.990 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.139 -5.383 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.456 -6.616 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.471 -7.409 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.106 -6.795 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.668 -4.620 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.002 -5.205 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.752 -7.271 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.603 -5.927 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.151 -5.247 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.510 -4.962 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.205 -6.464 -9.463 1.00 0.00 H new ATOM 151 N CYS A 11 1.564 -5.331 -2.765 1.00 0.00 N ATOM 152 CA CYS A 11 2.691 -5.440 -1.795 1.00 0.00 C ATOM 153 C CYS A 11 2.444 -6.590 -0.806 1.00 0.00 C ATOM 154 O CYS A 11 1.368 -7.158 -0.757 1.00 0.00 O ATOM 155 CB CYS A 11 2.747 -4.094 -1.066 1.00 0.00 C ATOM 156 SG CYS A 11 1.287 -3.876 -0.022 1.00 0.00 S ATOM 0 H CYS A 11 0.658 -5.638 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 11 3.634 -5.658 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.649 -4.042 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.806 -3.283 -1.792 1.00 0.00 H new ATOM 161 N GLY A 12 3.434 -6.932 -0.018 1.00 0.00 N ATOM 162 CA GLY A 12 3.265 -8.040 0.968 1.00 0.00 C ATOM 163 C GLY A 12 2.757 -7.474 2.295 1.00 0.00 C ATOM 164 O GLY A 12 1.679 -6.913 2.368 1.00 0.00 O ATOM 0 H GLY A 12 4.353 -6.489 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.562 -8.778 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.215 -8.553 1.120 1.00 0.00 H new ATOM 168 N ARG A 13 3.528 -7.614 3.343 1.00 0.00 N ATOM 169 CA ARG A 13 3.101 -7.083 4.676 1.00 0.00 C ATOM 170 C ARG A 13 3.601 -5.639 4.857 1.00 0.00 C ATOM 171 O ARG A 13 4.061 -5.261 5.920 1.00 0.00 O ATOM 172 CB ARG A 13 3.759 -8.019 5.698 1.00 0.00 C ATOM 173 CG ARG A 13 2.723 -8.467 6.731 1.00 0.00 C ATOM 174 CD ARG A 13 2.449 -7.325 7.714 1.00 0.00 C ATOM 175 NE ARG A 13 1.151 -7.673 8.356 1.00 0.00 N ATOM 176 CZ ARG A 13 1.135 -8.227 9.538 1.00 0.00 C ATOM 177 NH1 ARG A 13 1.211 -7.478 10.609 1.00 0.00 N ATOM 178 NH2 ARG A 13 1.048 -9.527 9.649 1.00 0.00 N ATOM 0 H ARG A 13 4.438 -8.074 3.334 1.00 0.00 H new ATOM 0 HA ARG A 13 2.017 -7.055 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.180 -8.887 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.584 -7.508 6.194 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.799 -8.759 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.086 -9.343 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.245 -7.241 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.390 -6.366 7.199 1.00 0.00 H new ATOM 0 HE ARG A 13 0.274 -7.478 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.282 -6.465 10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.199 -7.908 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.993 -10.108 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.035 -9.960 10.572 1.00 0.00 H new ATOM 192 N GLY A 14 3.517 -4.831 3.828 1.00 0.00 N ATOM 193 CA GLY A 14 3.990 -3.420 3.936 1.00 0.00 C ATOM 194 C GLY A 14 5.496 -3.355 3.663 1.00 0.00 C ATOM 195 O GLY A 14 6.199 -2.542 4.233 1.00 0.00 O ATOM 0 H GLY A 14 3.140 -5.091 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.455 -2.792 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.774 -3.030 4.931 1.00 0.00 H new ATOM 199 N LYS A 15 6.001 -4.203 2.793 1.00 0.00 N ATOM 200 CA LYS A 15 7.467 -4.181 2.485 1.00 0.00 C ATOM 201 C LYS A 15 7.834 -2.908 1.706 1.00 0.00 C ATOM 202 O LYS A 15 8.695 -2.160 2.130 1.00 0.00 O ATOM 203 CB LYS A 15 7.734 -5.438 1.649 1.00 0.00 C ATOM 204 CG LYS A 15 9.013 -6.122 2.144 1.00 0.00 C ATOM 205 CD LYS A 15 8.783 -7.634 2.231 1.00 0.00 C ATOM 206 CE LYS A 15 8.704 -8.226 0.820 1.00 0.00 C ATOM 207 NZ LYS A 15 7.333 -8.802 0.712 1.00 0.00 N ATOM 0 H LYS A 15 5.462 -4.905 2.286 1.00 0.00 H new ATOM 0 HA LYS A 15 8.072 -4.174 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.890 -6.124 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.835 -5.173 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.839 -5.907 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.293 -5.729 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.594 -8.104 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.861 -7.841 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.870 -7.460 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.465 -8.992 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.236 -9.299 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.175 -9.472 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.630 -8.037 0.765 1.00 0.00 H new ATOM 221 N PRO A 16 7.163 -2.690 0.596 1.00 0.00 N ATOM 222 CA PRO A 16 7.423 -1.483 -0.227 1.00 0.00 C ATOM 223 C PRO A 16 6.822 -0.249 0.459 1.00 0.00 C ATOM 224 O PRO A 16 5.709 -0.300 0.952 1.00 0.00 O ATOM 225 CB PRO A 16 6.710 -1.780 -1.542 1.00 0.00 C ATOM 226 CG PRO A 16 5.637 -2.759 -1.191 1.00 0.00 C ATOM 227 CD PRO A 16 6.113 -3.534 0.012 1.00 0.00 C ATOM 0 HA PRO A 16 8.483 -1.274 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.289 -0.873 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.398 -2.196 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.703 -2.243 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.440 -3.430 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.302 -3.707 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.501 -4.512 -0.273 1.00 0.00 H new ATOM 235 N PRO A 17 7.579 0.820 0.482 1.00 0.00 N ATOM 236 CA PRO A 17 7.111 2.070 1.131 1.00 0.00 C ATOM 237 C PRO A 17 6.021 2.750 0.292 1.00 0.00 C ATOM 238 O PRO A 17 6.292 3.328 -0.744 1.00 0.00 O ATOM 239 CB PRO A 17 8.366 2.937 1.193 1.00 0.00 C ATOM 240 CG PRO A 17 9.243 2.430 0.094 1.00 0.00 C ATOM 241 CD PRO A 17 8.928 0.968 -0.086 1.00 0.00 C ATOM 0 HA PRO A 17 6.667 1.895 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.125 3.990 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.858 2.850 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.060 2.980 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.294 2.569 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.952 0.681 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.650 0.338 0.432 1.00 0.00 H new ATOM 249 N CYS A 18 4.789 2.698 0.743 1.00 0.00 N ATOM 250 CA CYS A 18 3.683 3.359 -0.017 1.00 0.00 C ATOM 251 C CYS A 18 3.768 4.878 0.181 1.00 0.00 C ATOM 252 O CYS A 18 4.578 5.364 0.952 1.00 0.00 O ATOM 253 CB CYS A 18 2.378 2.812 0.583 1.00 0.00 C ATOM 254 SG CYS A 18 1.362 2.096 -0.731 1.00 0.00 S ATOM 0 H CYS A 18 4.504 2.228 1.602 1.00 0.00 H new ATOM 0 HA CYS A 18 3.740 3.159 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.601 2.057 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.833 3.612 1.084 1.00 0.00 H new ATOM 259 N CYS A 19 2.939 5.637 -0.491 1.00 0.00 N ATOM 260 CA CYS A 19 2.987 7.122 -0.307 1.00 0.00 C ATOM 261 C CYS A 19 2.234 7.485 0.977 1.00 0.00 C ATOM 262 O CYS A 19 1.286 6.821 1.350 1.00 0.00 O ATOM 263 CB CYS A 19 2.303 7.745 -1.536 1.00 0.00 C ATOM 264 SG CYS A 19 2.600 6.733 -3.014 1.00 0.00 S ATOM 0 H CYS A 19 2.239 5.299 -1.151 1.00 0.00 H new ATOM 0 HA CYS A 19 4.009 7.491 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.231 7.832 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.682 8.754 -1.697 1.00 0.00 H new ATOM 269 N LYS A 20 2.664 8.516 1.669 1.00 0.00 N ATOM 270 CA LYS A 20 1.989 8.911 2.947 1.00 0.00 C ATOM 271 C LYS A 20 0.460 8.895 2.798 1.00 0.00 C ATOM 272 O LYS A 20 -0.096 9.487 1.891 1.00 0.00 O ATOM 273 CB LYS A 20 2.498 10.326 3.264 1.00 0.00 C ATOM 274 CG LYS A 20 1.997 11.323 2.212 1.00 0.00 C ATOM 275 CD LYS A 20 2.750 12.647 2.364 1.00 0.00 C ATOM 276 CE LYS A 20 2.983 13.271 0.983 1.00 0.00 C ATOM 277 NZ LYS A 20 2.060 14.441 0.925 1.00 0.00 N ATOM 0 H LYS A 20 3.455 9.102 1.402 1.00 0.00 H new ATOM 0 HA LYS A 20 2.220 8.212 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.156 10.629 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.588 10.330 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.149 10.919 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.926 11.486 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.179 13.331 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.704 12.478 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.021 13.581 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.767 12.559 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.163 14.919 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.079 14.115 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.294 15.106 1.690 1.00 0.00 H new ATOM 291 N GLY A 21 -0.218 8.205 3.684 1.00 0.00 N ATOM 292 CA GLY A 21 -1.707 8.131 3.608 1.00 0.00 C ATOM 293 C GLY A 21 -2.148 6.743 3.116 1.00 0.00 C ATOM 294 O GLY A 21 -3.245 6.302 3.402 1.00 0.00 O ATOM 0 H GLY A 21 0.200 7.689 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.138 8.331 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.082 8.900 2.933 1.00 0.00 H new ATOM 298 N TYR A 22 -1.311 6.052 2.373 1.00 0.00 N ATOM 299 CA TYR A 22 -1.700 4.699 1.863 1.00 0.00 C ATOM 300 C TYR A 22 -1.086 3.604 2.745 1.00 0.00 C ATOM 301 O TYR A 22 0.070 3.668 3.117 1.00 0.00 O ATOM 302 CB TYR A 22 -1.132 4.609 0.437 1.00 0.00 C ATOM 303 CG TYR A 22 -1.512 5.832 -0.381 1.00 0.00 C ATOM 304 CD1 TYR A 22 -2.692 6.539 -0.109 1.00 0.00 C ATOM 305 CD2 TYR A 22 -0.674 6.251 -1.419 1.00 0.00 C ATOM 306 CE1 TYR A 22 -3.028 7.662 -0.876 1.00 0.00 C ATOM 307 CE2 TYR A 22 -1.011 7.373 -2.186 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.187 8.079 -1.915 1.00 0.00 C ATOM 309 OH TYR A 22 -2.518 9.185 -2.670 1.00 0.00 O ATOM 0 H TYR A 22 -0.380 6.367 2.100 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.781 4.561 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.047 4.519 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.508 3.710 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.342 6.218 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.235 5.708 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.937 8.207 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.362 7.693 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.162 8.927 -3.363 1.00 0.00 H new ATOM 319 N ALA A 23 -1.854 2.592 3.071 1.00 0.00 N ATOM 320 CA ALA A 23 -1.327 1.478 3.920 1.00 0.00 C ATOM 321 C ALA A 23 -1.379 0.159 3.137 1.00 0.00 C ATOM 322 O ALA A 23 -2.232 -0.032 2.288 1.00 0.00 O ATOM 323 CB ALA A 23 -2.258 1.424 5.132 1.00 0.00 C ATOM 0 H ALA A 23 -2.827 2.490 2.784 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.290 1.635 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.935 0.629 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.226 2.378 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.277 1.227 4.799 1.00 0.00 H new ATOM 329 N CYS A 24 -0.474 -0.749 3.411 1.00 0.00 N ATOM 330 CA CYS A 24 -0.471 -2.054 2.675 1.00 0.00 C ATOM 331 C CYS A 24 -1.349 -3.082 3.393 1.00 0.00 C ATOM 332 O CYS A 24 -1.648 -2.950 4.565 1.00 0.00 O ATOM 333 CB CYS A 24 0.989 -2.517 2.666 1.00 0.00 C ATOM 334 SG CYS A 24 1.711 -2.210 1.039 1.00 0.00 S ATOM 0 H CYS A 24 0.261 -0.644 4.110 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.870 -1.945 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.554 -1.986 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.046 -3.579 2.906 1.00 0.00 H new ATOM 339 N SER A 25 -1.765 -4.106 2.690 1.00 0.00 N ATOM 340 CA SER A 25 -2.626 -5.152 3.314 1.00 0.00 C ATOM 341 C SER A 25 -2.102 -6.550 2.976 1.00 0.00 C ATOM 342 O SER A 25 -2.174 -6.988 1.846 1.00 0.00 O ATOM 343 CB SER A 25 -4.015 -4.938 2.707 1.00 0.00 C ATOM 344 OG SER A 25 -4.705 -3.939 3.448 1.00 0.00 O ATOM 0 H SER A 25 -1.543 -4.261 1.707 1.00 0.00 H new ATOM 0 HA SER A 25 -2.639 -5.076 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.925 -4.636 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.578 -5.871 2.721 1.00 0.00 H new ATOM 0 HG SER A 25 -5.668 -4.122 3.426 1.00 0.00 H new ATOM 350 N LYS A 26 -1.580 -7.253 3.950 1.00 0.00 N ATOM 351 CA LYS A 26 -1.058 -8.632 3.692 1.00 0.00 C ATOM 352 C LYS A 26 -2.221 -9.586 3.381 1.00 0.00 C ATOM 353 O LYS A 26 -2.105 -10.464 2.547 1.00 0.00 O ATOM 354 CB LYS A 26 -0.352 -9.038 4.990 1.00 0.00 C ATOM 355 CG LYS A 26 0.276 -10.429 4.832 1.00 0.00 C ATOM 356 CD LYS A 26 1.345 -10.394 3.736 1.00 0.00 C ATOM 357 CE LYS A 26 1.982 -11.779 3.598 1.00 0.00 C ATOM 358 NZ LYS A 26 2.497 -11.830 2.200 1.00 0.00 N ATOM 0 H LYS A 26 -1.492 -6.932 4.914 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.383 -8.669 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.418 -8.308 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.064 -9.043 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.720 -10.747 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.493 -11.159 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.899 -10.091 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.107 -9.654 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.787 -11.917 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.253 -12.569 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.948 -12.751 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.708 -11.703 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.194 -11.071 2.059 1.00 0.00 H new ATOM 372 N THR A 27 -3.339 -9.407 4.039 1.00 0.00 N ATOM 373 CA THR A 27 -4.526 -10.286 3.784 1.00 0.00 C ATOM 374 C THR A 27 -5.053 -10.053 2.363 1.00 0.00 C ATOM 375 O THR A 27 -5.475 -10.973 1.688 1.00 0.00 O ATOM 376 CB THR A 27 -5.579 -9.858 4.817 1.00 0.00 C ATOM 377 OG1 THR A 27 -5.001 -9.860 6.116 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.763 -10.829 4.787 1.00 0.00 C ATOM 0 H THR A 27 -3.483 -8.686 4.746 1.00 0.00 H new ATOM 0 HA THR A 27 -4.279 -11.344 3.871 1.00 0.00 H new ATOM 0 HB THR A 27 -5.929 -8.855 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.673 -9.585 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.506 -10.520 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.212 -10.825 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.415 -11.834 5.024 1.00 0.00 H new ATOM 386 N TRP A 28 -5.027 -8.826 1.913 1.00 0.00 N ATOM 387 CA TRP A 28 -5.524 -8.508 0.539 1.00 0.00 C ATOM 388 C TRP A 28 -4.400 -8.714 -0.485 1.00 0.00 C ATOM 389 O TRP A 28 -4.586 -9.360 -1.499 1.00 0.00 O ATOM 390 CB TRP A 28 -5.951 -7.033 0.598 1.00 0.00 C ATOM 391 CG TRP A 28 -7.067 -6.850 1.591 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.655 -7.839 2.310 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.738 -5.615 1.984 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.630 -7.289 3.118 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.723 -5.924 2.952 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.587 -4.270 1.600 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.530 -4.938 3.517 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -8.400 -3.273 2.168 1.00 0.00 C ATOM 399 CH2 TRP A 28 -9.368 -3.607 3.125 1.00 0.00 C ATOM 0 H TRP A 28 -4.681 -8.025 2.441 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.350 -9.151 0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.100 -6.412 0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.275 -6.702 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.401 -8.888 2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.211 -7.828 3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.843 -4.002 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.275 -5.201 4.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.278 -2.244 1.865 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.988 -2.836 3.559 1.00 0.00 H new ATOM 410 N GLY A 29 -3.232 -8.183 -0.215 1.00 0.00 N ATOM 411 CA GLY A 29 -2.081 -8.359 -1.150 1.00 0.00 C ATOM 412 C GLY A 29 -1.756 -7.048 -1.884 1.00 0.00 C ATOM 413 O GLY A 29 -1.055 -7.060 -2.879 1.00 0.00 O ATOM 0 H GLY A 29 -3.027 -7.632 0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.205 -8.694 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.315 -9.137 -1.876 1.00 0.00 H new ATOM 417 N TRP A 30 -2.238 -5.917 -1.415 1.00 0.00 N ATOM 418 CA TRP A 30 -1.918 -4.633 -2.117 1.00 0.00 C ATOM 419 C TRP A 30 -1.908 -3.445 -1.139 1.00 0.00 C ATOM 420 O TRP A 30 -2.148 -3.596 0.041 1.00 0.00 O ATOM 421 CB TRP A 30 -2.999 -4.480 -3.207 1.00 0.00 C ATOM 422 CG TRP A 30 -4.310 -4.065 -2.615 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.581 -2.847 -2.096 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.537 -4.842 -2.495 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.887 -2.829 -1.653 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.521 -4.034 -1.878 1.00 0.00 C ATOM 427 CE3 TRP A 30 -5.889 -6.156 -2.852 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.807 -4.511 -1.626 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.183 -6.640 -2.601 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.140 -5.818 -1.988 1.00 0.00 C ATOM 0 H TRP A 30 -2.830 -5.830 -0.589 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.920 -4.648 -2.554 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.678 -3.740 -3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.120 -5.424 -3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.887 -2.021 -2.038 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.330 -2.023 -1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.159 -6.797 -3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.540 -3.874 -1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.443 -7.650 -2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.134 -6.196 -1.796 1.00 0.00 H new ATOM 441 N CYS A 31 -1.628 -2.264 -1.639 1.00 0.00 N ATOM 442 CA CYS A 31 -1.589 -1.048 -0.770 1.00 0.00 C ATOM 443 C CYS A 31 -2.593 -0.011 -1.275 1.00 0.00 C ATOM 444 O CYS A 31 -2.609 0.336 -2.442 1.00 0.00 O ATOM 445 CB CYS A 31 -0.162 -0.506 -0.899 1.00 0.00 C ATOM 446 SG CYS A 31 0.078 0.876 0.243 1.00 0.00 S ATOM 0 H CYS A 31 -1.423 -2.091 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.848 -1.275 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.557 -1.296 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.021 -0.179 -1.923 1.00 0.00 H new ATOM 451 N ALA A 32 -3.426 0.486 -0.399 1.00 0.00 N ATOM 452 CA ALA A 32 -4.435 1.506 -0.806 1.00 0.00 C ATOM 453 C ALA A 32 -4.689 2.485 0.347 1.00 0.00 C ATOM 454 O ALA A 32 -4.176 2.314 1.439 1.00 0.00 O ATOM 455 CB ALA A 32 -5.702 0.709 -1.124 1.00 0.00 C ATOM 0 H ALA A 32 -3.450 0.227 0.587 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.104 2.098 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.494 1.392 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.496 0.005 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.020 0.162 -0.236 1.00 0.00 H new ATOM 461 N VAL A 33 -5.475 3.505 0.116 1.00 0.00 N ATOM 462 CA VAL A 33 -5.762 4.494 1.204 1.00 0.00 C ATOM 463 C VAL A 33 -6.649 3.848 2.275 1.00 0.00 C ATOM 464 O VAL A 33 -7.831 3.644 2.072 1.00 0.00 O ATOM 465 CB VAL A 33 -6.499 5.660 0.528 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.582 6.841 1.499 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.749 6.099 -0.736 1.00 0.00 C ATOM 0 H VAL A 33 -5.931 3.698 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.850 4.833 1.696 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.502 5.333 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.105 7.669 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.125 6.538 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.576 7.157 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.281 6.926 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.742 6.421 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.690 5.263 -1.433 1.00 0.00 H new ATOM 477 N GLU A 34 -6.085 3.525 3.415 1.00 0.00 N ATOM 478 CA GLU A 34 -6.896 2.893 4.503 1.00 0.00 C ATOM 479 C GLU A 34 -7.690 3.970 5.256 1.00 0.00 C ATOM 480 O GLU A 34 -7.223 4.533 6.230 1.00 0.00 O ATOM 481 CB GLU A 34 -5.877 2.214 5.428 1.00 0.00 C ATOM 482 CG GLU A 34 -5.697 0.751 5.014 1.00 0.00 C ATOM 483 CD GLU A 34 -6.847 -0.091 5.572 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.778 -0.456 6.735 1.00 0.00 O ATOM 485 OE2 GLU A 34 -7.779 -0.354 4.830 1.00 0.00 O ATOM 0 H GLU A 34 -5.101 3.671 3.638 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.621 2.176 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.922 2.736 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.217 2.270 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.670 0.672 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.744 0.373 5.385 1.00 0.00 H new ATOM 492 N ALA A 35 -8.886 4.259 4.805 1.00 0.00 N ATOM 493 CA ALA A 35 -9.720 5.302 5.479 1.00 0.00 C ATOM 494 C ALA A 35 -11.214 5.018 5.256 1.00 0.00 C ATOM 495 O ALA A 35 -11.587 4.428 4.260 1.00 0.00 O ATOM 496 CB ALA A 35 -9.322 6.620 4.811 1.00 0.00 C ATOM 0 H ALA A 35 -9.322 3.816 3.996 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.559 5.324 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.892 7.438 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.257 6.797 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.533 6.565 3.743 1.00 0.00 H new ATOM 502 N PRO A 36 -12.021 5.454 6.195 1.00 0.00 N ATOM 503 CA PRO A 36 -13.491 5.243 6.098 1.00 0.00 C ATOM 504 C PRO A 36 -14.099 6.154 5.020 1.00 0.00 C ATOM 505 O PRO A 36 -14.851 5.648 4.203 1.00 0.00 O ATOM 506 CB PRO A 36 -14.000 5.618 7.488 1.00 0.00 C ATOM 507 CG PRO A 36 -12.972 6.554 8.039 1.00 0.00 C ATOM 508 CD PRO A 36 -11.651 6.174 7.421 1.00 0.00 C ATOM 0 HA PRO A 36 -13.760 4.226 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.979 6.095 7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.109 4.736 8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.225 7.587 7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.925 6.479 9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.047 7.054 7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.064 5.545 8.091 1.00 0.00 H new TER 516 PRO A 36