USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=4 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+ -128:sc= -0.0123 (180deg=-0.277) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -176:sc= 1.37 USER MOD Single : A 25 SER OG : rot 169:sc= 1.2 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 13.530 11.459 -7.166 1.00 0.00 N ATOM 2 CA ASP A 1 13.586 10.985 -5.750 1.00 0.00 C ATOM 3 C ASP A 1 12.167 10.788 -5.202 1.00 0.00 C ATOM 4 O ASP A 1 11.442 11.741 -4.980 1.00 0.00 O ATOM 5 CB ASP A 1 14.314 12.094 -4.984 1.00 0.00 C ATOM 6 CG ASP A 1 15.077 11.488 -3.804 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.479 11.342 -2.749 1.00 0.00 O ATOM 8 OD2 ASP A 1 16.246 11.181 -3.976 1.00 0.00 O ATOM 0 H1 ASP A 1 14.497 11.589 -7.527 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.035 10.754 -7.749 1.00 0.00 H new ATOM 0 H3 ASP A 1 13.020 12.364 -7.209 1.00 0.00 H new ATOM 0 HA ASP A 1 14.097 10.027 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 1 15.004 12.615 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.597 12.833 -4.626 1.00 0.00 H new ATOM 15 N GLY A 2 11.768 9.560 -4.985 1.00 0.00 N ATOM 16 CA GLY A 2 10.396 9.295 -4.454 1.00 0.00 C ATOM 17 C GLY A 2 10.164 7.785 -4.360 1.00 0.00 C ATOM 18 O GLY A 2 10.038 7.108 -5.364 1.00 0.00 O ATOM 0 H GLY A 2 12.334 8.728 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.281 9.753 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.649 9.748 -5.106 1.00 0.00 H new ATOM 22 N GLU A 3 10.107 7.254 -3.164 1.00 0.00 N ATOM 23 CA GLU A 3 9.885 5.781 -3.001 1.00 0.00 C ATOM 24 C GLU A 3 8.461 5.496 -2.492 1.00 0.00 C ATOM 25 O GLU A 3 8.270 4.872 -1.466 1.00 0.00 O ATOM 26 CB GLU A 3 10.944 5.321 -1.986 1.00 0.00 C ATOM 27 CG GLU A 3 10.699 5.977 -0.620 1.00 0.00 C ATOM 28 CD GLU A 3 12.035 6.423 -0.021 1.00 0.00 C ATOM 29 OE1 GLU A 3 12.481 7.510 -0.355 1.00 0.00 O ATOM 30 OE2 GLU A 3 12.593 5.671 0.763 1.00 0.00 O ATOM 0 H GLU A 3 10.204 7.775 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 3 9.980 5.247 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.913 4.236 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.939 5.580 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.034 6.833 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.205 5.273 0.050 1.00 0.00 H new ATOM 37 N CYS A 4 7.460 5.941 -3.213 1.00 0.00 N ATOM 38 CA CYS A 4 6.050 5.690 -2.781 1.00 0.00 C ATOM 39 C CYS A 4 5.333 4.806 -3.813 1.00 0.00 C ATOM 40 O CYS A 4 5.699 4.764 -4.973 1.00 0.00 O ATOM 41 CB CYS A 4 5.411 7.085 -2.675 1.00 0.00 C ATOM 42 SG CYS A 4 4.037 7.261 -3.846 1.00 0.00 S ATOM 0 H CYS A 4 7.559 6.467 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 4 5.986 5.158 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.051 7.248 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.163 7.849 -2.873 1.00 0.00 H new ATOM 47 N GLY A 5 4.316 4.095 -3.390 1.00 0.00 N ATOM 48 CA GLY A 5 3.571 3.204 -4.329 1.00 0.00 C ATOM 49 C GLY A 5 2.557 4.025 -5.135 1.00 0.00 C ATOM 50 O GLY A 5 2.894 5.033 -5.726 1.00 0.00 O ATOM 0 H GLY A 5 3.970 4.095 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.269 2.708 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.057 2.422 -3.771 1.00 0.00 H new ATOM 54 N GLY A 6 1.318 3.596 -5.164 1.00 0.00 N ATOM 55 CA GLY A 6 0.275 4.344 -5.929 1.00 0.00 C ATOM 56 C GLY A 6 -1.076 4.215 -5.212 1.00 0.00 C ATOM 57 O GLY A 6 -1.145 4.262 -3.999 1.00 0.00 O ATOM 0 H GLY A 6 0.985 2.757 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.555 5.394 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.200 3.950 -6.943 1.00 0.00 H new ATOM 61 N PHE A 7 -2.149 4.050 -5.950 1.00 0.00 N ATOM 62 CA PHE A 7 -3.496 3.914 -5.304 1.00 0.00 C ATOM 63 C PHE A 7 -3.816 2.441 -5.018 1.00 0.00 C ATOM 64 O PHE A 7 -4.472 2.121 -4.047 1.00 0.00 O ATOM 65 CB PHE A 7 -4.497 4.496 -6.308 1.00 0.00 C ATOM 66 CG PHE A 7 -5.344 5.547 -5.625 1.00 0.00 C ATOM 67 CD1 PHE A 7 -4.927 6.883 -5.612 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.548 5.183 -5.005 1.00 0.00 C ATOM 69 CE1 PHE A 7 -5.710 7.856 -4.979 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.330 6.157 -4.373 1.00 0.00 C ATOM 71 CZ PHE A 7 -6.911 7.493 -4.359 1.00 0.00 C ATOM 0 H PHE A 7 -2.151 4.004 -6.969 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.535 4.435 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.967 4.934 -7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.132 3.704 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.000 7.164 -6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.872 4.153 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.387 8.887 -4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.258 5.878 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.515 8.243 -3.870 1.00 0.00 H new ATOM 81 N TRP A 8 -3.362 1.547 -5.859 1.00 0.00 N ATOM 82 CA TRP A 8 -3.641 0.095 -5.642 1.00 0.00 C ATOM 83 C TRP A 8 -2.455 -0.743 -6.143 1.00 0.00 C ATOM 84 O TRP A 8 -2.555 -1.459 -7.123 1.00 0.00 O ATOM 85 CB TRP A 8 -4.904 -0.191 -6.464 1.00 0.00 C ATOM 86 CG TRP A 8 -5.714 -1.258 -5.797 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.357 -2.560 -5.695 1.00 0.00 C ATOM 88 CD2 TRP A 8 -7.013 -1.138 -5.146 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.352 -3.245 -5.019 1.00 0.00 N ATOM 90 CE2 TRP A 8 -7.393 -2.412 -4.660 1.00 0.00 C ATOM 91 CE3 TRP A 8 -7.888 -0.059 -4.930 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -8.598 -2.607 -3.986 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -9.102 -0.251 -4.250 1.00 0.00 C ATOM 94 CH2 TRP A 8 -9.456 -1.523 -3.779 1.00 0.00 C ATOM 0 H TRP A 8 -2.809 1.761 -6.689 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.782 -0.155 -4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.497 0.718 -6.565 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.630 -0.506 -7.471 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.445 -2.993 -6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.320 -4.243 -4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.625 0.925 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -8.867 -3.589 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -9.766 0.585 -4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -10.391 -1.665 -3.257 1.00 0.00 H new ATOM 105 N TRP A 9 -1.331 -0.651 -5.475 1.00 0.00 N ATOM 106 CA TRP A 9 -0.129 -1.434 -5.908 1.00 0.00 C ATOM 107 C TRP A 9 -0.056 -2.748 -5.127 1.00 0.00 C ATOM 108 O TRP A 9 -0.683 -2.896 -4.101 1.00 0.00 O ATOM 109 CB TRP A 9 1.072 -0.536 -5.587 1.00 0.00 C ATOM 110 CG TRP A 9 1.177 0.563 -6.603 1.00 0.00 C ATOM 111 CD1 TRP A 9 0.136 1.095 -7.288 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.366 1.273 -7.060 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.610 2.082 -8.129 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.976 2.232 -8.023 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.733 1.183 -6.733 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.901 3.071 -8.640 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.669 2.027 -7.355 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.253 2.971 -8.305 1.00 0.00 C ATOM 0 H TRP A 9 -1.193 -0.068 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.159 -1.696 -6.966 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.962 -0.111 -4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.988 -1.127 -5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.897 0.795 -7.192 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.021 2.633 -8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.064 0.462 -6.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.575 3.794 -9.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.715 1.948 -7.100 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.977 3.619 -8.777 1.00 0.00 H new ATOM 129 N LYS A 10 0.693 -3.708 -5.606 1.00 0.00 N ATOM 130 CA LYS A 10 0.780 -5.014 -4.879 1.00 0.00 C ATOM 131 C LYS A 10 1.916 -4.999 -3.857 1.00 0.00 C ATOM 132 O LYS A 10 3.011 -4.544 -4.135 1.00 0.00 O ATOM 133 CB LYS A 10 1.068 -6.065 -5.952 1.00 0.00 C ATOM 134 CG LYS A 10 -0.244 -6.706 -6.410 1.00 0.00 C ATOM 135 CD LYS A 10 -0.383 -6.560 -7.929 1.00 0.00 C ATOM 136 CE LYS A 10 -1.863 -6.412 -8.303 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.221 -5.007 -7.950 1.00 0.00 N ATOM 0 H LYS A 10 1.245 -3.647 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.141 -5.219 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.574 -5.604 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.739 -6.828 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.262 -7.760 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.087 -6.230 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.177 -5.690 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.042 -7.431 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.021 -6.603 -9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.480 -7.124 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.071 -5.005 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.432 -4.567 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.410 -4.468 -8.819 1.00 0.00 H new ATOM 151 N CYS A 11 1.663 -5.510 -2.681 1.00 0.00 N ATOM 152 CA CYS A 11 2.726 -5.551 -1.635 1.00 0.00 C ATOM 153 C CYS A 11 2.498 -6.743 -0.695 1.00 0.00 C ATOM 154 O CYS A 11 1.391 -7.235 -0.559 1.00 0.00 O ATOM 155 CB CYS A 11 2.604 -4.222 -0.882 1.00 0.00 C ATOM 156 SG CYS A 11 1.025 -4.158 -0.002 1.00 0.00 S ATOM 0 H CYS A 11 0.764 -5.901 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 11 3.721 -5.676 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.428 -4.116 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.675 -3.389 -1.582 1.00 0.00 H new ATOM 161 N GLY A 12 3.535 -7.208 -0.042 1.00 0.00 N ATOM 162 CA GLY A 12 3.381 -8.365 0.891 1.00 0.00 C ATOM 163 C GLY A 12 2.930 -7.853 2.262 1.00 0.00 C ATOM 164 O GLY A 12 1.877 -7.258 2.394 1.00 0.00 O ATOM 0 H GLY A 12 4.482 -6.835 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.651 -9.071 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.326 -8.901 0.983 1.00 0.00 H new ATOM 168 N ARG A 13 3.724 -8.070 3.281 1.00 0.00 N ATOM 169 CA ARG A 13 3.353 -7.586 4.648 1.00 0.00 C ATOM 170 C ARG A 13 3.917 -6.171 4.877 1.00 0.00 C ATOM 171 O ARG A 13 4.298 -5.816 5.978 1.00 0.00 O ATOM 172 CB ARG A 13 3.997 -8.587 5.618 1.00 0.00 C ATOM 173 CG ARG A 13 2.910 -9.437 6.285 1.00 0.00 C ATOM 174 CD ARG A 13 2.212 -8.621 7.379 1.00 0.00 C ATOM 175 NE ARG A 13 2.911 -8.984 8.644 1.00 0.00 N ATOM 176 CZ ARG A 13 2.225 -9.167 9.742 1.00 0.00 C ATOM 177 NH1 ARG A 13 1.691 -10.334 9.994 1.00 0.00 N ATOM 178 NH2 ARG A 13 2.076 -8.183 10.590 1.00 0.00 N ATOM 0 H ARG A 13 4.615 -8.563 3.226 1.00 0.00 H new ATOM 0 HA ARG A 13 2.273 -7.527 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.695 -9.229 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.571 -8.055 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.183 -9.763 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.351 -10.336 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.287 -7.552 7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.150 -8.862 7.433 1.00 0.00 H new ATOM 0 HE ARG A 13 3.925 -9.090 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.810 -11.102 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.156 -10.476 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.495 -7.274 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.541 -8.325 11.447 1.00 0.00 H new ATOM 192 N GLY A 14 3.974 -5.364 3.841 1.00 0.00 N ATOM 193 CA GLY A 14 4.514 -3.980 3.986 1.00 0.00 C ATOM 194 C GLY A 14 5.969 -3.942 3.503 1.00 0.00 C ATOM 195 O GLY A 14 6.808 -3.290 4.096 1.00 0.00 O ATOM 0 H GLY A 14 3.667 -5.610 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.910 -3.281 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.458 -3.664 5.028 1.00 0.00 H new ATOM 199 N LYS A 15 6.275 -4.637 2.431 1.00 0.00 N ATOM 200 CA LYS A 15 7.679 -4.643 1.911 1.00 0.00 C ATOM 201 C LYS A 15 7.982 -3.347 1.141 1.00 0.00 C ATOM 202 O LYS A 15 8.892 -2.623 1.499 1.00 0.00 O ATOM 203 CB LYS A 15 7.771 -5.865 0.988 1.00 0.00 C ATOM 204 CG LYS A 15 8.568 -6.973 1.680 1.00 0.00 C ATOM 205 CD LYS A 15 8.698 -8.174 0.743 1.00 0.00 C ATOM 206 CE LYS A 15 10.136 -8.265 0.219 1.00 0.00 C ATOM 207 NZ LYS A 15 10.105 -9.325 -0.828 1.00 0.00 N ATOM 0 H LYS A 15 5.613 -5.199 1.895 1.00 0.00 H new ATOM 0 HA LYS A 15 8.408 -4.697 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.771 -6.222 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.252 -5.589 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.556 -6.606 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.070 -7.271 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.434 -9.090 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.002 -8.075 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.465 -7.312 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.831 -8.522 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.056 -9.442 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.796 -10.223 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.441 -9.051 -1.580 1.00 0.00 H new ATOM 221 N PRO A 16 7.211 -3.091 0.108 1.00 0.00 N ATOM 222 CA PRO A 16 7.411 -1.867 -0.709 1.00 0.00 C ATOM 223 C PRO A 16 6.901 -0.630 0.047 1.00 0.00 C ATOM 224 O PRO A 16 5.844 -0.670 0.650 1.00 0.00 O ATOM 225 CB PRO A 16 6.575 -2.128 -1.959 1.00 0.00 C ATOM 226 CG PRO A 16 5.527 -3.106 -1.533 1.00 0.00 C ATOM 227 CD PRO A 16 6.097 -3.907 -0.389 1.00 0.00 C ATOM 0 HA PRO A 16 8.458 -1.671 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.126 -1.207 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.187 -2.533 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.620 -2.586 -1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.253 -3.760 -2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.351 -4.077 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.440 -4.887 -0.722 1.00 0.00 H new ATOM 235 N PRO A 17 7.673 0.429 -0.008 1.00 0.00 N ATOM 236 CA PRO A 17 7.291 1.688 0.687 1.00 0.00 C ATOM 237 C PRO A 17 6.139 2.386 -0.049 1.00 0.00 C ATOM 238 O PRO A 17 6.281 2.815 -1.179 1.00 0.00 O ATOM 239 CB PRO A 17 8.566 2.527 0.630 1.00 0.00 C ATOM 240 CG PRO A 17 9.324 2.011 -0.552 1.00 0.00 C ATOM 241 CD PRO A 17 8.959 0.557 -0.712 1.00 0.00 C ATOM 0 HA PRO A 17 6.938 1.525 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.335 3.586 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.147 2.423 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.067 2.574 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.397 2.124 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.867 0.283 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.718 -0.094 -0.278 1.00 0.00 H new ATOM 249 N CYS A 18 4.998 2.501 0.587 1.00 0.00 N ATOM 250 CA CYS A 18 3.831 3.173 -0.068 1.00 0.00 C ATOM 251 C CYS A 18 3.915 4.695 0.132 1.00 0.00 C ATOM 252 O CYS A 18 4.844 5.198 0.737 1.00 0.00 O ATOM 253 CB CYS A 18 2.588 2.606 0.624 1.00 0.00 C ATOM 254 SG CYS A 18 2.432 0.845 0.247 1.00 0.00 S ATOM 0 H CYS A 18 4.824 2.158 1.532 1.00 0.00 H new ATOM 0 HA CYS A 18 3.807 2.993 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.661 2.752 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.698 3.140 0.290 1.00 0.00 H new ATOM 259 N CYS A 19 2.954 5.429 -0.376 1.00 0.00 N ATOM 260 CA CYS A 19 2.985 6.920 -0.216 1.00 0.00 C ATOM 261 C CYS A 19 2.294 7.328 1.092 1.00 0.00 C ATOM 262 O CYS A 19 1.598 6.541 1.709 1.00 0.00 O ATOM 263 CB CYS A 19 2.222 7.496 -1.422 1.00 0.00 C ATOM 264 SG CYS A 19 2.455 6.449 -2.886 1.00 0.00 S ATOM 0 H CYS A 19 2.153 5.064 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 19 4.008 7.294 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.160 7.569 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.572 8.507 -1.632 1.00 0.00 H new ATOM 269 N LYS A 20 2.483 8.556 1.520 1.00 0.00 N ATOM 270 CA LYS A 20 1.845 9.024 2.786 1.00 0.00 C ATOM 271 C LYS A 20 0.320 8.878 2.697 1.00 0.00 C ATOM 272 O LYS A 20 -0.308 9.382 1.784 1.00 0.00 O ATOM 273 CB LYS A 20 2.238 10.499 2.920 1.00 0.00 C ATOM 274 CG LYS A 20 1.940 10.983 4.343 1.00 0.00 C ATOM 275 CD LYS A 20 3.075 11.888 4.832 1.00 0.00 C ATOM 276 CE LYS A 20 2.526 13.285 5.144 1.00 0.00 C ATOM 277 NZ LYS A 20 1.945 13.181 6.514 1.00 0.00 N ATOM 0 H LYS A 20 3.054 9.253 1.043 1.00 0.00 H new ATOM 0 HA LYS A 20 2.171 8.441 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.297 10.625 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.686 11.100 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.995 11.527 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.830 10.129 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.535 11.461 5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.853 11.954 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.316 14.035 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.770 13.582 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.550 14.101 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.191 12.465 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.689 12.904 7.186 1.00 0.00 H new ATOM 291 N GLY A 21 -0.272 8.182 3.635 1.00 0.00 N ATOM 292 CA GLY A 21 -1.752 7.986 3.610 1.00 0.00 C ATOM 293 C GLY A 21 -2.080 6.592 3.060 1.00 0.00 C ATOM 294 O GLY A 21 -3.117 6.031 3.361 1.00 0.00 O ATOM 0 H GLY A 21 0.208 7.740 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.160 8.096 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.219 8.751 2.990 1.00 0.00 H new ATOM 298 N TYR A 22 -1.206 6.034 2.258 1.00 0.00 N ATOM 299 CA TYR A 22 -1.461 4.677 1.686 1.00 0.00 C ATOM 300 C TYR A 22 -0.849 3.602 2.590 1.00 0.00 C ATOM 301 O TYR A 22 0.287 3.706 3.012 1.00 0.00 O ATOM 302 CB TYR A 22 -0.771 4.672 0.317 1.00 0.00 C ATOM 303 CG TYR A 22 -1.438 5.669 -0.606 1.00 0.00 C ATOM 304 CD1 TYR A 22 -1.112 7.029 -0.522 1.00 0.00 C ATOM 305 CD2 TYR A 22 -2.380 5.235 -1.546 1.00 0.00 C ATOM 306 CE1 TYR A 22 -1.723 7.951 -1.378 1.00 0.00 C ATOM 307 CE2 TYR A 22 -2.993 6.158 -2.403 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.665 7.517 -2.319 1.00 0.00 C ATOM 309 OH TYR A 22 -3.270 8.424 -3.167 1.00 0.00 O ATOM 0 H TYR A 22 -0.325 6.462 1.975 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.527 4.465 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.284 4.921 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.818 3.674 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.388 7.366 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.634 4.187 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.468 8.998 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.719 5.822 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.942 7.964 -3.712 1.00 0.00 H new ATOM 319 N ALA A 23 -1.594 2.567 2.879 1.00 0.00 N ATOM 320 CA ALA A 23 -1.068 1.472 3.749 1.00 0.00 C ATOM 321 C ALA A 23 -1.099 0.142 2.989 1.00 0.00 C ATOM 322 O ALA A 23 -1.988 -0.106 2.196 1.00 0.00 O ATOM 323 CB ALA A 23 -2.013 1.430 4.952 1.00 0.00 C ATOM 0 H ALA A 23 -2.549 2.432 2.548 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.035 1.642 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.692 0.648 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.994 2.393 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.027 1.220 4.611 1.00 0.00 H new ATOM 329 N CYS A 24 -0.135 -0.711 3.227 1.00 0.00 N ATOM 330 CA CYS A 24 -0.105 -2.027 2.517 1.00 0.00 C ATOM 331 C CYS A 24 -0.898 -3.068 3.307 1.00 0.00 C ATOM 332 O CYS A 24 -1.151 -2.907 4.487 1.00 0.00 O ATOM 333 CB CYS A 24 1.378 -2.408 2.445 1.00 0.00 C ATOM 334 SG CYS A 24 1.549 -4.141 1.948 1.00 0.00 S ATOM 0 H CYS A 24 0.632 -0.554 3.881 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.555 -1.975 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.893 -1.764 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.850 -2.251 3.415 1.00 0.00 H new ATOM 339 N SER A 25 -1.300 -4.128 2.660 1.00 0.00 N ATOM 340 CA SER A 25 -2.089 -5.179 3.364 1.00 0.00 C ATOM 341 C SER A 25 -1.704 -6.578 2.879 1.00 0.00 C ATOM 342 O SER A 25 -1.801 -6.887 1.708 1.00 0.00 O ATOM 343 CB SER A 25 -3.546 -4.873 3.018 1.00 0.00 C ATOM 344 OG SER A 25 -4.067 -3.950 3.965 1.00 0.00 O ATOM 0 H SER A 25 -1.116 -4.312 1.674 1.00 0.00 H new ATOM 0 HA SER A 25 -1.907 -5.169 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.614 -4.458 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.134 -5.791 3.025 1.00 0.00 H new ATOM 0 HG SER A 25 -4.935 -3.618 3.654 1.00 0.00 H new ATOM 350 N LYS A 26 -1.287 -7.429 3.784 1.00 0.00 N ATOM 351 CA LYS A 26 -0.917 -8.824 3.394 1.00 0.00 C ATOM 352 C LYS A 26 -2.196 -9.617 3.097 1.00 0.00 C ATOM 353 O LYS A 26 -2.264 -10.369 2.142 1.00 0.00 O ATOM 354 CB LYS A 26 -0.183 -9.397 4.610 1.00 0.00 C ATOM 355 CG LYS A 26 0.161 -10.871 4.369 1.00 0.00 C ATOM 356 CD LYS A 26 -0.486 -11.733 5.458 1.00 0.00 C ATOM 357 CE LYS A 26 -1.841 -12.254 4.963 1.00 0.00 C ATOM 358 NZ LYS A 26 -1.994 -13.601 5.586 1.00 0.00 N ATOM 0 H LYS A 26 -1.187 -7.217 4.777 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.293 -8.868 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.728 -8.828 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.806 -9.301 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.193 -11.182 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.242 -11.009 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.167 -12.569 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.620 -11.148 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.651 -11.588 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.864 -12.318 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.900 -14.019 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.213 -14.216 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.976 -13.509 6.622 1.00 0.00 H new ATOM 372 N THR A 27 -3.214 -9.434 3.904 1.00 0.00 N ATOM 373 CA THR A 27 -4.510 -10.151 3.677 1.00 0.00 C ATOM 374 C THR A 27 -5.096 -9.737 2.324 1.00 0.00 C ATOM 375 O THR A 27 -5.615 -10.553 1.587 1.00 0.00 O ATOM 376 CB THR A 27 -5.429 -9.705 4.824 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.826 -10.033 6.068 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.779 -10.419 4.711 1.00 0.00 C ATOM 0 H THR A 27 -3.203 -8.815 4.715 1.00 0.00 H new ATOM 0 HA THR A 27 -4.389 -11.234 3.662 1.00 0.00 H new ATOM 0 HB THR A 27 -5.583 -8.628 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.411 -9.747 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.429 -10.100 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.244 -10.169 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.627 -11.497 4.769 1.00 0.00 H new ATOM 386 N TRP A 28 -5.000 -8.475 1.994 1.00 0.00 N ATOM 387 CA TRP A 28 -5.534 -7.990 0.683 1.00 0.00 C ATOM 388 C TRP A 28 -4.524 -8.308 -0.423 1.00 0.00 C ATOM 389 O TRP A 28 -4.888 -8.671 -1.527 1.00 0.00 O ATOM 390 CB TRP A 28 -5.686 -6.468 0.828 1.00 0.00 C ATOM 391 CG TRP A 28 -6.576 -6.119 1.988 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.252 -7.000 2.766 1.00 0.00 C ATOM 393 CD2 TRP A 28 -6.890 -4.795 2.507 1.00 0.00 C ATOM 394 NE1 TRP A 28 -7.950 -6.298 3.731 1.00 0.00 N ATOM 395 CE2 TRP A 28 -7.762 -4.936 3.610 1.00 0.00 C ATOM 396 CE3 TRP A 28 -6.504 -3.497 2.127 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.234 -3.830 4.316 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -6.978 -2.380 2.835 1.00 0.00 C ATOM 399 CH2 TRP A 28 -7.841 -2.547 3.927 1.00 0.00 C ATOM 0 H TRP A 28 -4.573 -7.755 2.578 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.482 -8.464 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.705 -6.014 0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.101 -6.052 -0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.246 -8.074 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.533 -6.734 4.446 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.840 -3.358 1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.898 -3.964 5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.676 -1.387 2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.202 -1.684 4.467 1.00 0.00 H new ATOM 410 N GLY A 29 -3.255 -8.169 -0.126 1.00 0.00 N ATOM 411 CA GLY A 29 -2.197 -8.454 -1.136 1.00 0.00 C ATOM 412 C GLY A 29 -1.839 -7.176 -1.906 1.00 0.00 C ATOM 413 O GLY A 29 -1.201 -7.238 -2.940 1.00 0.00 O ATOM 0 H GLY A 29 -2.907 -7.867 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.310 -8.850 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.544 -9.220 -1.830 1.00 0.00 H new ATOM 417 N TRP A 30 -2.233 -6.017 -1.421 1.00 0.00 N ATOM 418 CA TRP A 30 -1.892 -4.755 -2.151 1.00 0.00 C ATOM 419 C TRP A 30 -1.792 -3.568 -1.182 1.00 0.00 C ATOM 420 O TRP A 30 -2.048 -3.693 0.001 1.00 0.00 O ATOM 421 CB TRP A 30 -3.021 -4.553 -3.181 1.00 0.00 C ATOM 422 CG TRP A 30 -4.259 -4.014 -2.528 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.412 -2.750 -2.066 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.524 -4.692 -2.277 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.679 -2.618 -1.535 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.405 -3.785 -1.643 1.00 0.00 C ATOM 427 CE3 TRP A 30 -5.987 -5.997 -2.532 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.699 -4.156 -1.275 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.287 -6.373 -2.164 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.142 -5.453 -1.536 1.00 0.00 C ATOM 0 H TRP A 30 -2.769 -5.894 -0.562 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.920 -4.821 -2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.688 -3.866 -3.959 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.247 -5.502 -3.668 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.664 -1.972 -2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.035 -1.760 -1.113 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.337 -6.713 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.352 -3.445 -0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.633 -7.376 -2.365 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.142 -5.749 -1.255 1.00 0.00 H new ATOM 441 N CYS A 31 -1.433 -2.413 -1.687 1.00 0.00 N ATOM 442 CA CYS A 31 -1.322 -1.201 -0.822 1.00 0.00 C ATOM 443 C CYS A 31 -2.199 -0.076 -1.377 1.00 0.00 C ATOM 444 O CYS A 31 -2.088 0.302 -2.531 1.00 0.00 O ATOM 445 CB CYS A 31 0.154 -0.797 -0.862 1.00 0.00 C ATOM 446 SG CYS A 31 0.444 0.519 0.341 1.00 0.00 S ATOM 0 H CYS A 31 -1.211 -2.259 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.656 -1.398 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.785 -1.657 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.423 -0.457 -1.862 1.00 0.00 H new ATOM 451 N ALA A 32 -3.067 0.462 -0.558 1.00 0.00 N ATOM 452 CA ALA A 32 -3.960 1.571 -1.014 1.00 0.00 C ATOM 453 C ALA A 32 -4.206 2.548 0.142 1.00 0.00 C ATOM 454 O ALA A 32 -3.679 2.379 1.223 1.00 0.00 O ATOM 455 CB ALA A 32 -5.265 0.884 -1.433 1.00 0.00 C ATOM 0 H ALA A 32 -3.196 0.179 0.413 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.528 2.147 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.975 1.634 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.062 0.176 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.687 0.353 -0.580 1.00 0.00 H new ATOM 461 N VAL A 33 -5.002 3.570 -0.073 1.00 0.00 N ATOM 462 CA VAL A 33 -5.278 4.554 1.026 1.00 0.00 C ATOM 463 C VAL A 33 -5.924 3.842 2.224 1.00 0.00 C ATOM 464 O VAL A 33 -6.515 2.788 2.085 1.00 0.00 O ATOM 465 CB VAL A 33 -6.240 5.585 0.425 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.658 6.591 1.501 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.543 6.335 -0.714 1.00 0.00 C ATOM 0 H VAL A 33 -5.471 3.765 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.365 5.026 1.390 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.121 5.069 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.342 7.322 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.155 6.066 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.775 7.102 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.228 7.068 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.661 6.845 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.243 5.627 -1.486 1.00 0.00 H new ATOM 477 N GLU A 34 -5.806 4.413 3.401 1.00 0.00 N ATOM 478 CA GLU A 34 -6.402 3.776 4.620 1.00 0.00 C ATOM 479 C GLU A 34 -7.931 3.672 4.486 1.00 0.00 C ATOM 480 O GLU A 34 -8.451 2.659 4.058 1.00 0.00 O ATOM 481 CB GLU A 34 -6.011 4.696 5.784 1.00 0.00 C ATOM 482 CG GLU A 34 -4.498 4.619 6.022 1.00 0.00 C ATOM 483 CD GLU A 34 -4.000 5.952 6.593 1.00 0.00 C ATOM 484 OE1 GLU A 34 -4.074 6.945 5.886 1.00 0.00 O ATOM 485 OE2 GLU A 34 -3.549 5.956 7.727 1.00 0.00 O ATOM 0 H GLU A 34 -5.322 5.295 3.570 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.039 2.759 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.301 5.723 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.546 4.402 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.269 3.807 6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.983 4.397 5.087 1.00 0.00 H new ATOM 492 N ALA A 35 -8.654 4.708 4.846 1.00 0.00 N ATOM 493 CA ALA A 35 -10.146 4.668 4.741 1.00 0.00 C ATOM 494 C ALA A 35 -10.735 6.063 4.995 1.00 0.00 C ATOM 495 O ALA A 35 -10.319 6.748 5.911 1.00 0.00 O ATOM 496 CB ALA A 35 -10.603 3.692 5.829 1.00 0.00 C ATOM 0 H ALA A 35 -8.272 5.581 5.209 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.476 4.356 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.690 3.611 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.164 2.711 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.281 4.058 6.804 1.00 0.00 H new ATOM 502 N PRO A 36 -11.690 6.441 4.175 1.00 0.00 N ATOM 503 CA PRO A 36 -12.340 7.770 4.320 1.00 0.00 C ATOM 504 C PRO A 36 -13.269 7.790 5.542 1.00 0.00 C ATOM 505 O PRO A 36 -13.183 8.736 6.309 1.00 0.00 O ATOM 506 CB PRO A 36 -13.134 7.925 3.027 1.00 0.00 C ATOM 507 CG PRO A 36 -13.389 6.529 2.554 1.00 0.00 C ATOM 508 CD PRO A 36 -12.247 5.677 3.048 1.00 0.00 C ATOM 0 HA PRO A 36 -11.626 8.579 4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.068 8.459 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.573 8.496 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.340 6.160 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.451 6.496 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.592 4.693 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.502 5.517 2.268 1.00 0.00 H new TER 516 PRO A 36