USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 513 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 88 MET CE :methyl -155:sc= -0.0144 (180deg=-0.577) USER MOD Single : A 91 MET CE :methyl -153:sc= -0.0676 (180deg=-0.858) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 44:sc= -0.384 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -3.1 K(o=-3.1,f=-6.8!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -2.15 X(o=-2.1,f=-2!) USER MOD Single : A 137 HIS : no HD1:sc= 0.122 K(o=0.12,f=-2.7) USER MOD Single : A 139 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.3) USER MOD Single : A 141 GLN : amide:sc= -3.29 K(o=-3.3,f=-6.6!) USER MOD Single : A 142 GLN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= -0.591 K(o=-0.59,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.867 6.450 15.521 1.00 0.00 N ATOM 2 CA MET A 88 1.444 6.539 15.100 1.00 0.00 C ATOM 3 C MET A 88 1.006 7.992 14.947 1.00 0.00 C ATOM 4 O MET A 88 1.337 8.841 15.775 1.00 0.00 O ATOM 5 CB MET A 88 0.581 5.835 16.149 1.00 0.00 C ATOM 6 CG MET A 88 0.719 6.419 17.544 1.00 0.00 C ATOM 7 SD MET A 88 -0.053 5.390 18.807 1.00 0.00 S ATOM 8 CE MET A 88 -1.773 5.489 18.319 1.00 0.00 C ATOM 0 HA MET A 88 1.326 6.056 14.130 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.464 5.890 15.843 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.850 4.779 16.178 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.776 6.544 17.779 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.269 7.412 17.564 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.408 5.307 19.186 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.981 6.481 17.918 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.978 4.739 17.555 1.00 0.00 H new ATOM 20 N PHE A 89 0.262 8.272 13.882 1.00 0.00 N ATOM 21 CA PHE A 89 -0.220 9.624 13.623 1.00 0.00 C ATOM 22 C PHE A 89 -1.504 9.599 12.800 1.00 0.00 C ATOM 23 O PHE A 89 -1.476 9.359 11.593 1.00 0.00 O ATOM 24 CB PHE A 89 0.851 10.438 12.894 1.00 0.00 C ATOM 25 CG PHE A 89 1.756 11.201 13.819 1.00 0.00 C ATOM 26 CD1 PHE A 89 1.298 12.329 14.483 1.00 0.00 C ATOM 27 CD2 PHE A 89 3.063 10.791 14.026 1.00 0.00 C ATOM 28 CE1 PHE A 89 2.128 13.032 15.335 1.00 0.00 C ATOM 29 CE2 PHE A 89 3.897 11.490 14.877 1.00 0.00 C ATOM 30 CZ PHE A 89 3.429 12.613 15.532 1.00 0.00 C ATOM 0 H PHE A 89 -0.020 7.582 13.185 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.436 10.095 14.582 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.453 9.766 12.282 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.365 11.138 12.215 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.282 12.662 14.333 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.434 9.914 13.516 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.759 13.909 15.847 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.914 11.159 15.030 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.079 13.162 16.197 1.00 0.00 H new ATOM 40 N ALA A 90 -2.629 9.850 13.462 1.00 0.00 N ATOM 41 CA ALA A 90 -3.924 9.857 12.794 1.00 0.00 C ATOM 42 C ALA A 90 -4.108 11.125 11.968 1.00 0.00 C ATOM 43 O ALA A 90 -3.987 12.236 12.481 1.00 0.00 O ATOM 44 CB ALA A 90 -5.045 9.726 13.816 1.00 0.00 C ATOM 0 H ALA A 90 -2.669 10.051 14.461 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.961 9.004 12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.007 9.733 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.931 8.790 14.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.000 10.562 14.514 1.00 0.00 H new ATOM 50 N MET A 91 -4.399 10.949 10.683 1.00 0.00 N ATOM 51 CA MET A 91 -4.598 12.078 9.782 1.00 0.00 C ATOM 52 C MET A 91 -5.996 12.043 9.168 1.00 0.00 C ATOM 53 O MET A 91 -6.879 11.337 9.653 1.00 0.00 O ATOM 54 CB MET A 91 -3.538 12.066 8.677 1.00 0.00 C ATOM 55 CG MET A 91 -2.992 13.445 8.342 1.00 0.00 C ATOM 56 SD MET A 91 -2.851 13.725 6.565 1.00 0.00 S ATOM 57 CE MET A 91 -1.982 12.244 6.056 1.00 0.00 C ATOM 0 H MET A 91 -4.502 10.035 10.242 1.00 0.00 H new ATOM 0 HA MET A 91 -4.499 12.997 10.359 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.713 11.422 8.983 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.968 11.626 7.777 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.643 14.204 8.775 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.012 13.565 8.804 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.410 12.450 5.151 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.304 11.929 6.849 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.702 11.450 5.857 1.00 0.00 H new ATOM 67 N TYR A 92 -6.189 12.806 8.096 1.00 0.00 N ATOM 68 CA TYR A 92 -7.477 12.858 7.414 1.00 0.00 C ATOM 69 C TYR A 92 -7.379 12.206 6.039 1.00 0.00 C ATOM 70 O TYR A 92 -6.301 12.147 5.453 1.00 0.00 O ATOM 71 CB TYR A 92 -7.949 14.308 7.273 1.00 0.00 C ATOM 72 CG TYR A 92 -6.856 15.266 6.856 1.00 0.00 C ATOM 73 CD1 TYR A 92 -5.962 15.780 7.788 1.00 0.00 C ATOM 74 CD2 TYR A 92 -6.716 15.656 5.530 1.00 0.00 C ATOM 75 CE1 TYR A 92 -4.961 16.656 7.410 1.00 0.00 C ATOM 76 CE2 TYR A 92 -5.718 16.530 5.143 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.844 17.028 6.087 1.00 0.00 C ATOM 78 OH TYR A 92 -3.849 17.898 5.706 1.00 0.00 O ATOM 0 H TYR A 92 -5.469 13.397 7.681 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.204 12.308 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.755 14.349 6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.366 14.639 8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.051 15.490 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.399 15.269 4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.275 17.047 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.623 16.822 4.107 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.905 18.056 4.740 1.00 0.00 H new ATOM 88 N PRO A 93 -8.503 11.699 5.506 1.00 0.00 N ATOM 89 CA PRO A 93 -8.533 11.043 4.198 1.00 0.00 C ATOM 90 C PRO A 93 -8.667 12.029 3.038 1.00 0.00 C ATOM 91 O PRO A 93 -9.226 11.695 1.992 1.00 0.00 O ATOM 92 CB PRO A 93 -9.779 10.169 4.298 1.00 0.00 C ATOM 93 CG PRO A 93 -10.703 10.941 5.178 1.00 0.00 C ATOM 94 CD PRO A 93 -9.835 11.716 6.140 1.00 0.00 C ATOM 0 HA PRO A 93 -7.611 10.500 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.220 9.992 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.547 9.193 4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.326 11.614 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.375 10.272 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.200 12.734 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.815 11.250 7.125 1.00 0.00 H new ATOM 102 N ASP A 94 -8.158 13.243 3.223 1.00 0.00 N ATOM 103 CA ASP A 94 -8.229 14.268 2.188 1.00 0.00 C ATOM 104 C ASP A 94 -6.843 14.615 1.651 1.00 0.00 C ATOM 105 O ASP A 94 -6.621 15.722 1.158 1.00 0.00 O ATOM 106 CB ASP A 94 -8.904 15.526 2.737 1.00 0.00 C ATOM 107 CG ASP A 94 -9.799 16.194 1.713 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.742 15.535 1.229 1.00 0.00 O ATOM 109 OD2 ASP A 94 -9.557 17.378 1.394 1.00 0.00 O ATOM 0 H ASP A 94 -7.692 13.541 4.080 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.821 13.869 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.494 15.265 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.140 16.232 3.064 1.00 0.00 H new ATOM 114 N TRP A 95 -5.910 13.672 1.749 1.00 0.00 N ATOM 115 CA TRP A 95 -4.553 13.897 1.272 1.00 0.00 C ATOM 116 C TRP A 95 -4.451 13.666 -0.232 1.00 0.00 C ATOM 117 O TRP A 95 -5.012 12.710 -0.764 1.00 0.00 O ATOM 118 CB TRP A 95 -3.568 12.983 2.007 1.00 0.00 C ATOM 119 CG TRP A 95 -4.053 11.575 2.169 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.606 11.026 3.288 1.00 0.00 C ATOM 121 CD2 TRP A 95 -4.024 10.536 1.184 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.926 9.709 3.060 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.578 9.385 1.775 1.00 0.00 C ATOM 124 CE3 TRP A 95 -3.586 10.468 -0.143 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.703 8.181 1.086 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -3.711 9.272 -0.824 1.00 0.00 C ATOM 127 CH2 TRP A 95 -4.267 8.143 -0.209 1.00 0.00 C ATOM 0 H TRP A 95 -6.070 12.749 2.153 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.297 14.936 1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.623 12.971 1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.364 13.402 2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.769 11.550 4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.353 9.076 3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.158 11.334 -0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.129 7.308 1.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.374 9.207 -1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.353 7.224 -0.769 1.00 0.00 H new ATOM 138 N GLN A 96 -3.727 14.551 -0.909 1.00 0.00 N ATOM 139 CA GLN A 96 -3.542 14.450 -2.352 1.00 0.00 C ATOM 140 C GLN A 96 -2.126 14.867 -2.743 1.00 0.00 C ATOM 141 O GLN A 96 -1.859 16.047 -2.970 1.00 0.00 O ATOM 142 CB GLN A 96 -4.563 15.324 -3.081 1.00 0.00 C ATOM 143 CG GLN A 96 -4.738 16.702 -2.462 1.00 0.00 C ATOM 144 CD GLN A 96 -4.595 17.819 -3.477 1.00 0.00 C ATOM 145 OE1 GLN A 96 -5.465 18.019 -4.325 1.00 0.00 O ATOM 146 NE2 GLN A 96 -3.493 18.555 -3.395 1.00 0.00 N ATOM 0 H GLN A 96 -3.258 15.348 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.693 13.411 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.255 15.438 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.526 14.813 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.721 16.764 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.000 16.838 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.798 18.354 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.342 19.321 -4.051 1.00 0.00 H new ATOM 155 N PRO A 97 -1.193 13.902 -2.820 1.00 0.00 N ATOM 156 CA PRO A 97 0.200 14.178 -3.178 1.00 0.00 C ATOM 157 C PRO A 97 0.386 14.412 -4.673 1.00 0.00 C ATOM 158 O PRO A 97 -0.585 14.509 -5.424 1.00 0.00 O ATOM 159 CB PRO A 97 0.925 12.905 -2.745 1.00 0.00 C ATOM 160 CG PRO A 97 -0.096 11.829 -2.880 1.00 0.00 C ATOM 161 CD PRO A 97 -1.421 12.467 -2.556 1.00 0.00 C ATOM 0 HA PRO A 97 0.571 15.087 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.793 12.709 -3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.286 12.983 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.098 11.418 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.116 11.004 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.221 12.067 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.707 12.291 -1.519 1.00 0.00 H new ATOM 169 N ASP A 98 1.642 14.502 -5.098 1.00 0.00 N ATOM 170 CA ASP A 98 1.966 14.724 -6.502 1.00 0.00 C ATOM 171 C ASP A 98 3.457 14.515 -6.749 1.00 0.00 C ATOM 172 O ASP A 98 3.861 13.540 -7.381 1.00 0.00 O ATOM 173 CB ASP A 98 1.555 16.135 -6.926 1.00 0.00 C ATOM 174 CG ASP A 98 0.863 16.154 -8.275 1.00 0.00 C ATOM 175 OD1 ASP A 98 1.431 15.600 -9.240 1.00 0.00 O ATOM 176 OD2 ASP A 98 -0.246 16.721 -8.365 1.00 0.00 O ATOM 0 H ASP A 98 2.455 14.424 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 98 1.411 14.001 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.890 16.558 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.439 16.772 -6.965 1.00 0.00 H new ATOM 181 N ALA A 99 4.268 15.438 -6.242 1.00 0.00 N ATOM 182 CA ALA A 99 5.715 15.354 -6.403 1.00 0.00 C ATOM 183 C ALA A 99 6.339 14.538 -5.276 1.00 0.00 C ATOM 184 O ALA A 99 7.303 13.801 -5.488 1.00 0.00 O ATOM 185 CB ALA A 99 6.322 16.748 -6.448 1.00 0.00 C ATOM 0 H ALA A 99 3.948 16.252 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 99 5.927 14.849 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.403 16.671 -6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.902 17.301 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.097 17.273 -5.520 1.00 0.00 H new ATOM 191 N ASP A 100 5.782 14.676 -4.077 1.00 0.00 N ATOM 192 CA ASP A 100 6.279 13.953 -2.913 1.00 0.00 C ATOM 193 C ASP A 100 6.058 12.451 -3.066 1.00 0.00 C ATOM 194 O ASP A 100 6.783 11.647 -2.482 1.00 0.00 O ATOM 195 CB ASP A 100 5.590 14.455 -1.643 1.00 0.00 C ATOM 196 CG ASP A 100 5.960 15.887 -1.312 1.00 0.00 C ATOM 197 OD1 ASP A 100 6.040 16.711 -2.247 1.00 0.00 O ATOM 198 OD2 ASP A 100 6.168 16.187 -0.117 1.00 0.00 O ATOM 0 H ASP A 100 4.985 15.283 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 100 7.351 14.136 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.509 14.381 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.861 13.810 -0.807 1.00 0.00 H new ATOM 203 N PHE A 101 5.055 12.079 -3.854 1.00 0.00 N ATOM 204 CA PHE A 101 4.743 10.672 -4.081 1.00 0.00 C ATOM 205 C PHE A 101 5.886 9.973 -4.810 1.00 0.00 C ATOM 206 O PHE A 101 6.243 8.841 -4.485 1.00 0.00 O ATOM 207 CB PHE A 101 3.451 10.538 -4.888 1.00 0.00 C ATOM 208 CG PHE A 101 2.858 9.159 -4.847 1.00 0.00 C ATOM 209 CD1 PHE A 101 3.458 8.111 -5.527 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.700 8.909 -4.128 1.00 0.00 C ATOM 211 CE1 PHE A 101 2.915 6.841 -5.491 1.00 0.00 C ATOM 212 CE2 PHE A 101 1.151 7.641 -4.089 1.00 0.00 C ATOM 213 CZ PHE A 101 1.760 6.606 -4.771 1.00 0.00 C ATOM 0 H PHE A 101 4.444 12.731 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 101 4.608 10.194 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.719 11.251 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.650 10.808 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.361 8.289 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.221 9.715 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.393 6.033 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.247 7.460 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.334 5.614 -4.741 1.00 0.00 H new ATOM 223 N ILE A 102 6.456 10.657 -5.797 1.00 0.00 N ATOM 224 CA ILE A 102 7.560 10.104 -6.573 1.00 0.00 C ATOM 225 C ILE A 102 8.866 10.163 -5.790 1.00 0.00 C ATOM 226 O ILE A 102 9.696 9.258 -5.879 1.00 0.00 O ATOM 227 CB ILE A 102 7.738 10.851 -7.908 1.00 0.00 C ATOM 228 CG1 ILE A 102 6.395 10.985 -8.626 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.746 10.128 -8.790 1.00 0.00 C ATOM 230 CD1 ILE A 102 6.471 11.788 -9.906 1.00 0.00 C ATOM 0 H ILE A 102 6.171 11.595 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 102 7.311 9.063 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 102 8.118 11.851 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.013 9.990 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.678 11.456 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.861 10.668 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.708 10.080 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.392 9.117 -8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.482 11.842 -10.361 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.823 12.795 -9.683 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.163 11.306 -10.597 1.00 0.00 H new ATOM 242 N ARG A 103 9.043 11.234 -5.022 1.00 0.00 N ATOM 243 CA ARG A 103 10.248 11.411 -4.223 1.00 0.00 C ATOM 244 C ARG A 103 10.262 10.445 -3.042 1.00 0.00 C ATOM 245 O ARG A 103 11.301 9.876 -2.704 1.00 0.00 O ATOM 246 CB ARG A 103 10.345 12.855 -3.722 1.00 0.00 C ATOM 247 CG ARG A 103 11.487 13.641 -4.347 1.00 0.00 C ATOM 248 CD ARG A 103 12.542 14.012 -3.317 1.00 0.00 C ATOM 249 NE ARG A 103 12.203 15.243 -2.605 1.00 0.00 N ATOM 250 CZ ARG A 103 12.986 15.808 -1.688 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.150 15.257 -1.368 1.00 0.00 N ATOM 252 NH2 ARG A 103 12.603 16.926 -1.088 1.00 0.00 N ATOM 0 H ARG A 103 8.366 11.992 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 103 11.110 11.196 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.406 13.367 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.470 12.847 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.945 13.050 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.095 14.547 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.652 13.198 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.505 14.133 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 103 11.315 15.695 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.449 14.396 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.745 15.695 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.709 17.353 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.203 17.359 -0.386 1.00 0.00 H new ATOM 266 N LEU A 104 9.102 10.263 -2.422 1.00 0.00 N ATOM 267 CA LEU A 104 8.976 9.365 -1.281 1.00 0.00 C ATOM 268 C LEU A 104 9.167 7.914 -1.711 1.00 0.00 C ATOM 269 O LEU A 104 9.876 7.149 -1.057 1.00 0.00 O ATOM 270 CB LEU A 104 7.608 9.534 -0.620 1.00 0.00 C ATOM 271 CG LEU A 104 7.492 10.723 0.336 1.00 0.00 C ATOM 272 CD1 LEU A 104 6.075 10.833 0.880 1.00 0.00 C ATOM 273 CD2 LEU A 104 8.493 10.591 1.474 1.00 0.00 C ATOM 0 H LEU A 104 8.234 10.726 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 104 9.754 9.621 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.855 9.641 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.372 8.622 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 104 7.719 11.634 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.011 11.684 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.378 10.974 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.820 9.920 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.397 11.445 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.297 9.672 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.504 10.561 1.068 1.00 0.00 H new ATOM 285 N ALA A 105 8.529 7.544 -2.815 1.00 0.00 N ATOM 286 CA ALA A 105 8.626 6.184 -3.335 1.00 0.00 C ATOM 287 C ALA A 105 10.063 5.845 -3.716 1.00 0.00 C ATOM 288 O ALA A 105 10.535 4.735 -3.470 1.00 0.00 O ATOM 289 CB ALA A 105 7.705 6.013 -4.534 1.00 0.00 C ATOM 0 H ALA A 105 7.939 8.166 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 105 8.314 5.496 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.786 4.994 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.676 6.207 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.992 6.715 -5.317 1.00 0.00 H new ATOM 295 N ALA A 106 10.753 6.808 -4.319 1.00 0.00 N ATOM 296 CA ALA A 106 12.136 6.611 -4.736 1.00 0.00 C ATOM 297 C ALA A 106 13.072 6.568 -3.532 1.00 0.00 C ATOM 298 O ALA A 106 14.067 5.845 -3.534 1.00 0.00 O ATOM 299 CB ALA A 106 12.559 7.712 -5.695 1.00 0.00 C ATOM 0 H ALA A 106 10.377 7.732 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 106 12.202 5.651 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.594 7.553 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.916 7.695 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.471 8.679 -5.200 1.00 0.00 H new ATOM 305 N LEU A 107 12.746 7.348 -2.507 1.00 0.00 N ATOM 306 CA LEU A 107 13.555 7.401 -1.298 1.00 0.00 C ATOM 307 C LEU A 107 13.228 6.229 -0.375 1.00 0.00 C ATOM 308 O LEU A 107 14.088 5.750 0.365 1.00 0.00 O ATOM 309 CB LEU A 107 13.326 8.732 -0.572 1.00 0.00 C ATOM 310 CG LEU A 107 13.795 8.773 0.884 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.302 8.591 0.965 1.00 0.00 C ATOM 312 CD2 LEU A 107 13.377 10.080 1.540 1.00 0.00 C ATOM 0 H LEU A 107 11.925 7.953 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 107 14.605 7.328 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.838 9.520 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.261 8.963 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 107 13.322 7.951 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.617 8.623 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.576 7.629 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.795 9.391 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 107 13.718 10.093 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 107 13.822 10.916 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.291 10.169 1.515 1.00 0.00 H new ATOM 324 N TRP A 108 11.981 5.774 -0.423 1.00 0.00 N ATOM 325 CA TRP A 108 11.540 4.660 0.410 1.00 0.00 C ATOM 326 C TRP A 108 12.081 3.329 -0.111 1.00 0.00 C ATOM 327 O TRP A 108 12.025 2.315 0.585 1.00 0.00 O ATOM 328 CB TRP A 108 10.011 4.617 0.467 1.00 0.00 C ATOM 329 CG TRP A 108 9.411 5.737 1.262 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.077 6.646 2.034 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.021 6.067 1.365 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.187 7.520 2.610 1.00 0.00 N ATOM 333 CE2 TRP A 108 7.919 7.186 2.214 1.00 0.00 C ATOM 334 CE3 TRP A 108 6.852 5.527 0.821 1.00 0.00 C ATOM 335 CZ2 TRP A 108 6.696 7.771 2.531 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.639 6.108 1.137 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.568 7.222 1.984 1.00 0.00 C ATOM 0 H TRP A 108 11.257 6.159 -1.030 1.00 0.00 H new ATOM 0 HA TRP A 108 11.934 4.816 1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.616 4.651 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.698 3.667 0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.148 6.674 2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.431 8.292 3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.896 4.670 0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.639 8.628 3.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.730 5.696 0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.605 7.656 2.209 1.00 0.00 H new ATOM 348 N GLY A 109 12.605 3.336 -1.334 1.00 0.00 N ATOM 349 CA GLY A 109 13.144 2.120 -1.915 1.00 0.00 C ATOM 350 C GLY A 109 12.200 1.488 -2.918 1.00 0.00 C ATOM 351 O GLY A 109 12.119 0.264 -3.020 1.00 0.00 O ATOM 0 H GLY A 109 12.666 4.161 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.092 2.344 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.357 1.405 -1.120 1.00 0.00 H new ATOM 355 N VAL A 110 11.485 2.325 -3.662 1.00 0.00 N ATOM 356 CA VAL A 110 10.541 1.844 -4.663 1.00 0.00 C ATOM 357 C VAL A 110 10.784 2.514 -6.011 1.00 0.00 C ATOM 358 O VAL A 110 10.812 3.741 -6.110 1.00 0.00 O ATOM 359 CB VAL A 110 9.083 2.098 -4.231 1.00 0.00 C ATOM 360 CG1 VAL A 110 8.114 1.453 -5.211 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.845 1.584 -2.819 1.00 0.00 C ATOM 0 H VAL A 110 11.542 3.341 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 110 10.700 0.770 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 110 8.906 3.174 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.090 1.643 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.266 1.875 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.290 0.378 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.810 1.773 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.042 0.512 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.512 2.098 -2.127 1.00 0.00 H new ATOM 371 N ALA A 111 10.961 1.701 -7.048 1.00 0.00 N ATOM 372 CA ALA A 111 11.202 2.216 -8.390 1.00 0.00 C ATOM 373 C ALA A 111 10.069 1.836 -9.337 1.00 0.00 C ATOM 374 O ALA A 111 10.061 0.746 -9.906 1.00 0.00 O ATOM 375 CB ALA A 111 12.530 1.699 -8.921 1.00 0.00 C ATOM 0 H ALA A 111 10.942 0.683 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 111 11.243 3.304 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.698 2.091 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.336 2.025 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 111 12.509 0.610 -8.956 1.00 0.00 H new ATOM 381 N LEU A 112 9.112 2.745 -9.499 1.00 0.00 N ATOM 382 CA LEU A 112 7.972 2.506 -10.376 1.00 0.00 C ATOM 383 C LEU A 112 8.258 3.005 -11.789 1.00 0.00 C ATOM 384 O LEU A 112 8.772 4.108 -11.976 1.00 0.00 O ATOM 385 CB LEU A 112 6.724 3.196 -9.823 1.00 0.00 C ATOM 386 CG LEU A 112 6.363 2.825 -8.383 1.00 0.00 C ATOM 387 CD1 LEU A 112 5.807 4.032 -7.643 1.00 0.00 C ATOM 388 CD2 LEU A 112 5.363 1.679 -8.364 1.00 0.00 C ATOM 0 H LEU A 112 9.104 3.653 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 112 7.797 1.431 -10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.869 4.275 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.878 2.955 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 112 7.270 2.499 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.556 3.748 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.555 4.825 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.911 4.389 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.117 1.428 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.457 1.978 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.798 0.809 -8.856 1.00 0.00 H new ATOM 400 N ARG A 113 7.924 2.185 -12.781 1.00 0.00 N ATOM 401 CA ARG A 113 8.146 2.544 -14.176 1.00 0.00 C ATOM 402 C ARG A 113 7.211 3.672 -14.604 1.00 0.00 C ATOM 403 O ARG A 113 7.607 4.574 -15.342 1.00 0.00 O ATOM 404 CB ARG A 113 7.942 1.322 -15.077 1.00 0.00 C ATOM 405 CG ARG A 113 9.207 0.880 -15.797 1.00 0.00 C ATOM 406 CD ARG A 113 8.923 0.488 -17.238 1.00 0.00 C ATOM 407 NE ARG A 113 9.975 0.938 -18.146 1.00 0.00 N ATOM 408 CZ ARG A 113 10.133 0.477 -19.384 1.00 0.00 C ATOM 409 NH1 ARG A 113 9.312 -0.447 -19.866 1.00 0.00 N ATOM 410 NH2 ARG A 113 11.117 0.941 -20.143 1.00 0.00 N ATOM 0 H ARG A 113 7.499 1.268 -12.644 1.00 0.00 H new ATOM 0 HA ARG A 113 9.174 2.893 -14.277 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.569 0.494 -14.474 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.174 1.550 -15.816 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.939 1.687 -15.777 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.650 0.035 -15.270 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.825 -0.595 -17.306 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.969 0.915 -17.548 1.00 0.00 H new ATOM 0 HE ARG A 113 10.627 1.647 -17.811 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.554 -0.808 -19.287 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.439 -0.796 -20.816 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.752 1.651 -19.777 1.00 0.00 H new ATOM 0 HH22 ARG A 113 11.239 0.588 -21.092 1.00 0.00 H new ATOM 424 N GLU A 114 5.969 3.612 -14.136 1.00 0.00 N ATOM 425 CA GLU A 114 4.977 4.628 -14.469 1.00 0.00 C ATOM 426 C GLU A 114 4.177 5.034 -13.232 1.00 0.00 C ATOM 427 O GLU A 114 4.193 4.338 -12.217 1.00 0.00 O ATOM 428 CB GLU A 114 4.033 4.111 -15.558 1.00 0.00 C ATOM 429 CG GLU A 114 4.273 4.743 -16.920 1.00 0.00 C ATOM 430 CD GLU A 114 4.902 3.779 -17.908 1.00 0.00 C ATOM 431 OE1 GLU A 114 5.937 3.170 -17.567 1.00 0.00 O ATOM 432 OE2 GLU A 114 4.359 3.635 -19.024 1.00 0.00 O ATOM 0 H GLU A 114 5.625 2.871 -13.525 1.00 0.00 H new ATOM 0 HA GLU A 114 5.503 5.507 -14.842 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.147 3.030 -15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.003 4.300 -15.255 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.326 5.102 -17.322 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.920 5.612 -16.804 1.00 0.00 H new ATOM 439 N PRO A 115 3.465 6.172 -13.302 1.00 0.00 N ATOM 440 CA PRO A 115 2.657 6.668 -12.182 1.00 0.00 C ATOM 441 C PRO A 115 1.701 5.609 -11.647 1.00 0.00 C ATOM 442 O PRO A 115 1.396 4.630 -12.328 1.00 0.00 O ATOM 443 CB PRO A 115 1.877 7.833 -12.795 1.00 0.00 C ATOM 444 CG PRO A 115 2.714 8.293 -13.937 1.00 0.00 C ATOM 445 CD PRO A 115 3.392 7.063 -14.475 1.00 0.00 C ATOM 0 HA PRO A 115 3.273 6.953 -11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 115 0.890 7.515 -13.131 1.00 0.00 H new ATOM 0 HB3 PRO A 115 1.724 8.632 -12.069 1.00 0.00 H new ATOM 0 HG2 PRO A 115 2.101 8.768 -14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.446 9.032 -13.611 1.00 0.00 H new ATOM 0 HD2 PRO A 115 2.821 6.612 -15.287 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.382 7.290 -14.869 1.00 0.00 H new ATOM 453 N VAL A 116 1.228 5.812 -10.420 1.00 0.00 N ATOM 454 CA VAL A 116 0.305 4.873 -9.794 1.00 0.00 C ATOM 455 C VAL A 116 -1.128 5.128 -10.246 1.00 0.00 C ATOM 456 O VAL A 116 -1.513 6.265 -10.516 1.00 0.00 O ATOM 457 CB VAL A 116 0.370 4.962 -8.257 1.00 0.00 C ATOM 458 CG1 VAL A 116 -0.454 3.852 -7.622 1.00 0.00 C ATOM 459 CG2 VAL A 116 1.814 4.904 -7.780 1.00 0.00 C ATOM 0 H VAL A 116 1.469 6.617 -9.842 1.00 0.00 H new ATOM 0 HA VAL A 116 0.610 3.874 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 116 -0.053 5.918 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.396 3.931 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.493 3.944 -7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.064 2.884 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.841 4.968 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.265 3.965 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.372 5.738 -8.206 1.00 0.00 H new ATOM 469 N THR A 117 -1.916 4.060 -10.328 1.00 0.00 N ATOM 470 CA THR A 117 -3.308 4.167 -10.749 1.00 0.00 C ATOM 471 C THR A 117 -4.177 4.717 -9.622 1.00 0.00 C ATOM 472 O THR A 117 -3.873 4.531 -8.443 1.00 0.00 O ATOM 473 CB THR A 117 -3.834 2.801 -11.193 1.00 0.00 C ATOM 474 OG1 THR A 117 -3.549 1.813 -10.219 1.00 0.00 O ATOM 475 CG2 THR A 117 -3.247 2.333 -12.507 1.00 0.00 C ATOM 0 H THR A 117 -1.614 3.111 -10.108 1.00 0.00 H new ATOM 0 HA THR A 117 -3.355 4.859 -11.590 1.00 0.00 H new ATOM 0 HB THR A 117 -4.909 2.932 -11.319 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.895 0.947 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.662 1.358 -12.764 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.492 3.050 -13.291 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.164 2.253 -12.414 1.00 0.00 H new ATOM 483 N THR A 118 -5.257 5.395 -9.993 1.00 0.00 N ATOM 484 CA THR A 118 -6.171 5.974 -9.014 1.00 0.00 C ATOM 485 C THR A 118 -6.924 4.882 -8.258 1.00 0.00 C ATOM 486 O THR A 118 -7.328 5.074 -7.111 1.00 0.00 O ATOM 487 CB THR A 118 -7.163 6.912 -9.702 1.00 0.00 C ATOM 488 OG1 THR A 118 -8.089 7.436 -8.767 1.00 0.00 O ATOM 489 CG2 THR A 118 -7.955 6.241 -10.804 1.00 0.00 C ATOM 0 H THR A 118 -5.522 5.558 -10.965 1.00 0.00 H new ATOM 0 HA THR A 118 -5.580 6.545 -8.297 1.00 0.00 H new ATOM 0 HB THR A 118 -6.555 7.703 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.714 8.035 -9.226 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.640 6.962 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.272 5.868 -11.567 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.524 5.409 -10.389 1.00 0.00 H new ATOM 497 N GLU A 119 -7.111 3.737 -8.908 1.00 0.00 N ATOM 498 CA GLU A 119 -7.816 2.617 -8.296 1.00 0.00 C ATOM 499 C GLU A 119 -7.146 2.198 -6.990 1.00 0.00 C ATOM 500 O GLU A 119 -7.813 2.010 -5.972 1.00 0.00 O ATOM 501 CB GLU A 119 -7.863 1.430 -9.260 1.00 0.00 C ATOM 502 CG GLU A 119 -6.489 0.926 -9.673 1.00 0.00 C ATOM 503 CD GLU A 119 -6.545 -0.012 -10.863 1.00 0.00 C ATOM 504 OE1 GLU A 119 -7.441 0.165 -11.716 1.00 0.00 O ATOM 505 OE2 GLU A 119 -5.695 -0.923 -10.942 1.00 0.00 O ATOM 0 H GLU A 119 -6.784 3.561 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.833 2.939 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.414 0.614 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.418 1.719 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.852 1.777 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.027 0.411 -8.831 1.00 0.00 H new ATOM 512 N GLU A 120 -5.825 2.059 -7.026 1.00 0.00 N ATOM 513 CA GLU A 120 -5.065 1.666 -5.845 1.00 0.00 C ATOM 514 C GLU A 120 -5.182 2.721 -4.749 1.00 0.00 C ATOM 515 O GLU A 120 -5.260 2.394 -3.565 1.00 0.00 O ATOM 516 CB GLU A 120 -3.594 1.453 -6.208 1.00 0.00 C ATOM 517 CG GLU A 120 -3.330 0.146 -6.938 1.00 0.00 C ATOM 518 CD GLU A 120 -3.568 -1.068 -6.062 1.00 0.00 C ATOM 519 OE1 GLU A 120 -4.747 -1.390 -5.801 1.00 0.00 O ATOM 520 OE2 GLU A 120 -2.577 -1.696 -5.636 1.00 0.00 O ATOM 0 H GLU A 120 -5.258 2.213 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.479 0.730 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.259 2.282 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.996 1.478 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.973 0.088 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.300 0.135 -7.296 1.00 0.00 H new ATOM 527 N LEU A 121 -5.190 3.986 -5.153 1.00 0.00 N ATOM 528 CA LEU A 121 -5.296 5.091 -4.208 1.00 0.00 C ATOM 529 C LEU A 121 -6.665 5.110 -3.537 1.00 0.00 C ATOM 530 O LEU A 121 -6.766 5.185 -2.312 1.00 0.00 O ATOM 531 CB LEU A 121 -5.045 6.422 -4.919 1.00 0.00 C ATOM 532 CG LEU A 121 -3.572 6.814 -5.056 1.00 0.00 C ATOM 533 CD1 LEU A 121 -3.333 7.539 -6.371 1.00 0.00 C ATOM 534 CD2 LEU A 121 -3.141 7.679 -3.882 1.00 0.00 C ATOM 0 H LEU A 121 -5.124 4.272 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.539 4.948 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.487 6.374 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.566 7.211 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.971 5.905 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.280 7.810 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.604 6.886 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.944 8.441 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.091 7.949 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.747 8.584 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.275 7.125 -2.953 1.00 0.00 H new ATOM 546 N ALA A 122 -7.718 5.043 -4.346 1.00 0.00 N ATOM 547 CA ALA A 122 -9.082 5.053 -3.830 1.00 0.00 C ATOM 548 C ALA A 122 -9.325 3.874 -2.893 1.00 0.00 C ATOM 549 O ALA A 122 -10.095 3.977 -1.939 1.00 0.00 O ATOM 550 CB ALA A 122 -10.081 5.033 -4.977 1.00 0.00 C ATOM 0 H ALA A 122 -7.652 4.981 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.220 5.971 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.095 5.041 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.932 5.912 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.933 4.132 -5.573 1.00 0.00 H new ATOM 556 N SER A 123 -8.664 2.756 -3.173 1.00 0.00 N ATOM 557 CA SER A 123 -8.810 1.558 -2.354 1.00 0.00 C ATOM 558 C SER A 123 -8.154 1.749 -0.991 1.00 0.00 C ATOM 559 O SER A 123 -8.699 1.338 0.035 1.00 0.00 O ATOM 560 CB SER A 123 -8.195 0.352 -3.065 1.00 0.00 C ATOM 561 OG SER A 123 -7.087 0.736 -3.860 1.00 0.00 O ATOM 0 H SER A 123 -8.023 2.654 -3.960 1.00 0.00 H new ATOM 0 HA SER A 123 -9.874 1.378 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.879 -0.386 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.947 -0.126 -3.692 1.00 0.00 H new ATOM 0 HG SER A 123 -6.529 1.367 -3.360 1.00 0.00 H new ATOM 567 N PHE A 124 -6.981 2.374 -0.987 1.00 0.00 N ATOM 568 CA PHE A 124 -6.250 2.619 0.251 1.00 0.00 C ATOM 569 C PHE A 124 -7.036 3.545 1.173 1.00 0.00 C ATOM 570 O PHE A 124 -7.051 3.361 2.390 1.00 0.00 O ATOM 571 CB PHE A 124 -4.880 3.228 -0.055 1.00 0.00 C ATOM 572 CG PHE A 124 -3.841 2.926 0.986 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.674 3.761 2.079 1.00 0.00 C ATOM 574 CD2 PHE A 124 -3.032 1.808 0.872 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.718 3.487 3.038 1.00 0.00 C ATOM 576 CE2 PHE A 124 -2.075 1.528 1.828 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.917 2.368 2.913 1.00 0.00 C ATOM 0 H PHE A 124 -6.517 2.720 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.112 1.664 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.534 2.857 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.985 4.309 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.298 4.636 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -3.151 1.147 0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.597 4.147 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -1.451 0.653 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 124 -1.169 2.151 3.662 1.00 0.00 H new ATOM 587 N ILE A 125 -7.689 4.543 0.585 1.00 0.00 N ATOM 588 CA ILE A 125 -8.477 5.499 1.354 1.00 0.00 C ATOM 589 C ILE A 125 -9.735 4.845 1.917 1.00 0.00 C ATOM 590 O ILE A 125 -10.142 5.127 3.044 1.00 0.00 O ATOM 591 CB ILE A 125 -8.881 6.714 0.496 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.652 7.314 -0.188 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.581 7.761 1.352 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.986 8.158 -1.399 1.00 0.00 C ATOM 0 H ILE A 125 -7.688 4.710 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.848 5.840 2.177 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.576 6.380 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.108 7.925 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.984 6.507 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.859 8.612 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.477 7.328 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.908 8.094 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.067 8.551 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.503 7.546 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.629 8.986 -1.099 1.00 0.00 H new ATOM 606 N ALA A 126 -10.347 3.970 1.126 1.00 0.00 N ATOM 607 CA ALA A 126 -11.558 3.277 1.548 1.00 0.00 C ATOM 608 C ALA A 126 -11.302 2.433 2.791 1.00 0.00 C ATOM 609 O ALA A 126 -12.091 2.448 3.736 1.00 0.00 O ATOM 610 CB ALA A 126 -12.088 2.406 0.417 1.00 0.00 C ATOM 0 H ALA A 126 -10.024 3.724 0.190 1.00 0.00 H new ATOM 0 HA ALA A 126 -12.308 4.027 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.993 1.894 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -12.318 3.031 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -11.334 1.669 0.141 1.00 0.00 H new ATOM 616 N TYR A 127 -10.194 1.700 2.784 1.00 0.00 N ATOM 617 CA TYR A 127 -9.833 0.850 3.912 1.00 0.00 C ATOM 618 C TYR A 127 -9.261 1.681 5.057 1.00 0.00 C ATOM 619 O TYR A 127 -9.478 1.373 6.230 1.00 0.00 O ATOM 620 CB TYR A 127 -8.818 -0.209 3.476 1.00 0.00 C ATOM 621 CG TYR A 127 -9.129 -1.595 3.997 1.00 0.00 C ATOM 622 CD1 TYR A 127 -8.762 -1.972 5.282 1.00 0.00 C ATOM 623 CD2 TYR A 127 -9.789 -2.524 3.203 1.00 0.00 C ATOM 624 CE1 TYR A 127 -9.045 -3.237 5.762 1.00 0.00 C ATOM 625 CE2 TYR A 127 -10.074 -3.791 3.676 1.00 0.00 C ATOM 626 CZ TYR A 127 -9.701 -4.142 4.955 1.00 0.00 C ATOM 627 OH TYR A 127 -9.983 -5.403 5.430 1.00 0.00 O ATOM 0 H TYR A 127 -9.530 1.678 2.010 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.736 0.352 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.781 -0.239 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.827 0.086 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.247 -1.266 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -10.084 -2.252 2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.754 -3.515 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -10.587 -4.503 3.046 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.449 -5.917 4.738 1.00 0.00 H new ATOM 637 N TRP A 128 -8.532 2.736 4.710 1.00 0.00 N ATOM 638 CA TRP A 128 -7.930 3.612 5.708 1.00 0.00 C ATOM 639 C TRP A 128 -9.005 4.262 6.575 1.00 0.00 C ATOM 640 O TRP A 128 -8.899 4.283 7.802 1.00 0.00 O ATOM 641 CB TRP A 128 -7.077 4.686 5.022 1.00 0.00 C ATOM 642 CG TRP A 128 -6.624 5.783 5.940 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.579 7.118 5.657 1.00 0.00 C ATOM 644 CD2 TRP A 128 -6.151 5.643 7.285 1.00 0.00 C ATOM 645 NE1 TRP A 128 -6.110 7.816 6.742 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.839 6.933 7.754 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.962 4.553 8.141 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.350 7.162 9.038 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.475 4.782 9.414 1.00 0.00 C ATOM 650 CH2 TRP A 128 -5.174 6.077 9.853 1.00 0.00 C ATOM 0 H TRP A 128 -8.344 3.005 3.744 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.289 3.011 6.353 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -6.201 4.212 4.579 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.650 5.124 4.205 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.870 7.561 4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.984 8.827 6.787 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -6.193 3.550 7.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.118 8.160 9.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.324 3.947 10.082 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.796 6.222 10.854 1.00 0.00 H new ATOM 661 N GLN A 129 -10.040 4.791 5.930 1.00 0.00 N ATOM 662 CA GLN A 129 -11.132 5.441 6.644 1.00 0.00 C ATOM 663 C GLN A 129 -12.012 4.411 7.346 1.00 0.00 C ATOM 664 O GLN A 129 -12.487 4.641 8.458 1.00 0.00 O ATOM 665 CB GLN A 129 -11.975 6.277 5.678 1.00 0.00 C ATOM 666 CG GLN A 129 -12.963 7.197 6.375 1.00 0.00 C ATOM 667 CD GLN A 129 -12.285 8.372 7.052 1.00 0.00 C ATOM 668 OE1 GLN A 129 -11.128 8.285 7.462 1.00 0.00 O ATOM 669 NE2 GLN A 129 -13.005 9.481 7.173 1.00 0.00 N ATOM 0 H GLN A 129 -10.145 4.782 4.915 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.700 6.098 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.311 6.876 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.521 5.608 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.684 7.568 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -13.523 6.628 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -13.961 9.510 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -12.602 10.304 7.620 1.00 0.00 H new ATOM 678 N ALA A 130 -12.226 3.277 6.687 1.00 0.00 N ATOM 679 CA ALA A 130 -13.048 2.212 7.249 1.00 0.00 C ATOM 680 C ALA A 130 -12.372 1.576 8.459 1.00 0.00 C ATOM 681 O ALA A 130 -13.040 1.107 9.380 1.00 0.00 O ATOM 682 CB ALA A 130 -13.341 1.158 6.192 1.00 0.00 C ATOM 0 H ALA A 130 -11.842 3.072 5.764 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.989 2.651 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.955 0.369 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.874 1.616 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -12.404 0.732 5.833 1.00 0.00 H new ATOM 688 N GLU A 131 -11.043 1.562 8.449 1.00 0.00 N ATOM 689 CA GLU A 131 -10.277 0.984 9.546 1.00 0.00 C ATOM 690 C GLU A 131 -10.520 1.749 10.843 1.00 0.00 C ATOM 691 O GLU A 131 -10.811 1.156 11.881 1.00 0.00 O ATOM 692 CB GLU A 131 -8.784 0.986 9.210 1.00 0.00 C ATOM 693 CG GLU A 131 -8.360 -0.166 8.314 1.00 0.00 C ATOM 694 CD GLU A 131 -7.715 -1.300 9.087 1.00 0.00 C ATOM 695 OE1 GLU A 131 -6.617 -1.089 9.644 1.00 0.00 O ATOM 696 OE2 GLU A 131 -8.308 -2.398 9.136 1.00 0.00 O ATOM 0 H GLU A 131 -10.475 1.944 7.693 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.609 -0.045 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.531 1.927 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.212 0.944 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.231 -0.545 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.660 0.201 7.563 1.00 0.00 H new ATOM 703 N GLY A 132 -10.398 3.071 10.775 1.00 0.00 N ATOM 704 CA GLY A 132 -10.608 3.897 11.950 1.00 0.00 C ATOM 705 C GLY A 132 -9.527 3.704 12.997 1.00 0.00 C ATOM 706 O GLY A 132 -9.819 3.603 14.187 1.00 0.00 O ATOM 0 H GLY A 132 -10.158 3.585 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.638 4.945 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.578 3.662 12.387 1.00 0.00 H new ATOM 710 N LYS A 133 -8.277 3.652 12.550 1.00 0.00 N ATOM 711 CA LYS A 133 -7.149 3.470 13.457 1.00 0.00 C ATOM 712 C LYS A 133 -6.028 4.452 13.130 1.00 0.00 C ATOM 713 O LYS A 133 -6.228 5.416 12.392 1.00 0.00 O ATOM 714 CB LYS A 133 -6.630 2.033 13.376 1.00 0.00 C ATOM 715 CG LYS A 133 -7.733 0.987 13.381 1.00 0.00 C ATOM 716 CD LYS A 133 -7.395 -0.178 14.298 1.00 0.00 C ATOM 717 CE LYS A 133 -6.726 -1.313 13.539 1.00 0.00 C ATOM 718 NZ LYS A 133 -7.374 -2.624 13.815 1.00 0.00 N ATOM 0 H LYS A 133 -8.019 3.733 11.566 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.493 3.665 14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -6.038 1.920 12.468 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.962 1.849 14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.668 1.445 13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.891 0.619 12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -6.736 0.165 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -8.305 -0.544 14.773 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -6.765 -1.107 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -5.673 -1.363 13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -6.888 -3.371 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.314 -2.833 14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -8.373 -2.585 13.528 1.00 0.00 H new ATOM 732 N VAL A 134 -4.846 4.200 13.685 1.00 0.00 N ATOM 733 CA VAL A 134 -3.694 5.060 13.452 1.00 0.00 C ATOM 734 C VAL A 134 -2.490 4.252 12.978 1.00 0.00 C ATOM 735 O VAL A 134 -2.340 3.081 13.326 1.00 0.00 O ATOM 736 CB VAL A 134 -3.306 5.838 14.723 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.247 6.881 14.409 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.533 6.484 15.349 1.00 0.00 C ATOM 0 H VAL A 134 -4.663 3.407 14.299 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.982 5.768 12.675 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.887 5.135 15.443 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -1.986 7.420 15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.359 6.390 14.011 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.635 7.583 13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.239 7.029 16.246 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.984 7.174 14.636 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.255 5.712 15.614 1.00 0.00 H new ATOM 748 N PHE A 135 -1.634 4.886 12.184 1.00 0.00 N ATOM 749 CA PHE A 135 -0.443 4.226 11.663 1.00 0.00 C ATOM 750 C PHE A 135 0.800 5.078 11.898 1.00 0.00 C ATOM 751 O PHE A 135 0.716 6.302 12.000 1.00 0.00 O ATOM 752 CB PHE A 135 -0.602 3.940 10.167 1.00 0.00 C ATOM 753 CG PHE A 135 -1.808 3.107 9.835 1.00 0.00 C ATOM 754 CD1 PHE A 135 -2.185 2.049 10.648 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.565 3.381 8.707 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.293 1.282 10.342 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.674 2.617 8.395 1.00 0.00 C ATOM 758 CZ PHE A 135 -4.038 1.566 9.214 1.00 0.00 C ATOM 0 H PHE A 135 -1.743 5.856 11.887 1.00 0.00 H new ATOM 0 HA PHE A 135 -0.322 3.283 12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -0.666 4.886 9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.291 3.430 9.807 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.606 1.822 11.531 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -2.285 4.202 8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.576 0.461 10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -4.255 2.841 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.904 0.967 8.973 1.00 0.00 H new ATOM 768 N HIS A 136 1.952 4.421 11.982 1.00 0.00 N ATOM 769 CA HIS A 136 3.215 5.117 12.204 1.00 0.00 C ATOM 770 C HIS A 136 3.830 5.561 10.882 1.00 0.00 C ATOM 771 O HIS A 136 3.372 5.167 9.809 1.00 0.00 O ATOM 772 CB HIS A 136 4.193 4.212 12.958 1.00 0.00 C ATOM 773 CG HIS A 136 3.658 3.710 14.262 1.00 0.00 C ATOM 774 ND1 HIS A 136 4.430 3.603 15.400 1.00 0.00 N ATOM 775 CD2 HIS A 136 2.420 3.285 14.610 1.00 0.00 C ATOM 776 CE1 HIS A 136 3.690 3.135 16.390 1.00 0.00 C ATOM 777 NE2 HIS A 136 2.468 2.934 15.936 1.00 0.00 N ATOM 0 H HIS A 136 2.038 3.408 11.900 1.00 0.00 H new ATOM 0 HA HIS A 136 3.013 6.003 12.805 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.448 3.361 12.327 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.117 4.761 13.141 1.00 0.00 H new ATOM 0 HD2 HIS A 136 1.556 3.232 13.964 1.00 0.00 H new ATOM 0 HE1 HIS A 136 4.028 2.949 17.399 1.00 0.00 H new ATOM 0 HE2 HIS A 136 1.685 2.575 16.482 1.00 0.00 H new ATOM 786 N HIS A 137 4.872 6.380 10.966 1.00 0.00 N ATOM 787 CA HIS A 137 5.552 6.877 9.776 1.00 0.00 C ATOM 788 C HIS A 137 6.117 5.724 8.953 1.00 0.00 C ATOM 789 O HIS A 137 5.697 5.493 7.819 1.00 0.00 O ATOM 790 CB HIS A 137 6.677 7.837 10.169 1.00 0.00 C ATOM 791 CG HIS A 137 6.196 9.065 10.878 1.00 0.00 C ATOM 792 ND1 HIS A 137 5.579 10.115 10.229 1.00 0.00 N ATOM 793 CD2 HIS A 137 6.246 9.411 12.186 1.00 0.00 C ATOM 794 CE1 HIS A 137 5.270 11.052 11.109 1.00 0.00 C ATOM 795 NE2 HIS A 137 5.664 10.649 12.303 1.00 0.00 N ATOM 0 H HIS A 137 5.264 6.714 11.846 1.00 0.00 H new ATOM 0 HA HIS A 137 4.823 7.412 9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.385 7.311 10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 137 7.220 8.135 9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.666 8.822 12.988 1.00 0.00 H new ATOM 0 HE1 HIS A 137 4.779 11.988 10.889 1.00 0.00 H new ATOM 0 HE2 HIS A 137 5.554 11.172 13.171 1.00 0.00 H new ATOM 804 N VAL A 138 7.068 4.999 9.535 1.00 0.00 N ATOM 805 CA VAL A 138 7.691 3.867 8.859 1.00 0.00 C ATOM 806 C VAL A 138 6.644 2.866 8.381 1.00 0.00 C ATOM 807 O VAL A 138 6.788 2.261 7.319 1.00 0.00 O ATOM 808 CB VAL A 138 8.692 3.144 9.782 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.447 2.069 9.015 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.657 4.139 10.410 1.00 0.00 C ATOM 0 H VAL A 138 7.424 5.176 10.474 1.00 0.00 H new ATOM 0 HA VAL A 138 8.225 4.268 7.998 1.00 0.00 H new ATOM 0 HB VAL A 138 8.133 2.661 10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 138 10.149 1.570 9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.740 1.339 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 138 9.994 2.527 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.355 3.609 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.210 4.655 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 138 9.098 4.867 10.998 1.00 0.00 H new ATOM 820 N GLN A 139 5.589 2.700 9.171 1.00 0.00 N ATOM 821 CA GLN A 139 4.516 1.775 8.827 1.00 0.00 C ATOM 822 C GLN A 139 3.813 2.216 7.548 1.00 0.00 C ATOM 823 O GLN A 139 3.392 1.387 6.742 1.00 0.00 O ATOM 824 CB GLN A 139 3.506 1.682 9.972 1.00 0.00 C ATOM 825 CG GLN A 139 2.917 0.292 10.150 1.00 0.00 C ATOM 826 CD GLN A 139 3.971 -0.752 10.466 1.00 0.00 C ATOM 827 OE1 GLN A 139 4.025 -1.806 9.833 1.00 0.00 O ATOM 828 NE2 GLN A 139 4.816 -0.461 11.448 1.00 0.00 N ATOM 0 H GLN A 139 5.454 3.194 10.053 1.00 0.00 H new ATOM 0 HA GLN A 139 4.955 0.791 8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 139 3.992 1.984 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.697 2.390 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 139 2.180 0.314 10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 139 2.389 0.006 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 139 4.734 0.426 11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 139 5.547 -1.124 11.705 1.00 0.00 H new ATOM 837 N TRP A 140 3.693 3.526 7.371 1.00 0.00 N ATOM 838 CA TRP A 140 3.043 4.081 6.190 1.00 0.00 C ATOM 839 C TRP A 140 3.897 3.863 4.945 1.00 0.00 C ATOM 840 O TRP A 140 3.380 3.556 3.872 1.00 0.00 O ATOM 841 CB TRP A 140 2.778 5.575 6.383 1.00 0.00 C ATOM 842 CG TRP A 140 1.552 6.057 5.670 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.271 6.040 6.140 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.491 6.624 4.357 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.583 6.563 5.200 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.142 6.929 4.096 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.447 6.905 3.377 1.00 0.00 C ATOM 848 CZ2 TRP A 140 -0.274 7.501 2.897 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.033 7.472 2.185 1.00 0.00 C ATOM 850 CH2 TRP A 140 0.683 7.765 1.954 1.00 0.00 C ATOM 0 H TRP A 140 4.037 4.224 8.030 1.00 0.00 H new ATOM 0 HA TRP A 140 2.093 3.564 6.053 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.676 5.784 7.448 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.641 6.139 6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -0.028 5.669 7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.593 6.663 5.306 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.490 6.683 3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.314 7.728 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.763 7.692 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.391 8.208 1.013 1.00 0.00 H new ATOM 861 N GLN A 141 5.206 4.028 5.097 1.00 0.00 N ATOM 862 CA GLN A 141 6.133 3.852 3.984 1.00 0.00 C ATOM 863 C GLN A 141 6.224 2.387 3.572 1.00 0.00 C ATOM 864 O GLN A 141 6.350 2.071 2.389 1.00 0.00 O ATOM 865 CB GLN A 141 7.522 4.372 4.359 1.00 0.00 C ATOM 866 CG GLN A 141 7.499 5.692 5.114 1.00 0.00 C ATOM 867 CD GLN A 141 8.878 6.307 5.252 1.00 0.00 C ATOM 868 OE1 GLN A 141 9.842 5.840 4.645 1.00 0.00 O ATOM 869 NE2 GLN A 141 8.978 7.361 6.053 1.00 0.00 N ATOM 0 H GLN A 141 5.650 4.283 5.979 1.00 0.00 H new ATOM 0 HA GLN A 141 5.752 4.425 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.028 3.624 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.112 4.494 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 141 6.843 6.392 4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.075 5.532 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.152 7.714 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 141 9.881 7.817 6.185 1.00 0.00 H new ATOM 878 N GLN A 142 6.170 1.495 4.556 1.00 0.00 N ATOM 879 CA GLN A 142 6.256 0.062 4.294 1.00 0.00 C ATOM 880 C GLN A 142 4.956 -0.475 3.704 1.00 0.00 C ATOM 881 O GLN A 142 4.966 -1.170 2.687 1.00 0.00 O ATOM 882 CB GLN A 142 6.592 -0.691 5.582 1.00 0.00 C ATOM 883 CG GLN A 142 8.001 -0.432 6.091 1.00 0.00 C ATOM 884 CD GLN A 142 8.673 -1.687 6.611 1.00 0.00 C ATOM 885 OE1 GLN A 142 9.780 -2.031 6.195 1.00 0.00 O ATOM 886 NE2 GLN A 142 8.006 -2.380 7.527 1.00 0.00 N ATOM 0 H GLN A 142 6.067 1.738 5.541 1.00 0.00 H new ATOM 0 HA GLN A 142 7.050 -0.096 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 142 5.878 -0.407 6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 142 6.468 -1.760 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.602 -0.009 5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 142 7.965 0.312 6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 142 7.091 -2.059 7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 142 8.409 -3.234 7.914 1.00 0.00 H new ATOM 895 N LYS A 143 3.838 -0.158 4.348 1.00 0.00 N ATOM 896 CA LYS A 143 2.531 -0.619 3.887 1.00 0.00 C ATOM 897 C LYS A 143 2.261 -0.176 2.452 1.00 0.00 C ATOM 898 O LYS A 143 1.954 -0.998 1.588 1.00 0.00 O ATOM 899 CB LYS A 143 1.428 -0.096 4.809 1.00 0.00 C ATOM 900 CG LYS A 143 0.281 -1.076 4.998 1.00 0.00 C ATOM 901 CD LYS A 143 -1.062 -0.364 5.027 1.00 0.00 C ATOM 902 CE LYS A 143 -2.042 -1.058 5.960 1.00 0.00 C ATOM 903 NZ LYS A 143 -3.386 -1.215 5.338 1.00 0.00 N ATOM 0 H LYS A 143 3.809 0.416 5.191 1.00 0.00 H new ATOM 0 HA LYS A 143 2.535 -1.709 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.859 0.138 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 143 1.036 0.836 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 143 0.289 -1.807 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.422 -1.627 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -0.921 0.668 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -1.479 -0.330 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -1.651 -2.039 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -2.134 -0.484 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.024 -1.692 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -3.770 -0.278 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -3.303 -1.784 4.472 1.00 0.00 H new ATOM 917 N LEU A 144 2.371 1.125 2.204 1.00 0.00 N ATOM 918 CA LEU A 144 2.131 1.669 0.872 1.00 0.00 C ATOM 919 C LEU A 144 3.132 1.112 -0.137 1.00 0.00 C ATOM 920 O LEU A 144 2.751 0.652 -1.213 1.00 0.00 O ATOM 921 CB LEU A 144 2.207 3.198 0.901 1.00 0.00 C ATOM 922 CG LEU A 144 0.995 3.914 0.301 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.013 4.308 1.393 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.434 5.137 -0.491 1.00 0.00 C ATOM 0 H LEU A 144 2.624 1.821 2.906 1.00 0.00 H new ATOM 0 HA LEU A 144 1.131 1.369 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.327 3.522 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.101 3.513 0.362 1.00 0.00 H new ATOM 0 HG LEU A 144 0.493 3.227 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.842 4.816 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -0.328 3.414 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 144 0.504 4.977 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.558 5.633 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 144 1.961 5.827 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 144 2.097 4.828 -1.299 1.00 0.00 H new ATOM 936 N ALA A 145 4.413 1.154 0.218 1.00 0.00 N ATOM 937 CA ALA A 145 5.464 0.653 -0.659 1.00 0.00 C ATOM 938 C ALA A 145 5.233 -0.811 -1.016 1.00 0.00 C ATOM 939 O ALA A 145 5.113 -1.164 -2.189 1.00 0.00 O ATOM 940 CB ALA A 145 6.826 0.829 -0.005 1.00 0.00 C ATOM 0 H ALA A 145 4.747 1.529 1.106 1.00 0.00 H new ATOM 0 HA ALA A 145 5.438 1.233 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.601 0.450 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.001 1.887 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.853 0.276 0.934 1.00 0.00 H new ATOM 946 N ARG A 146 5.169 -1.661 0.004 1.00 0.00 N ATOM 947 CA ARG A 146 4.950 -3.087 -0.203 1.00 0.00 C ATOM 948 C ARG A 146 3.609 -3.338 -0.887 1.00 0.00 C ATOM 949 O ARG A 146 3.448 -4.315 -1.618 1.00 0.00 O ATOM 950 CB ARG A 146 5.001 -3.831 1.133 1.00 0.00 C ATOM 951 CG ARG A 146 6.412 -4.148 1.599 1.00 0.00 C ATOM 952 CD ARG A 146 6.926 -5.442 0.987 1.00 0.00 C ATOM 953 NE ARG A 146 8.308 -5.320 0.530 1.00 0.00 N ATOM 954 CZ ARG A 146 9.364 -5.360 1.340 1.00 0.00 C ATOM 955 NH1 ARG A 146 9.199 -5.518 2.647 1.00 0.00 N ATOM 956 NH2 ARG A 146 10.586 -5.242 0.841 1.00 0.00 N ATOM 0 H ARG A 146 5.266 -1.387 0.982 1.00 0.00 H new ATOM 0 HA ARG A 146 5.743 -3.461 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.503 -3.230 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.439 -4.761 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 146 7.078 -3.328 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.428 -4.227 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.857 -6.243 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.290 -5.724 0.148 1.00 0.00 H new ATOM 0 HE ARG A 146 8.474 -5.197 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 146 8.260 -5.609 3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 146 10.011 -5.548 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 146 10.717 -5.121 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 146 11.395 -5.273 1.461 1.00 0.00 H new ATOM 970 N SER A 147 2.651 -2.449 -0.645 1.00 0.00 N ATOM 971 CA SER A 147 1.325 -2.574 -1.239 1.00 0.00 C ATOM 972 C SER A 147 1.388 -2.391 -2.751 1.00 0.00 C ATOM 973 O SER A 147 0.811 -3.173 -3.507 1.00 0.00 O ATOM 974 CB SER A 147 0.371 -1.546 -0.627 1.00 0.00 C ATOM 975 OG SER A 147 -0.880 -1.551 -1.294 1.00 0.00 O ATOM 0 H SER A 147 2.768 -1.635 -0.042 1.00 0.00 H new ATOM 0 HA SER A 147 0.951 -3.576 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.224 -1.766 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.815 -0.552 -0.687 1.00 0.00 H new ATOM 0 HG SER A 147 -1.472 -0.887 -0.883 1.00 0.00 H new ATOM 981 N LEU A 148 2.094 -1.352 -3.187 1.00 0.00 N ATOM 982 CA LEU A 148 2.232 -1.067 -4.609 1.00 0.00 C ATOM 983 C LEU A 148 3.082 -2.132 -5.298 1.00 0.00 C ATOM 984 O LEU A 148 2.919 -2.394 -6.489 1.00 0.00 O ATOM 985 CB LEU A 148 2.860 0.314 -4.816 1.00 0.00 C ATOM 986 CG LEU A 148 2.074 1.478 -4.212 1.00 0.00 C ATOM 987 CD1 LEU A 148 2.937 2.728 -4.150 1.00 0.00 C ATOM 988 CD2 LEU A 148 0.809 1.739 -5.014 1.00 0.00 C ATOM 0 H LEU A 148 2.578 -0.695 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 148 1.237 -1.077 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.861 0.309 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 148 2.974 0.488 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 148 1.786 1.210 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.361 3.546 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.814 2.535 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 148 3.255 3.001 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.262 2.571 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 148 1.074 1.987 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.183 0.847 -5.006 1.00 0.00 H new ATOM 1000 N GLN A 149 3.987 -2.742 -4.539 1.00 0.00 N ATOM 1001 CA GLN A 149 4.860 -3.778 -5.077 1.00 0.00 C ATOM 1002 C GLN A 149 4.085 -5.067 -5.330 1.00 0.00 C ATOM 1003 O GLN A 149 4.050 -5.571 -6.452 1.00 0.00 O ATOM 1004 CB GLN A 149 6.019 -4.048 -4.115 1.00 0.00 C ATOM 1005 CG GLN A 149 7.088 -2.967 -4.131 1.00 0.00 C ATOM 1006 CD GLN A 149 7.915 -2.986 -5.401 1.00 0.00 C ATOM 1007 OE1 GLN A 149 7.410 -2.704 -6.489 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.194 -3.318 -5.269 1.00 0.00 N ATOM 0 H GLN A 149 4.134 -2.537 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 149 5.259 -3.423 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 149 5.625 -4.143 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 149 6.477 -5.004 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 149 6.615 -1.991 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 149 7.745 -3.098 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 149 9.570 -3.544 -4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 149 9.801 -3.347 -6.089 1.00 0.00 H new ATOM 1017 N ILE A 150 3.463 -5.595 -4.281 1.00 0.00 N ATOM 1018 CA ILE A 150 2.689 -6.825 -4.392 1.00 0.00 C ATOM 1019 C ILE A 150 1.524 -6.657 -5.357 1.00 0.00 C ATOM 1020 O ILE A 150 1.074 -7.617 -5.982 1.00 0.00 O ATOM 1021 CB ILE A 150 2.145 -7.275 -3.022 1.00 0.00 C ATOM 1022 CG1 ILE A 150 1.406 -6.122 -2.334 1.00 0.00 C ATOM 1023 CG2 ILE A 150 3.277 -7.789 -2.146 1.00 0.00 C ATOM 1024 CD1 ILE A 150 -0.050 -6.424 -2.053 1.00 0.00 C ATOM 0 H ILE A 150 3.480 -5.190 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 150 3.366 -7.589 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 150 1.437 -8.088 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.908 -5.887 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 150 1.470 -5.233 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.877 -8.103 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.758 -8.637 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 150 4.009 -6.995 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -0.512 -5.566 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -0.566 -6.630 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -0.122 -7.294 -1.400 1.00 0.00 H new ATOM 1036 N GLY A 151 1.043 -5.428 -5.475 1.00 0.00 N ATOM 1037 CA GLY A 151 -0.066 -5.144 -6.367 1.00 0.00 C ATOM 1038 C GLY A 151 0.351 -5.138 -7.824 1.00 0.00 C ATOM 1039 O GLY A 151 -0.381 -5.621 -8.689 1.00 0.00 O ATOM 0 H GLY A 151 1.401 -4.619 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -0.848 -5.889 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.496 -4.176 -6.111 1.00 0.00 H new