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 -123:sc= -1.25 (180deg=-3.74!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.7!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS :FLIP no HD1:sc= -1.63 F(o=-2.2,f=-1.6) USER MOD Single : A 137 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-7.3!) USER MOD Single : A 139 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.37) USER MOD Single : A 141 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 85:sc= 1.21 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.260 7.064 16.867 1.00 0.00 N ATOM 2 CA MET A 88 1.645 7.029 15.514 1.00 0.00 C ATOM 3 C MET A 88 0.898 8.325 15.215 1.00 0.00 C ATOM 4 O MET A 88 0.901 9.254 16.021 1.00 0.00 O ATOM 5 CB MET A 88 0.686 5.839 15.445 1.00 0.00 C ATOM 6 CG MET A 88 1.387 4.490 15.438 1.00 0.00 C ATOM 7 SD MET A 88 0.596 3.287 16.524 1.00 0.00 S ATOM 8 CE MET A 88 0.213 1.980 15.360 1.00 0.00 C ATOM 0 HA MET A 88 2.431 6.922 14.766 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.007 5.881 16.296 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.076 5.927 14.546 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.403 4.099 14.421 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.424 4.623 15.745 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.858 1.776 15.381 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.504 2.290 14.356 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.760 1.077 15.634 1.00 0.00 H new ATOM 20 N PHE A 89 0.258 8.378 14.051 1.00 0.00 N ATOM 21 CA PHE A 89 -0.494 9.559 13.645 1.00 0.00 C ATOM 22 C PHE A 89 -1.506 9.211 12.558 1.00 0.00 C ATOM 23 O PHE A 89 -1.142 8.717 11.491 1.00 0.00 O ATOM 24 CB PHE A 89 0.455 10.651 13.147 1.00 0.00 C ATOM 25 CG PHE A 89 1.323 10.217 12.001 1.00 0.00 C ATOM 26 CD1 PHE A 89 0.893 10.368 10.692 1.00 0.00 C ATOM 27 CD2 PHE A 89 2.570 9.659 12.232 1.00 0.00 C ATOM 28 CE1 PHE A 89 1.690 9.971 9.636 1.00 0.00 C ATOM 29 CE2 PHE A 89 3.372 9.260 11.180 1.00 0.00 C ATOM 30 CZ PHE A 89 2.931 9.416 9.880 1.00 0.00 C ATOM 0 H PHE A 89 0.245 7.616 13.373 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.035 9.931 14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.131 11.517 12.840 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.091 10.972 13.972 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.077 10.801 10.495 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.919 9.534 13.246 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.343 10.094 8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.342 8.827 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.556 9.104 9.056 1.00 0.00 H new ATOM 40 N ALA A 90 -2.779 9.468 12.839 1.00 0.00 N ATOM 41 CA ALA A 90 -3.845 9.180 11.888 1.00 0.00 C ATOM 42 C ALA A 90 -4.081 10.360 10.952 1.00 0.00 C ATOM 43 O ALA A 90 -4.600 11.398 11.364 1.00 0.00 O ATOM 44 CB ALA A 90 -5.127 8.822 12.624 1.00 0.00 C ATOM 0 H ALA A 90 -3.097 9.875 13.718 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.537 8.327 11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.914 8.609 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.957 7.942 13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.430 9.658 13.255 1.00 0.00 H new ATOM 50 N MET A 91 -3.698 10.194 9.691 1.00 0.00 N ATOM 51 CA MET A 91 -3.867 11.246 8.695 1.00 0.00 C ATOM 52 C MET A 91 -5.324 11.348 8.255 1.00 0.00 C ATOM 53 O MET A 91 -6.197 10.672 8.801 1.00 0.00 O ATOM 54 CB MET A 91 -2.972 10.976 7.484 1.00 0.00 C ATOM 55 CG MET A 91 -1.635 11.695 7.543 1.00 0.00 C ATOM 56 SD MET A 91 -0.797 11.737 5.947 1.00 0.00 S ATOM 57 CE MET A 91 -1.620 13.126 5.169 1.00 0.00 C ATOM 0 H MET A 91 -3.268 9.341 9.334 1.00 0.00 H new ATOM 0 HA MET A 91 -3.577 12.194 9.148 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.795 9.903 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.498 11.279 6.579 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.791 12.715 7.894 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.993 11.201 8.273 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.210 13.279 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.688 12.921 5.095 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.463 14.024 5.767 1.00 0.00 H new ATOM 67 N TYR A 92 -5.580 12.194 7.263 1.00 0.00 N ATOM 68 CA TYR A 92 -6.931 12.383 6.746 1.00 0.00 C ATOM 69 C TYR A 92 -7.049 11.816 5.334 1.00 0.00 C ATOM 70 O TYR A 92 -6.042 11.572 4.672 1.00 0.00 O ATOM 71 CB TYR A 92 -7.303 13.869 6.746 1.00 0.00 C ATOM 72 CG TYR A 92 -6.153 14.789 6.396 1.00 0.00 C ATOM 73 CD1 TYR A 92 -5.407 14.592 5.240 1.00 0.00 C ATOM 74 CD2 TYR A 92 -5.815 15.852 7.223 1.00 0.00 C ATOM 75 CE1 TYR A 92 -4.357 15.430 4.919 1.00 0.00 C ATOM 76 CE2 TYR A 92 -4.766 16.695 6.907 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.041 16.479 5.755 1.00 0.00 C ATOM 78 OH TYR A 92 -2.994 17.316 5.438 1.00 0.00 O ATOM 0 H TYR A 92 -4.869 12.760 6.800 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.622 11.848 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.114 14.031 6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.684 14.138 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.652 13.771 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.380 16.023 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.786 15.264 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.516 17.519 7.559 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.904 18.004 6.130 1.00 0.00 H new ATOM 88 N PRO A 93 -8.284 11.592 4.853 1.00 0.00 N ATOM 89 CA PRO A 93 -8.526 11.048 3.518 1.00 0.00 C ATOM 90 C PRO A 93 -8.535 12.123 2.434 1.00 0.00 C ATOM 91 O PRO A 93 -9.313 12.049 1.482 1.00 0.00 O ATOM 92 CB PRO A 93 -9.909 10.422 3.664 1.00 0.00 C ATOM 93 CG PRO A 93 -10.610 11.288 4.658 1.00 0.00 C ATOM 94 CD PRO A 93 -9.546 11.846 5.576 1.00 0.00 C ATOM 0 HA PRO A 93 -7.746 10.353 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.438 10.403 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.843 9.391 4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.150 12.092 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.345 10.713 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.694 12.910 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.557 11.351 6.547 1.00 0.00 H new ATOM 102 N ASP A 94 -7.670 13.122 2.583 1.00 0.00 N ATOM 103 CA ASP A 94 -7.583 14.210 1.614 1.00 0.00 C ATOM 104 C ASP A 94 -6.249 14.187 0.870 1.00 0.00 C ATOM 105 O ASP A 94 -6.118 14.781 -0.201 1.00 0.00 O ATOM 106 CB ASP A 94 -7.768 15.558 2.316 1.00 0.00 C ATOM 107 CG ASP A 94 -9.134 16.162 2.055 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.145 15.522 2.414 1.00 0.00 O ATOM 109 OD2 ASP A 94 -9.193 17.275 1.491 1.00 0.00 O ATOM 0 H ASP A 94 -7.020 13.201 3.365 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.380 14.072 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.630 15.428 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.997 16.250 1.977 1.00 0.00 H new ATOM 114 N TRP A 95 -5.258 13.505 1.442 1.00 0.00 N ATOM 115 CA TRP A 95 -3.938 13.415 0.834 1.00 0.00 C ATOM 116 C TRP A 95 -4.026 12.986 -0.629 1.00 0.00 C ATOM 117 O TRP A 95 -4.738 12.040 -0.968 1.00 0.00 O ATOM 118 CB TRP A 95 -3.068 12.432 1.620 1.00 0.00 C ATOM 119 CG TRP A 95 -3.525 11.009 1.517 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.224 10.303 2.453 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.313 10.116 0.417 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.461 9.027 2.003 1.00 0.00 N ATOM 123 CE2 TRP A 95 -3.912 8.888 0.755 1.00 0.00 C ATOM 124 CE3 TRP A 95 -2.676 10.236 -0.822 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -3.892 7.789 -0.100 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -2.657 9.144 -1.669 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.262 7.935 -1.305 1.00 0.00 C ATOM 0 H TRP A 95 -5.348 13.007 2.328 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.483 14.405 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.041 12.502 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.059 12.727 2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.544 10.691 3.409 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.964 8.301 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.207 11.165 -1.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.357 6.855 0.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.167 9.225 -2.628 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.231 7.101 -1.990 1.00 0.00 H new ATOM 138 N GLN A 96 -3.297 13.689 -1.488 1.00 0.00 N ATOM 139 CA GLN A 96 -3.288 13.386 -2.915 1.00 0.00 C ATOM 140 C GLN A 96 -1.858 13.254 -3.431 1.00 0.00 C ATOM 141 O GLN A 96 -0.921 13.777 -2.827 1.00 0.00 O ATOM 142 CB GLN A 96 -4.024 14.479 -3.693 1.00 0.00 C ATOM 143 CG GLN A 96 -3.642 15.889 -3.271 1.00 0.00 C ATOM 144 CD GLN A 96 -4.786 16.636 -2.614 1.00 0.00 C ATOM 145 OE1 GLN A 96 -5.833 16.059 -2.319 1.00 0.00 O ATOM 146 NE2 GLN A 96 -4.593 17.929 -2.381 1.00 0.00 N ATOM 0 H GLN A 96 -2.703 14.474 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.800 12.435 -3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.817 14.358 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.098 14.347 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.801 15.841 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.305 16.446 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.710 18.368 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.328 18.483 -1.942 1.00 0.00 H new ATOM 155 N PRO A 97 -1.668 12.552 -4.562 1.00 0.00 N ATOM 156 CA PRO A 97 -0.342 12.356 -5.156 1.00 0.00 C ATOM 157 C PRO A 97 0.336 13.678 -5.498 1.00 0.00 C ATOM 158 O PRO A 97 -0.293 14.590 -6.033 1.00 0.00 O ATOM 159 CB PRO A 97 -0.623 11.551 -6.431 1.00 0.00 C ATOM 160 CG PRO A 97 -2.081 11.726 -6.694 1.00 0.00 C ATOM 161 CD PRO A 97 -2.725 11.897 -5.349 1.00 0.00 C ATOM 0 HA PRO A 97 0.338 11.853 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.026 11.917 -7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.371 10.499 -6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.262 12.595 -7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.490 10.861 -7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.625 12.509 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.018 10.940 -4.916 1.00 0.00 H new ATOM 169 N ASP A 98 1.624 13.773 -5.185 1.00 0.00 N ATOM 170 CA ASP A 98 2.389 14.984 -5.458 1.00 0.00 C ATOM 171 C ASP A 98 3.887 14.690 -5.470 1.00 0.00 C ATOM 172 O ASP A 98 4.301 13.531 -5.475 1.00 0.00 O ATOM 173 CB ASP A 98 2.075 16.056 -4.413 1.00 0.00 C ATOM 174 CG ASP A 98 1.978 17.443 -5.018 1.00 0.00 C ATOM 175 OD1 ASP A 98 2.856 17.798 -5.832 1.00 0.00 O ATOM 176 OD2 ASP A 98 1.025 18.174 -4.677 1.00 0.00 O ATOM 0 H ASP A 98 2.160 13.026 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 98 2.102 15.352 -6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.135 15.812 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.850 16.050 -3.647 1.00 0.00 H new ATOM 181 N ALA A 99 4.692 15.747 -5.476 1.00 0.00 N ATOM 182 CA ALA A 99 6.142 15.603 -5.487 1.00 0.00 C ATOM 183 C ALA A 99 6.627 14.828 -4.265 1.00 0.00 C ATOM 184 O ALA A 99 7.590 14.065 -4.342 1.00 0.00 O ATOM 185 CB ALA A 99 6.808 16.969 -5.549 1.00 0.00 C ATOM 0 H ALA A 99 4.364 16.713 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 99 6.419 15.036 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.891 16.846 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.495 17.485 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.516 17.556 -4.678 1.00 0.00 H new ATOM 191 N ASP A 100 5.953 15.031 -3.138 1.00 0.00 N ATOM 192 CA ASP A 100 6.314 14.353 -1.899 1.00 0.00 C ATOM 193 C ASP A 100 6.170 12.841 -2.043 1.00 0.00 C ATOM 194 O ASP A 100 6.932 12.076 -1.454 1.00 0.00 O ATOM 195 CB ASP A 100 5.440 14.854 -0.746 1.00 0.00 C ATOM 196 CG ASP A 100 6.247 15.160 0.500 1.00 0.00 C ATOM 197 OD1 ASP A 100 7.274 15.862 0.386 1.00 0.00 O ATOM 198 OD2 ASP A 100 5.853 14.696 1.592 1.00 0.00 O ATOM 0 H ASP A 100 5.154 15.660 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 100 7.357 14.580 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.908 15.752 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.686 14.102 -0.512 1.00 0.00 H new ATOM 203 N PHE A 101 5.188 12.418 -2.833 1.00 0.00 N ATOM 204 CA PHE A 101 4.945 10.998 -3.056 1.00 0.00 C ATOM 205 C PHE A 101 6.115 10.355 -3.794 1.00 0.00 C ATOM 206 O PHE A 101 6.614 9.305 -3.391 1.00 0.00 O ATOM 207 CB PHE A 101 3.654 10.798 -3.852 1.00 0.00 C ATOM 208 CG PHE A 101 3.167 9.377 -3.858 1.00 0.00 C ATOM 209 CD1 PHE A 101 3.874 8.392 -4.527 1.00 0.00 C ATOM 210 CD2 PHE A 101 2.001 9.028 -3.194 1.00 0.00 C ATOM 211 CE1 PHE A 101 3.428 7.084 -4.533 1.00 0.00 C ATOM 212 CE2 PHE A 101 1.550 7.722 -3.198 1.00 0.00 C ATOM 213 CZ PHE A 101 2.265 6.748 -3.869 1.00 0.00 C ATOM 0 H PHE A 101 4.548 13.038 -3.329 1.00 0.00 H new ATOM 0 HA PHE A 101 4.842 10.516 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.877 11.438 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.817 11.122 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.784 8.649 -5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.439 9.785 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.989 6.325 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.640 7.463 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.915 5.726 -3.874 1.00 0.00 H new ATOM 223 N ILE A 102 6.547 10.993 -4.876 1.00 0.00 N ATOM 224 CA ILE A 102 7.660 10.484 -5.669 1.00 0.00 C ATOM 225 C ILE A 102 8.977 10.608 -4.911 1.00 0.00 C ATOM 226 O ILE A 102 9.838 9.734 -4.998 1.00 0.00 O ATOM 227 CB ILE A 102 7.781 11.230 -7.013 1.00 0.00 C ATOM 228 CG1 ILE A 102 6.423 11.283 -7.716 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.819 10.559 -7.900 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.820 9.918 -7.969 1.00 0.00 C ATOM 0 H ILE A 102 6.144 11.863 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 102 7.454 9.432 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 102 8.107 12.252 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.732 11.870 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.535 11.804 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.893 11.097 -8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.787 10.570 -7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.522 9.528 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.859 10.032 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.491 9.335 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.675 9.402 -7.020 1.00 0.00 H new ATOM 242 N ARG A 103 9.125 11.699 -4.168 1.00 0.00 N ATOM 243 CA ARG A 103 10.336 11.937 -3.393 1.00 0.00 C ATOM 244 C ARG A 103 10.513 10.868 -2.319 1.00 0.00 C ATOM 245 O ARG A 103 11.609 10.341 -2.129 1.00 0.00 O ATOM 246 CB ARG A 103 10.288 13.326 -2.750 1.00 0.00 C ATOM 247 CG ARG A 103 11.340 14.282 -3.290 1.00 0.00 C ATOM 248 CD ARG A 103 12.414 14.576 -2.255 1.00 0.00 C ATOM 249 NE ARG A 103 11.929 15.461 -1.197 1.00 0.00 N ATOM 250 CZ ARG A 103 11.811 16.780 -1.331 1.00 0.00 C ATOM 251 NH1 ARG A 103 12.139 17.369 -2.473 1.00 0.00 N ATOM 252 NH2 ARG A 103 11.362 17.511 -0.320 1.00 0.00 N ATOM 0 H ARG A 103 8.421 12.433 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 103 11.189 11.888 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.300 13.758 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.420 13.224 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.800 13.853 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.863 15.214 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.759 13.640 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.273 15.034 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 103 11.666 15.043 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.484 16.811 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.047 18.380 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.107 17.063 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.271 18.522 -0.422 1.00 0.00 H new ATOM 266 N LEU A 104 9.427 10.553 -1.622 1.00 0.00 N ATOM 267 CA LEU A 104 9.461 9.547 -0.567 1.00 0.00 C ATOM 268 C LEU A 104 9.631 8.149 -1.155 1.00 0.00 C ATOM 269 O LEU A 104 10.402 7.338 -0.642 1.00 0.00 O ATOM 270 CB LEU A 104 8.182 9.610 0.269 1.00 0.00 C ATOM 271 CG LEU A 104 8.202 10.629 1.409 1.00 0.00 C ATOM 272 CD1 LEU A 104 6.829 10.738 2.052 1.00 0.00 C ATOM 273 CD2 LEU A 104 9.250 10.250 2.445 1.00 0.00 C ATOM 0 H LEU A 104 8.512 10.980 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 104 10.316 9.758 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.346 9.843 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.992 8.622 0.689 1.00 0.00 H new ATOM 0 HG LEU A 104 8.465 11.603 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.863 11.468 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.102 11.057 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.536 9.767 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.250 10.986 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.018 9.266 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.233 10.225 1.976 1.00 0.00 H new ATOM 285 N ALA A 105 8.904 7.874 -2.233 1.00 0.00 N ATOM 286 CA ALA A 105 8.974 6.574 -2.890 1.00 0.00 C ATOM 287 C ALA A 105 10.389 6.282 -3.378 1.00 0.00 C ATOM 288 O ALA A 105 10.866 5.150 -3.288 1.00 0.00 O ATOM 289 CB ALA A 105 7.991 6.516 -4.050 1.00 0.00 C ATOM 0 H ALA A 105 8.260 8.534 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 105 8.704 5.810 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.054 5.540 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.979 6.672 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.235 7.294 -4.773 1.00 0.00 H new ATOM 295 N ALA A 106 11.055 7.309 -3.895 1.00 0.00 N ATOM 296 CA ALA A 106 12.415 7.161 -4.397 1.00 0.00 C ATOM 297 C ALA A 106 13.385 6.837 -3.265 1.00 0.00 C ATOM 298 O ALA A 106 14.318 6.053 -3.439 1.00 0.00 O ATOM 299 CB ALA A 106 12.850 8.427 -5.121 1.00 0.00 C ATOM 0 H ALA A 106 10.675 8.252 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 106 12.428 6.329 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.868 8.303 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 106 12.179 8.615 -5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.815 9.271 -4.432 1.00 0.00 H new ATOM 305 N LEU A 107 13.157 7.445 -2.106 1.00 0.00 N ATOM 306 CA LEU A 107 14.005 7.221 -0.944 1.00 0.00 C ATOM 307 C LEU A 107 13.611 5.932 -0.230 1.00 0.00 C ATOM 308 O LEU A 107 14.454 5.248 0.351 1.00 0.00 O ATOM 309 CB LEU A 107 13.909 8.413 0.014 1.00 0.00 C ATOM 310 CG LEU A 107 14.430 8.159 1.429 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.919 7.847 1.403 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.149 9.357 2.324 1.00 0.00 C ATOM 0 H LEU A 107 12.390 8.098 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 107 15.037 7.122 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.463 9.248 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.866 8.723 0.079 1.00 0.00 H new ATOM 0 HG LEU A 107 13.907 7.295 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.271 7.669 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 107 16.094 6.958 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.460 8.690 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 107 14.527 9.158 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.644 10.239 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.074 9.533 2.369 1.00 0.00 H new ATOM 324 N TRP A 108 12.323 5.605 -0.278 1.00 0.00 N ATOM 325 CA TRP A 108 11.815 4.399 0.364 1.00 0.00 C ATOM 326 C TRP A 108 12.217 3.146 -0.415 1.00 0.00 C ATOM 327 O TRP A 108 12.097 2.030 0.089 1.00 0.00 O ATOM 328 CB TRP A 108 10.291 4.467 0.488 1.00 0.00 C ATOM 329 CG TRP A 108 9.812 5.556 1.401 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.578 6.347 2.210 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.456 5.972 1.599 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.781 7.229 2.897 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.475 7.019 2.541 1.00 0.00 C ATOM 334 CE3 TRP A 108 7.228 5.562 1.072 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.313 7.660 2.964 1.00 0.00 C ATOM 336 CZ3 TRP A 108 6.076 6.200 1.493 1.00 0.00 C ATOM 337 CH2 TRP A 108 6.126 7.239 2.431 1.00 0.00 C ATOM 0 H TRP A 108 11.612 6.159 -0.755 1.00 0.00 H new ATOM 0 HA TRP A 108 12.255 4.339 1.359 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.860 4.618 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.921 3.509 0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.653 6.287 2.296 1.00 0.00 H new ATOM 0 HE1 TRP A 108 10.108 7.927 3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 108 7.180 4.761 0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.348 8.461 3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 5.122 5.892 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.208 7.717 2.740 1.00 0.00 H new ATOM 348 N GLY A 109 12.691 3.336 -1.643 1.00 0.00 N ATOM 349 CA GLY A 109 13.100 2.210 -2.461 1.00 0.00 C ATOM 350 C GLY A 109 11.968 1.670 -3.314 1.00 0.00 C ATOM 351 O GLY A 109 11.880 0.466 -3.552 1.00 0.00 O ATOM 0 H GLY A 109 12.799 4.249 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.924 2.514 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.477 1.415 -1.817 1.00 0.00 H new ATOM 355 N VAL A 110 11.099 2.564 -3.773 1.00 0.00 N ATOM 356 CA VAL A 110 9.967 2.173 -4.605 1.00 0.00 C ATOM 357 C VAL A 110 9.820 3.100 -5.807 1.00 0.00 C ATOM 358 O VAL A 110 9.564 4.295 -5.653 1.00 0.00 O ATOM 359 CB VAL A 110 8.652 2.180 -3.803 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.520 1.582 -4.624 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.823 1.428 -2.491 1.00 0.00 C ATOM 0 H VAL A 110 11.157 3.564 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 110 10.167 1.160 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 110 8.395 3.214 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.600 1.596 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.382 2.167 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.766 0.554 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.884 1.443 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.106 0.396 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.602 1.906 -1.897 1.00 0.00 H new ATOM 371 N ALA A 111 9.984 2.542 -7.001 1.00 0.00 N ATOM 372 CA ALA A 111 9.871 3.319 -8.230 1.00 0.00 C ATOM 373 C ALA A 111 8.674 2.866 -9.058 1.00 0.00 C ATOM 374 O ALA A 111 8.487 1.672 -9.297 1.00 0.00 O ATOM 375 CB ALA A 111 11.152 3.207 -9.044 1.00 0.00 C ATOM 0 H ALA A 111 10.196 1.555 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 111 9.716 4.363 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.054 3.792 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.989 3.587 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.331 2.162 -9.299 1.00 0.00 H new ATOM 381 N LEU A 112 7.866 3.826 -9.496 1.00 0.00 N ATOM 382 CA LEU A 112 6.686 3.527 -10.300 1.00 0.00 C ATOM 383 C LEU A 112 7.051 3.401 -11.775 1.00 0.00 C ATOM 384 O LEU A 112 7.696 4.283 -12.344 1.00 0.00 O ATOM 385 CB LEU A 112 5.629 4.616 -10.116 1.00 0.00 C ATOM 386 CG LEU A 112 4.777 4.486 -8.853 1.00 0.00 C ATOM 387 CD1 LEU A 112 4.204 5.837 -8.453 1.00 0.00 C ATOM 388 CD2 LEU A 112 3.660 3.475 -9.067 1.00 0.00 C ATOM 0 H LEU A 112 8.007 4.819 -9.308 1.00 0.00 H new ATOM 0 HA LEU A 112 6.279 2.574 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.127 5.585 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.969 4.610 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 112 5.414 4.131 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.601 5.724 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.019 6.535 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.581 6.222 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.063 3.395 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.025 3.803 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.090 2.502 -9.306 1.00 0.00 H new ATOM 400 N ARG A 113 6.635 2.299 -12.391 1.00 0.00 N ATOM 401 CA ARG A 113 6.917 2.058 -13.801 1.00 0.00 C ATOM 402 C ARG A 113 5.792 2.592 -14.681 1.00 0.00 C ATOM 403 O ARG A 113 6.033 3.108 -15.772 1.00 0.00 O ATOM 404 CB ARG A 113 7.112 0.562 -14.056 1.00 0.00 C ATOM 405 CG ARG A 113 8.522 0.073 -13.763 1.00 0.00 C ATOM 406 CD ARG A 113 8.538 -0.961 -12.649 1.00 0.00 C ATOM 407 NE ARG A 113 8.631 -2.325 -13.168 1.00 0.00 N ATOM 408 CZ ARG A 113 9.763 -2.880 -13.593 1.00 0.00 C ATOM 409 NH1 ARG A 113 10.899 -2.194 -13.563 1.00 0.00 N ATOM 410 NH2 ARG A 113 9.760 -4.124 -14.050 1.00 0.00 N ATOM 0 H ARG A 113 6.101 1.559 -11.935 1.00 0.00 H new ATOM 0 HA ARG A 113 7.836 2.586 -14.056 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.407 0.002 -13.441 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.870 0.345 -15.096 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.953 -0.359 -14.666 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.150 0.919 -13.483 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.382 -0.767 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.633 -0.862 -12.050 1.00 0.00 H new ATOM 0 HE ARG A 113 7.778 -2.883 -13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.907 -1.236 -13.213 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.764 -2.625 -13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.890 -4.656 -14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.628 -4.550 -14.376 1.00 0.00 H new ATOM 424 N GLU A 114 4.559 2.465 -14.197 1.00 0.00 N ATOM 425 CA GLU A 114 3.394 2.934 -14.938 1.00 0.00 C ATOM 426 C GLU A 114 2.642 4.003 -14.148 1.00 0.00 C ATOM 427 O GLU A 114 2.873 4.177 -12.950 1.00 0.00 O ATOM 428 CB GLU A 114 2.461 1.763 -15.253 1.00 0.00 C ATOM 429 CG GLU A 114 2.662 1.182 -16.643 1.00 0.00 C ATOM 430 CD GLU A 114 1.696 0.054 -16.948 1.00 0.00 C ATOM 431 OE1 GLU A 114 1.428 -0.760 -16.040 1.00 0.00 O ATOM 432 OE2 GLU A 114 1.208 -0.015 -18.096 1.00 0.00 O ATOM 0 H GLU A 114 4.342 2.041 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 114 3.740 3.375 -15.873 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.616 0.977 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.428 2.095 -15.153 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.539 1.972 -17.384 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.684 0.815 -16.735 1.00 0.00 H new ATOM 439 N PRO A 115 1.728 4.735 -14.808 1.00 0.00 N ATOM 440 CA PRO A 115 0.942 5.789 -14.157 1.00 0.00 C ATOM 441 C PRO A 115 0.031 5.237 -13.066 1.00 0.00 C ATOM 442 O PRO A 115 -0.482 4.124 -13.175 1.00 0.00 O ATOM 443 CB PRO A 115 0.112 6.383 -15.299 1.00 0.00 C ATOM 444 CG PRO A 115 0.078 5.321 -16.344 1.00 0.00 C ATOM 445 CD PRO A 115 1.388 4.594 -16.234 1.00 0.00 C ATOM 0 HA PRO A 115 1.579 6.519 -13.657 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -0.893 6.640 -14.964 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.564 7.298 -15.681 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -0.760 4.642 -16.184 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -0.047 5.754 -17.337 1.00 0.00 H new ATOM 0 HD2 PRO A 115 1.294 3.548 -16.525 1.00 0.00 H new ATOM 0 HD3 PRO A 115 2.150 5.036 -16.876 1.00 0.00 H new ATOM 453 N VAL A 116 -0.167 6.024 -12.013 1.00 0.00 N ATOM 454 CA VAL A 116 -1.016 5.615 -10.901 1.00 0.00 C ATOM 455 C VAL A 116 -2.483 5.569 -11.314 1.00 0.00 C ATOM 456 O VAL A 116 -2.925 6.348 -12.158 1.00 0.00 O ATOM 457 CB VAL A 116 -0.863 6.564 -9.698 1.00 0.00 C ATOM 458 CG1 VAL A 116 -1.587 6.009 -8.481 1.00 0.00 C ATOM 459 CG2 VAL A 116 0.608 6.802 -9.389 1.00 0.00 C ATOM 0 H VAL A 116 0.250 6.949 -11.907 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.693 4.616 -10.610 1.00 0.00 H new ATOM 0 HB VAL A 116 -1.317 7.521 -9.956 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.467 6.694 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.647 5.896 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.167 5.038 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.696 7.475 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.089 5.852 -9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.094 7.249 -10.256 1.00 0.00 H new ATOM 469 N THR A 117 -3.233 4.652 -10.713 1.00 0.00 N ATOM 470 CA THR A 117 -4.652 4.503 -11.017 1.00 0.00 C ATOM 471 C THR A 117 -5.511 5.046 -9.879 1.00 0.00 C ATOM 472 O THR A 117 -5.101 5.033 -8.718 1.00 0.00 O ATOM 473 CB THR A 117 -4.990 3.033 -11.270 1.00 0.00 C ATOM 474 OG1 THR A 117 -4.669 2.244 -10.139 1.00 0.00 O ATOM 475 CG2 THR A 117 -4.262 2.448 -12.460 1.00 0.00 C ATOM 0 H THR A 117 -2.882 4.000 -10.012 1.00 0.00 H new ATOM 0 HA THR A 117 -4.867 5.078 -11.918 1.00 0.00 H new ATOM 0 HB THR A 117 -6.060 3.013 -11.475 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.894 1.307 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.547 1.403 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.527 3.005 -13.359 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.186 2.514 -12.297 1.00 0.00 H new ATOM 483 N THR A 118 -6.705 5.522 -10.219 1.00 0.00 N ATOM 484 CA THR A 118 -7.621 6.069 -9.226 1.00 0.00 C ATOM 485 C THR A 118 -8.211 4.958 -8.362 1.00 0.00 C ATOM 486 O THR A 118 -8.443 5.145 -7.168 1.00 0.00 O ATOM 487 CB THR A 118 -8.744 6.849 -9.911 1.00 0.00 C ATOM 488 OG1 THR A 118 -9.363 6.061 -10.912 1.00 0.00 O ATOM 489 CG2 THR A 118 -8.270 8.130 -10.563 1.00 0.00 C ATOM 0 H THR A 118 -7.060 5.540 -11.175 1.00 0.00 H new ATOM 0 HA THR A 118 -7.059 6.746 -8.583 1.00 0.00 H new ATOM 0 HB THR A 118 -9.447 7.102 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.080 6.576 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.115 8.635 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.831 8.782 -9.808 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.522 7.897 -11.321 1.00 0.00 H new ATOM 497 N GLU A 119 -8.451 3.804 -8.974 1.00 0.00 N ATOM 498 CA GLU A 119 -9.015 2.663 -8.262 1.00 0.00 C ATOM 499 C GLU A 119 -8.111 2.242 -7.107 1.00 0.00 C ATOM 500 O GLU A 119 -8.587 1.935 -6.014 1.00 0.00 O ATOM 501 CB GLU A 119 -9.220 1.488 -9.220 1.00 0.00 C ATOM 502 CG GLU A 119 -7.975 1.128 -10.015 1.00 0.00 C ATOM 503 CD GLU A 119 -8.282 0.800 -11.463 1.00 0.00 C ATOM 504 OE1 GLU A 119 -9.250 0.050 -11.710 1.00 0.00 O ATOM 505 OE2 GLU A 119 -7.554 1.294 -12.351 1.00 0.00 O ATOM 0 H GLU A 119 -8.264 3.634 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.980 2.962 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.542 0.617 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.026 1.731 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.271 1.959 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.485 0.273 -9.549 1.00 0.00 H new ATOM 512 N GLU A 120 -6.806 2.229 -7.358 1.00 0.00 N ATOM 513 CA GLU A 120 -5.836 1.846 -6.339 1.00 0.00 C ATOM 514 C GLU A 120 -5.853 2.830 -5.174 1.00 0.00 C ATOM 515 O GLU A 120 -5.854 2.429 -4.010 1.00 0.00 O ATOM 516 CB GLU A 120 -4.432 1.776 -6.943 1.00 0.00 C ATOM 517 CG GLU A 120 -3.496 0.836 -6.200 1.00 0.00 C ATOM 518 CD GLU A 120 -2.600 0.048 -7.134 1.00 0.00 C ATOM 519 OE1 GLU A 120 -3.116 -0.844 -7.841 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.381 0.320 -7.159 1.00 0.00 O ATOM 0 H GLU A 120 -6.396 2.479 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.112 0.861 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.508 1.454 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.998 2.776 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.879 1.413 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.085 0.144 -5.597 1.00 0.00 H new ATOM 527 N LEU A 121 -5.866 4.119 -5.496 1.00 0.00 N ATOM 528 CA LEU A 121 -5.884 5.161 -4.477 1.00 0.00 C ATOM 529 C LEU A 121 -7.189 5.130 -3.688 1.00 0.00 C ATOM 530 O LEU A 121 -7.193 5.294 -2.468 1.00 0.00 O ATOM 531 CB LEU A 121 -5.691 6.536 -5.122 1.00 0.00 C ATOM 532 CG LEU A 121 -4.444 7.296 -4.668 1.00 0.00 C ATOM 533 CD1 LEU A 121 -3.186 6.612 -5.182 1.00 0.00 C ATOM 534 CD2 LEU A 121 -4.498 8.741 -5.142 1.00 0.00 C ATOM 0 H LEU A 121 -5.864 4.467 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.062 4.974 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.647 6.410 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.568 7.147 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.416 7.293 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.309 7.167 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.141 5.594 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.206 6.584 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.603 9.267 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.550 8.765 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.380 9.228 -4.726 1.00 0.00 H new ATOM 546 N ALA A 122 -8.296 4.916 -4.393 1.00 0.00 N ATOM 547 CA ALA A 122 -9.607 4.863 -3.758 1.00 0.00 C ATOM 548 C ALA A 122 -9.669 3.749 -2.720 1.00 0.00 C ATOM 549 O ALA A 122 -10.266 3.913 -1.655 1.00 0.00 O ATOM 550 CB ALA A 122 -10.692 4.672 -4.807 1.00 0.00 C ATOM 0 H ALA A 122 -8.310 4.777 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.775 5.810 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.666 4.634 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.670 5.505 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.518 3.740 -5.344 1.00 0.00 H new ATOM 556 N SER A 123 -9.051 2.617 -3.035 1.00 0.00 N ATOM 557 CA SER A 123 -9.037 1.475 -2.129 1.00 0.00 C ATOM 558 C SER A 123 -8.201 1.775 -0.889 1.00 0.00 C ATOM 559 O SER A 123 -8.605 1.468 0.234 1.00 0.00 O ATOM 560 CB SER A 123 -8.488 0.238 -2.841 1.00 0.00 C ATOM 561 OG SER A 123 -9.518 -0.465 -3.512 1.00 0.00 O ATOM 0 H SER A 123 -8.553 2.465 -3.912 1.00 0.00 H new ATOM 0 HA SER A 123 -10.063 1.279 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.722 0.537 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.008 -0.419 -2.116 1.00 0.00 H new ATOM 0 HG SER A 123 -9.140 -1.250 -3.960 1.00 0.00 H new ATOM 567 N PHE A 124 -7.035 2.376 -1.098 1.00 0.00 N ATOM 568 CA PHE A 124 -6.141 2.718 0.003 1.00 0.00 C ATOM 569 C PHE A 124 -6.821 3.672 0.979 1.00 0.00 C ATOM 570 O PHE A 124 -6.800 3.455 2.191 1.00 0.00 O ATOM 571 CB PHE A 124 -4.855 3.348 -0.533 1.00 0.00 C ATOM 572 CG PHE A 124 -3.678 3.180 0.383 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.493 4.035 1.459 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.755 2.169 0.169 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.410 3.882 2.304 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.670 2.011 1.010 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.497 2.869 2.079 1.00 0.00 C ATOM 0 H PHE A 124 -6.686 2.637 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.892 1.800 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.619 2.905 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -5.024 4.411 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.203 4.829 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.885 1.496 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.277 4.553 3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.959 1.218 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.650 2.748 2.738 1.00 0.00 H new ATOM 587 N ILE A 125 -7.422 4.729 0.444 1.00 0.00 N ATOM 588 CA ILE A 125 -8.107 5.717 1.268 1.00 0.00 C ATOM 589 C ILE A 125 -9.370 5.130 1.892 1.00 0.00 C ATOM 590 O ILE A 125 -9.759 5.505 2.998 1.00 0.00 O ATOM 591 CB ILE A 125 -8.484 6.968 0.450 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.258 7.511 -0.286 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.081 8.035 1.355 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.592 8.546 -1.338 1.00 0.00 C ATOM 0 H ILE A 125 -7.449 4.923 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.414 6.006 2.058 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.234 6.687 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.574 7.951 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.731 6.682 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.342 8.911 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -9.977 7.644 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.353 8.316 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.674 8.886 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.251 8.105 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.091 9.394 -0.869 1.00 0.00 H new ATOM 606 N ALA A 126 -10.005 4.208 1.176 1.00 0.00 N ATOM 607 CA ALA A 126 -11.223 3.570 1.660 1.00 0.00 C ATOM 608 C ALA A 126 -10.942 2.715 2.891 1.00 0.00 C ATOM 609 O ALA A 126 -11.533 2.923 3.951 1.00 0.00 O ATOM 610 CB ALA A 126 -11.850 2.726 0.560 1.00 0.00 C ATOM 0 H ALA A 126 -9.696 3.886 0.259 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.925 4.353 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.759 2.256 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -12.095 3.361 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -11.146 1.956 0.246 1.00 0.00 H new ATOM 616 N TYR A 127 -10.035 1.754 2.745 1.00 0.00 N ATOM 617 CA TYR A 127 -9.676 0.869 3.847 1.00 0.00 C ATOM 618 C TYR A 127 -9.065 1.660 4.999 1.00 0.00 C ATOM 619 O TYR A 127 -9.272 1.335 6.167 1.00 0.00 O ATOM 620 CB TYR A 127 -8.693 -0.201 3.369 1.00 0.00 C ATOM 621 CG TYR A 127 -8.797 -1.504 4.131 1.00 0.00 C ATOM 622 CD1 TYR A 127 -10.005 -2.185 4.219 1.00 0.00 C ATOM 623 CD2 TYR A 127 -7.688 -2.051 4.763 1.00 0.00 C ATOM 624 CE1 TYR A 127 -10.104 -3.375 4.915 1.00 0.00 C ATOM 625 CE2 TYR A 127 -7.779 -3.242 5.460 1.00 0.00 C ATOM 626 CZ TYR A 127 -8.988 -3.898 5.533 1.00 0.00 C ATOM 627 OH TYR A 127 -9.083 -5.083 6.227 1.00 0.00 O ATOM 0 H TYR A 127 -9.536 1.569 1.875 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.584 0.383 4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.866 -0.394 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.677 0.184 3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -10.881 -1.778 3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.739 -1.538 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -11.050 -3.892 4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.907 -3.656 5.944 1.00 0.00 H new ATOM 0 HH TYR A 127 -8.207 -5.314 6.601 1.00 0.00 H new ATOM 637 N TRP A 128 -8.312 2.701 4.659 1.00 0.00 N ATOM 638 CA TRP A 128 -7.672 3.542 5.664 1.00 0.00 C ATOM 639 C TRP A 128 -8.719 4.257 6.515 1.00 0.00 C ATOM 640 O TRP A 128 -8.684 4.191 7.744 1.00 0.00 O ATOM 641 CB TRP A 128 -6.748 4.562 4.984 1.00 0.00 C ATOM 642 CG TRP A 128 -6.268 5.653 5.897 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.124 6.974 5.584 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.868 5.518 7.267 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.662 7.670 6.674 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.497 6.798 7.719 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.789 4.441 8.154 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.053 7.029 9.019 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.348 4.672 9.444 1.00 0.00 C ATOM 650 CH2 TRP A 128 -4.985 5.957 9.865 1.00 0.00 C ATOM 0 H TRP A 128 -8.130 2.982 3.696 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.076 2.908 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.884 4.038 4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.276 5.012 4.143 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.342 7.408 4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.473 8.672 6.702 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -6.067 3.447 7.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.773 8.019 9.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.282 3.847 10.138 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.644 6.105 10.879 1.00 0.00 H new ATOM 661 N GLN A 129 -9.647 4.939 5.853 1.00 0.00 N ATOM 662 CA GLN A 129 -10.704 5.665 6.546 1.00 0.00 C ATOM 663 C GLN A 129 -11.650 4.703 7.259 1.00 0.00 C ATOM 664 O GLN A 129 -12.129 4.987 8.356 1.00 0.00 O ATOM 665 CB GLN A 129 -11.488 6.532 5.560 1.00 0.00 C ATOM 666 CG GLN A 129 -12.398 7.547 6.230 1.00 0.00 C ATOM 667 CD GLN A 129 -13.672 7.794 5.448 1.00 0.00 C ATOM 668 OE1 GLN A 129 -14.563 6.946 5.406 1.00 0.00 O ATOM 669 NE2 GLN A 129 -13.766 8.961 4.820 1.00 0.00 N ATOM 0 H GLN A 129 -9.688 5.004 4.836 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.238 6.307 7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -10.785 7.058 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.088 5.886 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -12.652 7.197 7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.861 8.488 6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -13.004 9.636 4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -14.601 9.182 4.277 1.00 0.00 H new ATOM 678 N ALA A 130 -11.912 3.565 6.627 1.00 0.00 N ATOM 679 CA ALA A 130 -12.802 2.561 7.198 1.00 0.00 C ATOM 680 C ALA A 130 -12.175 1.900 8.421 1.00 0.00 C ATOM 681 O ALA A 130 -12.868 1.563 9.380 1.00 0.00 O ATOM 682 CB ALA A 130 -13.153 1.512 6.153 1.00 0.00 C ATOM 0 H ALA A 130 -11.521 3.314 5.719 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.716 3.063 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.818 0.769 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.651 1.991 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -12.242 1.024 5.807 1.00 0.00 H new ATOM 688 N GLU A 131 -10.859 1.717 8.381 1.00 0.00 N ATOM 689 CA GLU A 131 -10.141 1.096 9.487 1.00 0.00 C ATOM 690 C GLU A 131 -10.273 1.929 10.759 1.00 0.00 C ATOM 691 O GLU A 131 -10.461 1.390 11.849 1.00 0.00 O ATOM 692 CB GLU A 131 -8.663 0.919 9.127 1.00 0.00 C ATOM 693 CG GLU A 131 -8.309 -0.495 8.694 1.00 0.00 C ATOM 694 CD GLU A 131 -7.346 -1.175 9.648 1.00 0.00 C ATOM 695 OE1 GLU A 131 -6.153 -0.806 9.650 1.00 0.00 O ATOM 696 OE2 GLU A 131 -7.786 -2.077 10.393 1.00 0.00 O ATOM 0 H GLU A 131 -10.269 1.990 7.595 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.583 0.116 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.407 1.611 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.052 1.190 9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.221 -1.087 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.867 -0.466 7.698 1.00 0.00 H new ATOM 703 N GLY A 132 -10.173 3.245 10.611 1.00 0.00 N ATOM 704 CA GLY A 132 -10.285 4.131 11.756 1.00 0.00 C ATOM 705 C GLY A 132 -9.195 3.889 12.782 1.00 0.00 C ATOM 706 O GLY A 132 -9.410 4.073 13.981 1.00 0.00 O ATOM 0 H GLY A 132 -10.016 3.715 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.238 5.166 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.259 3.993 12.225 1.00 0.00 H new ATOM 710 N LYS A 133 -8.023 3.475 12.312 1.00 0.00 N ATOM 711 CA LYS A 133 -6.896 3.208 13.195 1.00 0.00 C ATOM 712 C LYS A 133 -5.803 4.259 13.013 1.00 0.00 C ATOM 713 O LYS A 133 -6.046 5.326 12.451 1.00 0.00 O ATOM 714 CB LYS A 133 -6.335 1.808 12.926 1.00 0.00 C ATOM 715 CG LYS A 133 -6.086 1.001 14.191 1.00 0.00 C ATOM 716 CD LYS A 133 -4.996 -0.038 13.982 1.00 0.00 C ATOM 717 CE LYS A 133 -4.692 -0.791 15.268 1.00 0.00 C ATOM 718 NZ LYS A 133 -4.422 -2.233 15.018 1.00 0.00 N ATOM 0 H LYS A 133 -7.830 3.317 11.323 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.248 3.256 14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -7.031 1.263 12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.400 1.900 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -5.801 1.672 15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.008 0.506 14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -5.306 -0.743 13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -4.090 0.450 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -3.829 -0.340 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -5.534 -0.693 15.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -4.219 -2.710 15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -5.255 -2.670 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -3.603 -2.328 14.385 1.00 0.00 H new ATOM 732 N VAL A 134 -4.602 3.951 13.491 1.00 0.00 N ATOM 733 CA VAL A 134 -3.477 4.869 13.379 1.00 0.00 C ATOM 734 C VAL A 134 -2.182 4.118 13.088 1.00 0.00 C ATOM 735 O VAL A 134 -1.955 3.026 13.612 1.00 0.00 O ATOM 736 CB VAL A 134 -3.298 5.700 14.665 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.324 6.845 14.433 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.641 6.224 15.155 1.00 0.00 C ATOM 0 H VAL A 134 -4.384 3.072 13.960 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.699 5.541 12.550 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.883 5.052 15.437 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.212 7.419 15.353 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.355 6.444 14.135 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.706 7.494 13.645 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.494 6.808 16.064 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -5.088 6.855 14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.304 5.385 15.366 1.00 0.00 H new ATOM 748 N PHE A 135 -1.335 4.706 12.249 1.00 0.00 N ATOM 749 CA PHE A 135 -0.064 4.089 11.888 1.00 0.00 C ATOM 750 C PHE A 135 1.077 5.098 11.971 1.00 0.00 C ATOM 751 O PHE A 135 0.865 6.303 11.835 1.00 0.00 O ATOM 752 CB PHE A 135 -0.132 3.504 10.474 1.00 0.00 C ATOM 753 CG PHE A 135 -1.449 2.860 10.143 1.00 0.00 C ATOM 754 CD1 PHE A 135 -2.009 1.919 10.993 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.124 3.194 8.980 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.219 1.325 10.687 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.334 2.604 8.671 1.00 0.00 C ATOM 758 CZ PHE A 135 -3.883 1.667 9.525 1.00 0.00 C ATOM 0 H PHE A 135 -1.506 5.609 11.807 1.00 0.00 H new ATOM 0 HA PHE A 135 0.128 3.285 12.599 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.064 4.298 9.753 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.661 2.766 10.359 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.495 1.647 11.903 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.699 3.924 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.646 0.593 11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.851 2.875 7.762 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.828 1.203 9.285 1.00 0.00 H new ATOM 768 N HIS A 136 2.289 4.597 12.192 1.00 0.00 N ATOM 769 CA HIS A 136 3.465 5.452 12.288 1.00 0.00 C ATOM 770 C HIS A 136 3.945 5.870 10.901 1.00 0.00 C ATOM 771 O HIS A 136 3.354 5.490 9.890 1.00 0.00 O ATOM 772 CB HIS A 136 4.587 4.726 13.034 1.00 0.00 C ATOM 773 CG HIS A 136 4.814 5.238 14.421 1.00 0.00 C ATOM 774 ND1 HIS A 136 4.882 4.585 15.605 1.00 0.00 N flip ATOM 775 CD2 HIS A 136 5.003 6.573 14.710 1.00 0.00 C flip ATOM 776 CE1 HIS A 136 5.110 5.528 16.578 1.00 0.00 C flip ATOM 777 NE2 HIS A 136 5.178 6.719 16.012 1.00 0.00 N flip ATOM 0 H HIS A 136 2.481 3.602 12.308 1.00 0.00 H new ATOM 0 HA HIS A 136 3.191 6.349 12.843 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.351 3.663 13.082 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.512 4.822 12.465 1.00 0.00 H new ATOM 0 HD2 HIS A 136 5.007 7.374 13.986 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.216 5.328 17.634 1.00 0.00 H new ATOM 0 HE2 HIS A 136 5.338 7.602 16.497 1.00 0.00 H new ATOM 786 N HIS A 137 5.021 6.648 10.861 1.00 0.00 N ATOM 787 CA HIS A 137 5.581 7.110 9.596 1.00 0.00 C ATOM 788 C HIS A 137 6.250 5.959 8.852 1.00 0.00 C ATOM 789 O HIS A 137 6.068 5.796 7.645 1.00 0.00 O ATOM 790 CB HIS A 137 6.591 8.233 9.838 1.00 0.00 C ATOM 791 CG HIS A 137 7.771 7.811 10.658 1.00 0.00 C ATOM 792 ND1 HIS A 137 7.730 7.692 12.032 1.00 0.00 N ATOM 793 CD2 HIS A 137 9.031 7.476 10.291 1.00 0.00 C ATOM 794 CE1 HIS A 137 8.913 7.304 12.473 1.00 0.00 C ATOM 795 NE2 HIS A 137 9.720 7.165 11.437 1.00 0.00 N ATOM 0 H HIS A 137 5.522 6.972 11.688 1.00 0.00 H new ATOM 0 HA HIS A 137 4.766 7.495 8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.942 8.608 8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.089 9.061 10.338 1.00 0.00 H new ATOM 0 HD2 HIS A 137 9.421 7.457 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 137 9.176 7.130 13.506 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.697 6.874 11.481 1.00 0.00 H new ATOM 804 N VAL A 138 7.021 5.160 9.583 1.00 0.00 N ATOM 805 CA VAL A 138 7.714 4.021 8.995 1.00 0.00 C ATOM 806 C VAL A 138 6.719 2.969 8.518 1.00 0.00 C ATOM 807 O VAL A 138 6.948 2.293 7.514 1.00 0.00 O ATOM 808 CB VAL A 138 8.686 3.373 9.999 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.539 2.318 9.311 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.560 4.432 10.654 1.00 0.00 C ATOM 0 H VAL A 138 7.181 5.281 10.583 1.00 0.00 H new ATOM 0 HA VAL A 138 8.283 4.398 8.145 1.00 0.00 H new ATOM 0 HB VAL A 138 8.102 2.883 10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 138 10.220 1.871 10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.894 1.545 8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 138 10.115 2.781 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.240 3.956 11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.136 4.952 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 138 8.930 5.147 11.183 1.00 0.00 H new ATOM 820 N GLN A 139 5.613 2.838 9.244 1.00 0.00 N ATOM 821 CA GLN A 139 4.580 1.872 8.894 1.00 0.00 C ATOM 822 C GLN A 139 3.866 2.287 7.613 1.00 0.00 C ATOM 823 O GLN A 139 3.565 1.454 6.758 1.00 0.00 O ATOM 824 CB GLN A 139 3.569 1.737 10.037 1.00 0.00 C ATOM 825 CG GLN A 139 3.782 0.499 10.895 1.00 0.00 C ATOM 826 CD GLN A 139 5.202 0.384 11.414 1.00 0.00 C ATOM 827 OE1 GLN A 139 5.741 1.326 11.995 1.00 0.00 O ATOM 828 NE2 GLN A 139 5.816 -0.775 11.204 1.00 0.00 N ATOM 0 H GLN A 139 5.410 3.389 10.078 1.00 0.00 H new ATOM 0 HA GLN A 139 5.058 0.907 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 139 3.629 2.622 10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.562 1.711 9.620 1.00 0.00 H new ATOM 0 HG2 GLN A 139 3.092 0.523 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 139 3.540 -0.389 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 139 5.330 -1.529 10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 139 6.773 -0.911 11.529 1.00 0.00 H new ATOM 837 N TRP A 140 3.602 3.582 7.488 1.00 0.00 N ATOM 838 CA TRP A 140 2.926 4.115 6.311 1.00 0.00 C ATOM 839 C TRP A 140 3.760 3.886 5.056 1.00 0.00 C ATOM 840 O TRP A 140 3.239 3.489 4.015 1.00 0.00 O ATOM 841 CB TRP A 140 2.652 5.610 6.489 1.00 0.00 C ATOM 842 CG TRP A 140 1.572 6.128 5.590 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.231 6.149 5.846 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.741 6.700 4.287 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.444 6.699 4.782 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.462 7.045 3.814 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.851 6.953 3.476 1.00 0.00 C ATOM 848 CZ2 TRP A 140 0.262 7.631 2.566 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.652 7.535 2.238 1.00 0.00 C ATOM 850 CH2 TRP A 140 1.366 7.868 1.793 1.00 0.00 C ATOM 0 H TRP A 140 3.846 4.283 8.188 1.00 0.00 H new ATOM 0 HA TRP A 140 1.978 3.589 6.197 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.374 5.800 7.526 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.570 6.165 6.299 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -0.232 5.787 6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.454 6.828 4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.846 6.698 3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.728 7.889 2.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.502 7.736 1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.243 8.321 0.820 1.00 0.00 H new ATOM 861 N GLN A 141 5.061 4.138 5.164 1.00 0.00 N ATOM 862 CA GLN A 141 5.970 3.958 4.038 1.00 0.00 C ATOM 863 C GLN A 141 6.158 2.478 3.723 1.00 0.00 C ATOM 864 O GLN A 141 6.302 2.094 2.562 1.00 0.00 O ATOM 865 CB GLN A 141 7.325 4.601 4.341 1.00 0.00 C ATOM 866 CG GLN A 141 7.992 4.053 5.590 1.00 0.00 C ATOM 867 CD GLN A 141 9.326 4.714 5.877 1.00 0.00 C ATOM 868 OE1 GLN A 141 10.351 4.043 5.998 1.00 0.00 O ATOM 869 NE2 GLN A 141 9.319 6.037 5.987 1.00 0.00 N ATOM 0 H GLN A 141 5.509 4.467 6.019 1.00 0.00 H new ATOM 0 HA GLN A 141 5.530 4.445 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 141 7.988 4.450 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.190 5.677 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.329 4.195 6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.140 2.979 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.446 6.553 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.187 6.537 6.179 1.00 0.00 H new ATOM 878 N GLN A 142 6.153 1.651 4.764 1.00 0.00 N ATOM 879 CA GLN A 142 6.322 0.212 4.599 1.00 0.00 C ATOM 880 C GLN A 142 5.055 -0.423 4.037 1.00 0.00 C ATOM 881 O GLN A 142 5.118 -1.383 3.269 1.00 0.00 O ATOM 882 CB GLN A 142 6.681 -0.437 5.937 1.00 0.00 C ATOM 883 CG GLN A 142 8.147 -0.289 6.312 1.00 0.00 C ATOM 884 CD GLN A 142 8.713 -1.539 6.956 1.00 0.00 C ATOM 885 OE1 GLN A 142 9.174 -2.450 6.268 1.00 0.00 O ATOM 886 NE2 GLN A 142 8.680 -1.589 8.282 1.00 0.00 N ATOM 0 H GLN A 142 6.034 1.953 5.731 1.00 0.00 H new ATOM 0 HA GLN A 142 7.135 0.045 3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 142 6.068 0.005 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 142 6.430 -1.497 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.725 -0.052 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.260 0.551 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 142 8.289 -0.810 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 142 9.046 -2.406 8.771 1.00 0.00 H new ATOM 895 N LYS A 143 3.904 0.119 4.424 1.00 0.00 N ATOM 896 CA LYS A 143 2.622 -0.396 3.959 1.00 0.00 C ATOM 897 C LYS A 143 2.419 -0.091 2.478 1.00 0.00 C ATOM 898 O LYS A 143 2.156 -0.991 1.679 1.00 0.00 O ATOM 899 CB LYS A 143 1.479 0.208 4.776 1.00 0.00 C ATOM 900 CG LYS A 143 0.290 -0.723 4.943 1.00 0.00 C ATOM 901 CD LYS A 143 0.410 -1.560 6.206 1.00 0.00 C ATOM 902 CE LYS A 143 -0.929 -1.708 6.907 1.00 0.00 C ATOM 903 NZ LYS A 143 -1.697 -2.878 6.397 1.00 0.00 N ATOM 0 H LYS A 143 3.834 0.915 5.058 1.00 0.00 H new ATOM 0 HA LYS A 143 2.623 -1.478 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.855 0.484 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 143 1.145 1.127 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -0.629 -0.138 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.216 -1.379 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 143 0.801 -2.546 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 143 1.127 -1.097 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -0.767 -1.820 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -1.515 -0.800 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.604 -2.944 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -1.874 -2.760 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -1.149 -3.748 6.555 1.00 0.00 H new ATOM 917 N LEU A 144 2.542 1.182 2.119 1.00 0.00 N ATOM 918 CA LEU A 144 2.371 1.606 0.734 1.00 0.00 C ATOM 919 C LEU A 144 3.387 0.920 -0.175 1.00 0.00 C ATOM 920 O LEU A 144 3.047 0.461 -1.265 1.00 0.00 O ATOM 921 CB LEU A 144 2.509 3.126 0.624 1.00 0.00 C ATOM 922 CG LEU A 144 1.440 3.813 -0.231 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.950 5.085 0.443 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.982 4.118 -1.619 1.00 0.00 C ATOM 0 H LEU A 144 2.759 1.938 2.768 1.00 0.00 H new ATOM 0 HA LEU A 144 1.371 1.316 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.480 3.552 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.490 3.358 0.208 1.00 0.00 H new ATOM 0 HG LEU A 144 0.594 3.133 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.191 5.558 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.520 4.840 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.787 5.770 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.209 4.606 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.846 4.778 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 144 2.281 3.189 -2.105 1.00 0.00 H new ATOM 936 N ALA A 145 4.633 0.854 0.282 1.00 0.00 N ATOM 937 CA ALA A 145 5.697 0.224 -0.491 1.00 0.00 C ATOM 938 C ALA A 145 5.380 -1.242 -0.764 1.00 0.00 C ATOM 939 O ALA A 145 5.295 -1.666 -1.916 1.00 0.00 O ATOM 940 CB ALA A 145 7.026 0.353 0.237 1.00 0.00 C ATOM 0 H ALA A 145 4.931 1.229 1.183 1.00 0.00 H new ATOM 0 HA ALA A 145 5.771 0.738 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.811 -0.122 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.264 1.408 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.957 -0.134 1.210 1.00 0.00 H new ATOM 946 N ARG A 146 5.208 -2.014 0.305 1.00 0.00 N ATOM 947 CA ARG A 146 4.900 -3.434 0.182 1.00 0.00 C ATOM 948 C ARG A 146 3.592 -3.643 -0.577 1.00 0.00 C ATOM 949 O ARG A 146 3.411 -4.655 -1.253 1.00 0.00 O ATOM 950 CB ARG A 146 4.813 -4.080 1.566 1.00 0.00 C ATOM 951 CG ARG A 146 5.560 -5.399 1.669 1.00 0.00 C ATOM 952 CD ARG A 146 5.395 -6.027 3.044 1.00 0.00 C ATOM 953 NE ARG A 146 6.497 -6.931 3.369 1.00 0.00 N ATOM 954 CZ ARG A 146 6.748 -7.382 4.595 1.00 0.00 C ATOM 955 NH1 ARG A 146 5.979 -7.018 5.614 1.00 0.00 N ATOM 956 NH2 ARG A 146 7.769 -8.201 4.804 1.00 0.00 N ATOM 0 H ARG A 146 5.277 -1.679 1.266 1.00 0.00 H new ATOM 0 HA ARG A 146 5.704 -3.908 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.212 -3.387 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.765 -4.245 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.193 -6.087 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.619 -5.236 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.337 -5.241 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 146 4.453 -6.575 3.082 1.00 0.00 H new ATOM 0 HE ARG A 146 7.109 -7.234 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 146 5.191 -6.389 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 146 6.176 -7.367 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 146 8.362 -8.486 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 146 7.961 -8.547 5.744 1.00 0.00 H new ATOM 970 N SER A 147 2.685 -2.678 -0.459 1.00 0.00 N ATOM 971 CA SER A 147 1.394 -2.757 -1.133 1.00 0.00 C ATOM 972 C SER A 147 1.571 -2.740 -2.649 1.00 0.00 C ATOM 973 O SER A 147 1.043 -3.598 -3.356 1.00 0.00 O ATOM 974 CB SER A 147 0.497 -1.596 -0.700 1.00 0.00 C ATOM 975 OG SER A 147 -0.087 -1.849 0.566 1.00 0.00 O ATOM 0 H SER A 147 2.820 -1.833 0.096 1.00 0.00 H new ATOM 0 HA SER A 147 0.921 -3.697 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.081 -0.677 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.287 -1.441 -1.441 1.00 0.00 H new ATOM 0 HG SER A 147 0.538 -1.585 1.273 1.00 0.00 H new ATOM 981 N LEU A 148 2.317 -1.756 -3.141 1.00 0.00 N ATOM 982 CA LEU A 148 2.564 -1.627 -4.572 1.00 0.00 C ATOM 983 C LEU A 148 3.376 -2.809 -5.093 1.00 0.00 C ATOM 984 O LEU A 148 3.222 -3.224 -6.242 1.00 0.00 O ATOM 985 CB LEU A 148 3.299 -0.319 -4.869 1.00 0.00 C ATOM 986 CG LEU A 148 2.528 0.952 -4.510 1.00 0.00 C ATOM 987 CD1 LEU A 148 3.434 2.170 -4.602 1.00 0.00 C ATOM 988 CD2 LEU A 148 1.319 1.116 -5.418 1.00 0.00 C ATOM 0 H LEU A 148 2.761 -1.037 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 148 1.600 -1.618 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.243 -0.319 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.543 -0.290 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 148 2.177 0.863 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.868 3.065 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 148 4.269 2.056 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 148 3.816 2.264 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.782 2.025 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 148 1.649 1.183 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.658 0.257 -5.303 1.00 0.00 H new ATOM 1000 N GLN A 149 4.241 -3.348 -4.238 1.00 0.00 N ATOM 1001 CA GLN A 149 5.078 -4.483 -4.612 1.00 0.00 C ATOM 1002 C GLN A 149 4.224 -5.712 -4.909 1.00 0.00 C ATOM 1003 O GLN A 149 4.418 -6.384 -5.922 1.00 0.00 O ATOM 1004 CB GLN A 149 6.075 -4.798 -3.497 1.00 0.00 C ATOM 1005 CG GLN A 149 7.107 -5.845 -3.881 1.00 0.00 C ATOM 1006 CD GLN A 149 7.889 -6.357 -2.687 1.00 0.00 C ATOM 1007 OE1 GLN A 149 7.313 -6.720 -1.661 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.210 -6.388 -2.815 1.00 0.00 N ATOM 0 H GLN A 149 4.380 -3.017 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 149 5.627 -4.216 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 149 6.590 -3.881 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 149 5.529 -5.143 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 149 6.607 -6.681 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 149 7.798 -5.419 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 149 9.646 -6.078 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 149 9.789 -6.722 -2.045 1.00 0.00 H new ATOM 1017 N ILE A 150 3.281 -5.999 -4.019 1.00 0.00 N ATOM 1018 CA ILE A 150 2.398 -7.148 -4.185 1.00 0.00 C ATOM 1019 C ILE A 150 1.318 -6.872 -5.228 1.00 0.00 C ATOM 1020 O ILE A 150 0.716 -7.798 -5.772 1.00 0.00 O ATOM 1021 CB ILE A 150 1.723 -7.536 -2.855 1.00 0.00 C ATOM 1022 CG1 ILE A 150 2.765 -7.641 -1.740 1.00 0.00 C ATOM 1023 CG2 ILE A 150 0.969 -8.849 -3.007 1.00 0.00 C ATOM 1024 CD1 ILE A 150 2.170 -7.589 -0.349 1.00 0.00 C ATOM 0 H ILE A 150 3.108 -5.452 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 150 3.021 -7.975 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 150 1.009 -6.758 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 150 3.316 -8.574 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.485 -6.830 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 150 0.498 -9.110 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 150 0.204 -8.742 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.665 -9.637 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.967 -7.669 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.643 -6.645 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.472 -8.416 -0.221 1.00 0.00 H new ATOM 1036 N GLY A 151 1.076 -5.595 -5.501 1.00 0.00 N ATOM 1037 CA GLY A 151 0.070 -5.222 -6.478 1.00 0.00 C ATOM 1038 C GLY A 151 0.521 -5.478 -7.902 1.00 0.00 C ATOM 1039 O GLY A 151 -0.247 -5.979 -8.724 1.00 0.00 O ATOM 0 H GLY A 151 1.559 -4.811 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -0.845 -5.781 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.171 -4.165 -6.361 1.00 0.00 H new