USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 MET CE :methyl -172:sc= 0 (180deg=-0.048) USER MOD Single : A 321 TYR OH : rot 150:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 5.660 -14.953 -1.722 1.00 0.00 N ATOM 2 CA LYS A 308 5.790 -13.989 -2.862 1.00 0.00 C ATOM 3 C LYS A 308 4.759 -12.853 -2.733 1.00 0.00 C ATOM 4 O LYS A 308 4.269 -12.338 -3.721 1.00 0.00 O ATOM 5 CB LYS A 308 5.517 -14.822 -4.122 1.00 0.00 C ATOM 6 CG LYS A 308 6.284 -14.232 -5.311 1.00 0.00 C ATOM 7 CD LYS A 308 5.294 -13.739 -6.373 1.00 0.00 C ATOM 8 CE LYS A 308 4.812 -14.921 -7.220 1.00 0.00 C ATOM 9 NZ LYS A 308 3.794 -14.351 -8.150 1.00 0.00 N ATOM 0 HA LYS A 308 6.773 -13.518 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 308 5.821 -15.856 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 308 4.448 -14.834 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 308 6.914 -13.407 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 308 6.946 -14.985 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 308 4.444 -13.253 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 308 5.771 -12.994 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 308 5.637 -15.373 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 308 4.380 -15.702 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 3.421 -15.105 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 3.016 -13.934 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 4.235 -13.615 -8.738 1.00 0.00 H new ATOM 22 N PHE A 309 4.429 -12.454 -1.527 1.00 0.00 N ATOM 23 CA PHE A 309 3.436 -11.354 -1.340 1.00 0.00 C ATOM 24 C PHE A 309 3.784 -10.533 -0.091 1.00 0.00 C ATOM 25 O PHE A 309 4.145 -11.089 0.929 1.00 0.00 O ATOM 26 CB PHE A 309 2.088 -12.058 -1.160 1.00 0.00 C ATOM 27 CG PHE A 309 1.312 -12.008 -2.456 1.00 0.00 C ATOM 28 CD1 PHE A 309 0.611 -10.848 -2.808 1.00 0.00 C ATOM 29 CD2 PHE A 309 1.292 -13.121 -3.306 1.00 0.00 C ATOM 30 CE1 PHE A 309 -0.108 -10.800 -4.008 1.00 0.00 C ATOM 31 CE2 PHE A 309 0.573 -13.073 -4.506 1.00 0.00 C ATOM 32 CZ PHE A 309 -0.127 -11.913 -4.857 1.00 0.00 C ATOM 0 H PHE A 309 4.807 -12.845 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 309 3.424 -10.663 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 309 2.245 -13.094 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 309 1.519 -11.577 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 309 0.625 -9.989 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 309 1.832 -14.017 -3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -0.648 -9.905 -4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.558 -13.931 -5.161 1.00 0.00 H new ATOM 0 HZ PHE A 309 -0.682 -11.876 -5.783 1.00 0.00 H new ATOM 42 N PRO A 310 3.662 -9.232 -0.214 1.00 0.00 N ATOM 43 CA PRO A 310 3.968 -8.328 0.924 1.00 0.00 C ATOM 44 C PRO A 310 2.856 -8.396 1.980 1.00 0.00 C ATOM 45 O PRO A 310 1.686 -8.268 1.669 1.00 0.00 O ATOM 46 CB PRO A 310 4.023 -6.945 0.279 1.00 0.00 C ATOM 47 CG PRO A 310 3.179 -7.054 -0.952 1.00 0.00 C ATOM 48 CD PRO A 310 3.237 -8.489 -1.409 1.00 0.00 C ATOM 0 HA PRO A 310 4.891 -8.589 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 310 3.639 -6.180 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 310 5.047 -6.666 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 310 2.151 -6.759 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 310 3.548 -6.387 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 310 2.266 -8.832 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 310 3.943 -8.617 -2.230 1.00 0.00 H new ATOM 56 N ARG A 311 3.216 -8.604 3.223 1.00 0.00 N ATOM 57 CA ARG A 311 2.186 -8.690 4.310 1.00 0.00 C ATOM 58 C ARG A 311 1.594 -7.293 4.615 1.00 0.00 C ATOM 59 O ARG A 311 1.888 -6.668 5.614 1.00 0.00 O ATOM 60 CB ARG A 311 2.916 -9.336 5.520 1.00 0.00 C ATOM 61 CG ARG A 311 3.717 -8.323 6.370 1.00 0.00 C ATOM 62 CD ARG A 311 4.669 -7.492 5.497 1.00 0.00 C ATOM 63 NE ARG A 311 5.807 -8.404 5.182 1.00 0.00 N ATOM 64 CZ ARG A 311 7.034 -8.020 5.405 1.00 0.00 C ATOM 65 NH1 ARG A 311 7.597 -7.139 4.618 1.00 0.00 N ATOM 66 NH2 ARG A 311 7.700 -8.516 6.415 1.00 0.00 N ATOM 0 H ARG A 311 4.181 -8.718 3.534 1.00 0.00 H new ATOM 0 HA ARG A 311 1.324 -9.296 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 311 2.181 -9.831 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 311 3.593 -10.108 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 311 3.029 -7.660 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 311 4.289 -8.855 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 311 4.174 -7.152 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 311 5.012 -6.602 6.025 1.00 0.00 H new ATOM 0 HE ARG A 311 5.626 -9.329 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 311 7.077 -6.753 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 311 8.556 -6.839 4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 311 7.260 -9.203 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 311 8.659 -8.216 6.590 1.00 0.00 H new ATOM 80 N ALA A 312 0.744 -6.808 3.734 1.00 0.00 N ATOM 81 CA ALA A 312 0.105 -5.461 3.924 1.00 0.00 C ATOM 82 C ALA A 312 1.161 -4.345 3.888 1.00 0.00 C ATOM 83 O ALA A 312 2.349 -4.602 3.821 1.00 0.00 O ATOM 84 CB ALA A 312 -0.583 -5.517 5.293 1.00 0.00 C ATOM 0 H ALA A 312 0.463 -7.294 2.882 1.00 0.00 H new ATOM 0 HA ALA A 312 -0.606 -5.240 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -1.070 -4.563 5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -1.328 -6.312 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.160 -5.715 6.066 1.00 0.00 H new ATOM 90 N MET A 313 0.725 -3.105 3.929 1.00 0.00 N ATOM 91 CA MET A 313 1.681 -1.949 3.895 1.00 0.00 C ATOM 92 C MET A 313 2.603 -2.046 2.666 1.00 0.00 C ATOM 93 O MET A 313 3.786 -2.311 2.795 1.00 0.00 O ATOM 94 CB MET A 313 2.484 -2.049 5.197 1.00 0.00 C ATOM 95 CG MET A 313 3.003 -0.663 5.587 1.00 0.00 C ATOM 96 SD MET A 313 4.067 -0.803 7.045 1.00 0.00 S ATOM 97 CE MET A 313 2.752 -0.830 8.288 1.00 0.00 C ATOM 0 H MET A 313 -0.259 -2.843 3.985 1.00 0.00 H new ATOM 0 HA MET A 313 1.164 -0.993 3.817 1.00 0.00 H new ATOM 0 HB2 MET A 313 1.857 -2.451 5.993 1.00 0.00 H new ATOM 0 HB3 MET A 313 3.319 -2.738 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 313 3.560 -0.225 4.758 1.00 0.00 H new ATOM 0 HG3 MET A 313 2.167 0.004 5.797 1.00 0.00 H new ATOM 0 HE1 MET A 313 3.191 -0.770 9.284 1.00 0.00 H new ATOM 0 HE2 MET A 313 2.087 0.020 8.133 1.00 0.00 H new ATOM 0 HE3 MET A 313 2.184 -1.756 8.197 1.00 0.00 H new ATOM 107 N PRO A 314 2.030 -1.823 1.505 1.00 0.00 N ATOM 108 CA PRO A 314 2.816 -1.887 0.244 1.00 0.00 C ATOM 109 C PRO A 314 3.788 -0.706 0.145 1.00 0.00 C ATOM 110 O PRO A 314 3.853 0.134 1.022 1.00 0.00 O ATOM 111 CB PRO A 314 1.751 -1.812 -0.848 1.00 0.00 C ATOM 112 CG PRO A 314 0.587 -1.128 -0.205 1.00 0.00 C ATOM 113 CD PRO A 314 0.620 -1.492 1.256 1.00 0.00 C ATOM 0 HA PRO A 314 3.431 -2.784 0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.110 -1.253 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.478 -2.806 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.653 -0.048 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.350 -1.448 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.287 -0.664 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.033 -2.337 1.472 1.00 0.00 H new ATOM 121 N ILE A 315 4.537 -0.635 -0.924 1.00 0.00 N ATOM 122 CA ILE A 315 5.508 0.500 -1.096 1.00 0.00 C ATOM 123 C ILE A 315 4.976 1.524 -2.108 1.00 0.00 C ATOM 124 O ILE A 315 5.569 2.569 -2.307 1.00 0.00 O ATOM 125 CB ILE A 315 6.848 -0.091 -1.598 1.00 0.00 C ATOM 126 CG1 ILE A 315 6.729 -1.582 -1.964 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.904 0.066 -0.505 1.00 0.00 C ATOM 128 CD1 ILE A 315 6.137 -1.720 -3.370 1.00 0.00 C ATOM 0 H ILE A 315 4.523 -1.311 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 315 5.647 1.014 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 315 7.131 0.453 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 315 7.710 -2.056 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 315 6.096 -2.095 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.851 -0.348 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 315 8.034 1.123 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.582 -0.465 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 315 6.053 -2.776 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 315 5.149 -1.261 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.787 -1.221 -4.089 1.00 0.00 H new ATOM 140 N TRP A 316 3.870 1.232 -2.743 1.00 0.00 N ATOM 141 CA TRP A 316 3.294 2.184 -3.743 1.00 0.00 C ATOM 142 C TRP A 316 2.011 2.838 -3.206 1.00 0.00 C ATOM 143 O TRP A 316 1.533 3.812 -3.756 1.00 0.00 O ATOM 144 CB TRP A 316 2.998 1.340 -4.995 1.00 0.00 C ATOM 145 CG TRP A 316 2.064 0.216 -4.657 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.446 -1.047 -4.357 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.610 0.235 -4.578 1.00 0.00 C ATOM 148 NE1 TRP A 316 1.317 -1.804 -4.096 1.00 0.00 N ATOM 149 CE2 TRP A 316 0.161 -1.057 -4.221 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.353 1.240 -4.780 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.197 -1.343 -4.068 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.718 0.957 -4.628 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.140 -0.332 -4.272 1.00 0.00 C ATOM 0 H TRP A 316 3.338 0.372 -2.612 1.00 0.00 H new ATOM 0 HA TRP A 316 3.983 2.999 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.557 1.968 -5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.927 0.940 -5.400 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.464 -1.405 -4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 316 1.336 -2.792 -3.843 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.039 2.236 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.516 -2.338 -3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.449 1.736 -4.786 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.193 -0.543 -4.156 1.00 0.00 H new ATOM 164 N ALA A 317 1.459 2.320 -2.135 1.00 0.00 N ATOM 165 CA ALA A 317 0.217 2.922 -1.563 1.00 0.00 C ATOM 166 C ALA A 317 0.489 3.413 -0.135 1.00 0.00 C ATOM 167 O ALA A 317 0.021 2.840 0.833 1.00 0.00 O ATOM 168 CB ALA A 317 -0.816 1.790 -1.569 1.00 0.00 C ATOM 0 H ALA A 317 1.816 1.507 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.133 3.783 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.759 2.156 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.972 1.445 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.453 0.963 -0.958 1.00 0.00 H new ATOM 174 N ARG A 318 1.252 4.469 0.000 1.00 0.00 N ATOM 175 CA ARG A 318 1.569 5.010 1.356 1.00 0.00 C ATOM 176 C ARG A 318 1.283 6.514 1.405 1.00 0.00 C ATOM 177 O ARG A 318 1.167 7.154 0.375 1.00 0.00 O ATOM 178 CB ARG A 318 3.071 4.763 1.548 1.00 0.00 C ATOM 179 CG ARG A 318 3.415 3.303 1.236 1.00 0.00 C ATOM 180 CD ARG A 318 4.780 2.957 1.839 1.00 0.00 C ATOM 181 NE ARG A 318 5.763 3.820 1.118 1.00 0.00 N ATOM 182 CZ ARG A 318 6.786 4.319 1.762 1.00 0.00 C ATOM 183 NH1 ARG A 318 7.616 3.521 2.382 1.00 0.00 N ATOM 184 NH2 ARG A 318 6.979 5.613 1.785 1.00 0.00 N ATOM 0 H ARG A 318 1.671 4.982 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 318 0.969 4.535 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.641 5.425 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.357 5.000 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 318 2.649 2.643 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.432 3.145 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 318 4.797 3.153 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.012 1.901 1.705 1.00 0.00 H new ATOM 0 HE ARG A 318 5.637 4.020 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 318 7.465 2.512 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 318 8.415 3.907 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 318 6.331 6.234 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 318 7.777 6.001 2.288 1.00 0.00 H new ATOM 198 N PRO A 319 1.212 7.041 2.604 1.00 0.00 N ATOM 199 CA PRO A 319 0.979 8.499 2.781 1.00 0.00 C ATOM 200 C PRO A 319 2.221 9.270 2.320 1.00 0.00 C ATOM 201 O PRO A 319 2.129 10.332 1.734 1.00 0.00 O ATOM 202 CB PRO A 319 0.754 8.647 4.284 1.00 0.00 C ATOM 203 CG PRO A 319 1.443 7.468 4.892 1.00 0.00 C ATOM 204 CD PRO A 319 1.343 6.347 3.893 1.00 0.00 C ATOM 0 HA PRO A 319 0.141 8.888 2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 319 1.170 9.583 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.309 8.652 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 319 2.485 7.699 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 319 0.973 7.189 5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.227 5.709 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 319 0.483 5.708 4.093 1.00 0.00 H new ATOM 212 N ASP A 320 3.377 8.713 2.568 1.00 0.00 N ATOM 213 CA ASP A 320 4.653 9.357 2.139 1.00 0.00 C ATOM 214 C ASP A 320 5.261 8.548 0.984 1.00 0.00 C ATOM 215 O ASP A 320 6.457 8.328 0.933 1.00 0.00 O ATOM 216 CB ASP A 320 5.557 9.311 3.376 1.00 0.00 C ATOM 217 CG ASP A 320 5.194 10.457 4.323 1.00 0.00 C ATOM 218 OD1 ASP A 320 4.259 10.292 5.091 1.00 0.00 O ATOM 219 OD2 ASP A 320 5.856 11.480 4.262 1.00 0.00 O ATOM 0 H ASP A 320 3.492 7.825 3.057 1.00 0.00 H new ATOM 0 HA ASP A 320 4.518 10.379 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 320 5.443 8.355 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 320 6.602 9.390 3.078 1.00 0.00 H new ATOM 224 N TYR A 321 4.430 8.088 0.071 1.00 0.00 N ATOM 225 CA TYR A 321 4.916 7.271 -1.089 1.00 0.00 C ATOM 226 C TYR A 321 6.224 7.837 -1.653 1.00 0.00 C ATOM 227 O TYR A 321 6.301 8.990 -2.039 1.00 0.00 O ATOM 228 CB TYR A 321 3.792 7.360 -2.129 1.00 0.00 C ATOM 229 CG TYR A 321 4.228 6.723 -3.431 1.00 0.00 C ATOM 230 CD1 TYR A 321 4.803 5.446 -3.437 1.00 0.00 C ATOM 231 CD2 TYR A 321 4.053 7.415 -4.636 1.00 0.00 C ATOM 232 CE1 TYR A 321 5.201 4.862 -4.646 1.00 0.00 C ATOM 233 CE2 TYR A 321 4.451 6.831 -5.844 1.00 0.00 C ATOM 234 CZ TYR A 321 5.025 5.555 -5.849 1.00 0.00 C ATOM 235 OH TYR A 321 5.414 4.977 -7.041 1.00 0.00 O ATOM 0 H TYR A 321 3.423 8.248 0.083 1.00 0.00 H new ATOM 0 HA TYR A 321 5.131 6.242 -0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 321 2.899 6.860 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 321 3.526 8.403 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 321 4.940 4.911 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 321 3.611 8.400 -4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 321 5.644 3.877 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 321 4.315 7.365 -6.773 1.00 0.00 H new ATOM 0 HH TYR A 321 4.840 5.303 -7.765 1.00 0.00 H new ATOM 245 N ASN A 322 7.252 7.026 -1.695 1.00 0.00 N ATOM 246 CA ASN A 322 8.571 7.495 -2.228 1.00 0.00 C ATOM 247 C ASN A 322 8.431 7.948 -3.692 1.00 0.00 C ATOM 248 O ASN A 322 7.577 7.460 -4.410 1.00 0.00 O ATOM 249 CB ASN A 322 9.511 6.283 -2.115 1.00 0.00 C ATOM 250 CG ASN A 322 9.140 5.222 -3.161 1.00 0.00 C ATOM 251 OD1 ASN A 322 9.555 5.304 -4.299 1.00 0.00 O ATOM 252 ND2 ASN A 322 8.378 4.218 -2.820 1.00 0.00 N ATOM 0 H ASN A 322 7.235 6.055 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 322 8.954 8.352 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 322 10.544 6.600 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 322 9.446 5.856 -1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 322 8.134 3.506 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 322 8.027 4.145 -1.865 1.00 0.00 H new ATOM 259 N PRO A 323 9.278 8.872 -4.082 1.00 0.00 N ATOM 260 CA PRO A 323 9.247 9.397 -5.472 1.00 0.00 C ATOM 261 C PRO A 323 9.822 8.363 -6.455 1.00 0.00 C ATOM 262 O PRO A 323 10.995 8.043 -6.398 1.00 0.00 O ATOM 263 CB PRO A 323 10.134 10.640 -5.404 1.00 0.00 C ATOM 264 CG PRO A 323 11.054 10.401 -4.249 1.00 0.00 C ATOM 265 CD PRO A 323 10.329 9.509 -3.276 1.00 0.00 C ATOM 0 HA PRO A 323 8.239 9.616 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 323 10.692 10.777 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.539 11.541 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 323 11.979 9.932 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.329 11.343 -3.775 1.00 0.00 H new ATOM 0 HD2 PRO A 323 10.999 8.769 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 323 9.906 10.082 -2.451 1.00 0.00 H new ATOM 273 N PRO A 324 8.971 7.870 -7.328 1.00 0.00 N ATOM 274 CA PRO A 324 9.405 6.861 -8.330 1.00 0.00 C ATOM 275 C PRO A 324 10.251 7.509 -9.437 1.00 0.00 C ATOM 276 O PRO A 324 10.554 8.688 -9.395 1.00 0.00 O ATOM 277 CB PRO A 324 8.090 6.327 -8.895 1.00 0.00 C ATOM 278 CG PRO A 324 7.094 7.420 -8.673 1.00 0.00 C ATOM 279 CD PRO A 324 7.544 8.201 -7.464 1.00 0.00 C ATOM 0 HA PRO A 324 10.031 6.081 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 324 8.184 6.090 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 324 7.788 5.410 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 324 7.033 8.068 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 324 6.098 7.006 -8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 324 7.396 9.272 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 324 6.983 7.915 -6.574 1.00 0.00 H new ATOM 287 N LEU A 325 10.633 6.739 -10.426 1.00 0.00 N ATOM 288 CA LEU A 325 11.460 7.294 -11.542 1.00 0.00 C ATOM 289 C LEU A 325 10.556 7.862 -12.643 1.00 0.00 C ATOM 290 O LEU A 325 9.551 7.274 -12.997 1.00 0.00 O ATOM 291 CB LEU A 325 12.273 6.104 -12.074 1.00 0.00 C ATOM 292 CG LEU A 325 13.775 6.410 -11.993 1.00 0.00 C ATOM 293 CD1 LEU A 325 14.100 7.647 -12.835 1.00 0.00 C ATOM 294 CD2 LEU A 325 14.172 6.666 -10.535 1.00 0.00 C ATOM 0 H LEU A 325 10.407 5.748 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 325 12.104 8.108 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 325 12.045 5.210 -11.494 1.00 0.00 H new ATOM 0 HB3 LEU A 325 11.992 5.895 -13.106 1.00 0.00 H new ATOM 0 HG LEU A 325 14.333 5.556 -12.377 1.00 0.00 H new ATOM 0 HD11 LEU A 325 15.167 7.859 -12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 325 13.826 7.462 -13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 325 13.538 8.502 -12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 325 15.239 6.883 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 325 13.609 7.516 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 325 13.951 5.782 -9.937 1.00 0.00 H new ATOM 306 N LEU A 326 10.910 9.004 -13.185 1.00 0.00 N ATOM 307 CA LEU A 326 10.076 9.620 -14.263 1.00 0.00 C ATOM 308 C LEU A 326 10.949 10.498 -15.172 1.00 0.00 C ATOM 309 O LEU A 326 11.288 11.616 -14.828 1.00 0.00 O ATOM 310 CB LEU A 326 9.031 10.466 -13.526 1.00 0.00 C ATOM 311 CG LEU A 326 7.662 10.285 -14.188 1.00 0.00 C ATOM 312 CD1 LEU A 326 6.563 10.704 -13.209 1.00 0.00 C ATOM 313 CD2 LEU A 326 7.583 11.156 -15.445 1.00 0.00 C ATOM 0 H LEU A 326 11.741 9.535 -12.926 1.00 0.00 H new ATOM 0 HA LEU A 326 9.609 8.872 -14.904 1.00 0.00 H new ATOM 0 HB2 LEU A 326 8.981 10.169 -12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 326 9.320 11.517 -13.546 1.00 0.00 H new ATOM 0 HG LEU A 326 7.527 9.239 -14.462 1.00 0.00 H new ATOM 0 HD11 LEU A 326 5.588 10.575 -13.680 1.00 0.00 H new ATOM 0 HD12 LEU A 326 6.618 10.085 -12.313 1.00 0.00 H new ATOM 0 HD13 LEU A 326 6.699 11.750 -12.936 1.00 0.00 H new ATOM 0 HD21 LEU A 326 6.609 11.027 -15.916 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.718 12.202 -15.172 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.366 10.859 -16.143 1.00 0.00 H new ATOM 325 N GLU A 327 11.310 9.992 -16.331 1.00 0.00 N ATOM 326 CA GLU A 327 12.164 10.775 -17.287 1.00 0.00 C ATOM 327 C GLU A 327 13.496 11.187 -16.625 1.00 0.00 C ATOM 328 O GLU A 327 13.986 10.431 -15.800 1.00 0.00 O ATOM 329 CB GLU A 327 11.322 12.004 -17.661 1.00 0.00 C ATOM 330 CG GLU A 327 11.437 12.265 -19.166 1.00 0.00 C ATOM 331 CD GLU A 327 10.471 13.382 -19.568 1.00 0.00 C ATOM 332 OE1 GLU A 327 9.295 13.097 -19.721 1.00 0.00 O ATOM 333 OE2 GLU A 327 10.926 14.505 -19.716 1.00 0.00 O ATOM 334 OXT GLU A 327 14.008 12.243 -16.965 1.00 0.00 O ATOM 0 H GLU A 327 11.047 9.062 -16.658 1.00 0.00 H new ATOM 0 HA GLU A 327 12.435 10.191 -18.166 1.00 0.00 H new ATOM 0 HB2 GLU A 327 10.279 11.840 -17.388 1.00 0.00 H new ATOM 0 HB3 GLU A 327 11.664 12.876 -17.103 1.00 0.00 H new ATOM 0 HG2 GLU A 327 12.459 12.546 -19.420 1.00 0.00 H new ATOM 0 HG3 GLU A 327 11.209 11.355 -19.722 1.00 0.00 H new TER 341 GLU A 327