USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 334 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 Set 1.1: A 344 GLN :FLIP amide:sc= 0.0876 F(o=-0.89,f=0.1) USER MOD Set 1.2: A 352 ASN :FLIP amide:sc= 0.0153 F(o=-0.89!,f=0.1) USER MOD Single : A 311 MET CE :methyl 176:sc= 0 (180deg=-0.0227) USER MOD Single : A 312 ASN : amide:sc= 0.985 K(o=0.99,f=-5!) USER MOD Single : A 317 SER OG : rot -7:sc= 0.996 USER MOD Single : A 319 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 322 MET CE :methyl -164:sc= -0.0505 (180deg=-0.377) USER MOD Single : A 323 MET CE :methyl -178:sc= -1.88 (180deg=-2) USER MOD Single : A 327 GLN : amide:sc= -2.1! C(o=-2.1!,f=-7.3!) USER MOD Single : A 331 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.4) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl 159:sc= -0.215 (180deg=-0.946) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 339 MET CE :methyl 160:sc= -0.28 (180deg=-0.951) USER MOD Single : A 342 SER OG : rot 62:sc= 1.27 USER MOD Single : A 343 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.5) USER MOD Single : A 345 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.4!) USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 SER OG : rot -15:sc= 0.592 USER MOD Single : A 350 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 354 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.5!) USER MOD Single : A 355 ASN : amide:sc= 0.505 K(o=0.51,f=-3.2!) USER MOD Single : A 356 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 358 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 359 MET CE :methyl -158:sc= -0.145 (180deg=-0.811) USER MOD Single : A 360 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 21.974 7.347 12.741 1.00 17.40 N ATOM 2 CA MET A 311 21.920 5.916 13.126 1.00 17.36 C ATOM 3 C MET A 311 20.805 5.201 12.367 1.00 16.99 C ATOM 4 O MET A 311 19.644 5.606 12.422 1.00 17.05 O ATOM 5 CB MET A 311 21.710 5.766 14.644 1.00 17.89 C ATOM 6 CG MET A 311 20.454 6.446 15.170 1.00 18.43 C ATOM 7 SD MET A 311 20.203 6.184 16.936 1.00 18.82 S ATOM 8 CE MET A 311 18.698 7.119 17.201 1.00 19.56 C ATOM 0 HA MET A 311 22.873 5.458 12.863 1.00 17.36 H new ATOM 0 HB2 MET A 311 21.666 4.705 14.890 1.00 17.89 H new ATOM 0 HB3 MET A 311 22.576 6.177 15.162 1.00 17.89 H new ATOM 0 HG2 MET A 311 20.516 7.516 14.972 1.00 18.43 H new ATOM 0 HG3 MET A 311 19.588 6.070 14.625 1.00 18.43 H new ATOM 0 HE1 MET A 311 18.371 6.998 18.234 1.00 19.56 H new ATOM 0 HE2 MET A 311 18.885 8.174 17.001 1.00 19.56 H new ATOM 0 HE3 MET A 311 17.921 6.755 16.529 1.00 19.56 H new ATOM 20 N ASN A 312 21.157 4.139 11.650 1.00 16.75 N ATOM 21 CA ASN A 312 20.177 3.398 10.863 1.00 16.58 C ATOM 22 C ASN A 312 19.489 2.351 11.731 1.00 16.05 C ATOM 23 O ASN A 312 19.994 1.985 12.796 1.00 15.92 O ATOM 24 CB ASN A 312 20.834 2.724 9.649 1.00 16.82 C ATOM 25 CG ASN A 312 21.598 1.455 10.002 1.00 16.95 C ATOM 26 OD1 ASN A 312 21.034 0.357 10.011 1.00 17.07 O ATOM 27 ND2 ASN A 312 22.883 1.595 10.277 1.00 17.09 N ATOM 0 H ASN A 312 22.108 3.773 11.597 1.00 16.75 H new ATOM 0 HA ASN A 312 19.434 4.107 10.498 1.00 16.58 H new ATOM 0 HB2 ASN A 312 20.064 2.484 8.915 1.00 16.82 H new ATOM 0 HB3 ASN A 312 21.516 3.430 9.176 1.00 16.82 H new ATOM 0 HD21 ASN A 312 23.447 0.777 10.508 1.00 17.09 H new ATOM 0 HD22 ASN A 312 23.311 2.521 10.258 1.00 17.09 H new ATOM 34 N PHE A 313 18.335 1.879 11.283 1.00 15.90 N ATOM 35 CA PHE A 313 17.588 0.866 12.016 1.00 15.59 C ATOM 36 C PHE A 313 17.414 -0.389 11.169 1.00 14.78 C ATOM 37 O PHE A 313 16.306 -0.724 10.743 1.00 14.72 O ATOM 38 CB PHE A 313 16.221 1.411 12.452 1.00 16.04 C ATOM 39 CG PHE A 313 16.301 2.459 13.525 1.00 16.54 C ATOM 40 CD1 PHE A 313 16.437 3.798 13.201 1.00 16.60 C ATOM 41 CD2 PHE A 313 16.237 2.101 14.862 1.00 17.11 C ATOM 42 CE1 PHE A 313 16.512 4.759 14.188 1.00 17.21 C ATOM 43 CE2 PHE A 313 16.311 3.058 15.853 1.00 17.71 C ATOM 44 CZ PHE A 313 16.449 4.389 15.516 1.00 17.76 C ATOM 0 H PHE A 313 17.895 2.181 10.414 1.00 15.90 H new ATOM 0 HA PHE A 313 18.155 0.604 12.909 1.00 15.59 H new ATOM 0 HB2 PHE A 313 15.714 1.831 11.583 1.00 16.04 H new ATOM 0 HB3 PHE A 313 15.608 0.584 12.810 1.00 16.04 H new ATOM 0 HD1 PHE A 313 16.485 4.094 12.163 1.00 16.60 H new ATOM 0 HD2 PHE A 313 16.128 1.061 15.131 1.00 17.11 H new ATOM 0 HE1 PHE A 313 16.620 5.800 13.922 1.00 17.21 H new ATOM 0 HE2 PHE A 313 16.261 2.766 16.891 1.00 17.71 H new ATOM 0 HZ PHE A 313 16.508 5.140 16.290 1.00 17.76 H new ATOM 54 N GLY A 314 18.522 -1.076 10.923 1.00 14.30 N ATOM 55 CA GLY A 314 18.476 -2.306 10.159 1.00 13.66 C ATOM 56 C GLY A 314 18.553 -2.059 8.668 1.00 13.23 C ATOM 57 O GLY A 314 17.850 -2.703 7.885 1.00 13.59 O ATOM 0 H GLY A 314 19.452 -0.803 11.240 1.00 14.30 H new ATOM 0 HA2 GLY A 314 19.302 -2.950 10.461 1.00 13.66 H new ATOM 0 HA3 GLY A 314 17.554 -2.840 10.389 1.00 13.66 H new ATOM 61 N ALA A 315 19.402 -1.120 8.278 1.00 12.65 N ATOM 62 CA ALA A 315 19.589 -0.791 6.871 1.00 12.37 C ATOM 63 C ALA A 315 21.039 -1.007 6.455 1.00 11.49 C ATOM 64 O ALA A 315 21.392 -0.813 5.290 1.00 11.05 O ATOM 65 CB ALA A 315 19.171 0.648 6.606 1.00 12.55 C ATOM 0 H ALA A 315 19.975 -0.570 8.918 1.00 12.65 H new ATOM 0 HA ALA A 315 18.960 -1.454 6.276 1.00 12.37 H new ATOM 0 HB1 ALA A 315 19.316 0.881 5.551 1.00 12.55 H new ATOM 0 HB2 ALA A 315 18.120 0.775 6.865 1.00 12.55 H new ATOM 0 HB3 ALA A 315 19.778 1.321 7.212 1.00 12.55 H new ATOM 71 N PHE A 316 21.865 -1.408 7.424 1.00 11.43 N ATOM 72 CA PHE A 316 23.294 -1.642 7.211 1.00 10.85 C ATOM 73 C PHE A 316 24.012 -0.343 6.829 1.00 10.07 C ATOM 74 O PHE A 316 24.558 0.350 7.688 1.00 9.85 O ATOM 75 CB PHE A 316 23.510 -2.724 6.142 1.00 11.20 C ATOM 76 CG PHE A 316 24.945 -3.135 5.962 1.00 11.56 C ATOM 77 CD1 PHE A 316 25.599 -3.863 6.942 1.00 11.89 C ATOM 78 CD2 PHE A 316 25.635 -2.797 4.810 1.00 11.80 C ATOM 79 CE1 PHE A 316 26.917 -4.246 6.775 1.00 12.42 C ATOM 80 CE2 PHE A 316 26.950 -3.178 4.639 1.00 12.36 C ATOM 81 CZ PHE A 316 27.593 -3.904 5.621 1.00 12.67 C ATOM 0 H PHE A 316 21.560 -1.580 8.382 1.00 11.43 H new ATOM 0 HA PHE A 316 23.724 -1.997 8.147 1.00 10.85 H new ATOM 0 HB2 PHE A 316 22.923 -3.603 6.407 1.00 11.20 H new ATOM 0 HB3 PHE A 316 23.126 -2.359 5.189 1.00 11.20 H new ATOM 0 HD1 PHE A 316 25.074 -4.134 7.846 1.00 11.89 H new ATOM 0 HD2 PHE A 316 25.139 -2.229 4.037 1.00 11.80 H new ATOM 0 HE1 PHE A 316 27.417 -4.812 7.547 1.00 12.42 H new ATOM 0 HE2 PHE A 316 27.477 -2.908 3.736 1.00 12.36 H new ATOM 0 HZ PHE A 316 28.622 -4.204 5.487 1.00 12.67 H new ATOM 91 N SER A 317 23.996 -0.014 5.545 1.00 9.87 N ATOM 92 CA SER A 317 24.620 1.202 5.046 1.00 9.34 C ATOM 93 C SER A 317 24.046 1.574 3.681 1.00 8.25 C ATOM 94 O SER A 317 23.045 2.289 3.599 1.00 8.10 O ATOM 95 CB SER A 317 26.143 1.041 4.953 1.00 9.90 C ATOM 96 OG SER A 317 26.726 0.874 6.234 1.00 10.38 O ATOM 0 H SER A 317 23.552 -0.581 4.823 1.00 9.87 H new ATOM 0 HA SER A 317 24.404 2.005 5.751 1.00 9.34 H new ATOM 0 HB2 SER A 317 26.382 0.180 4.328 1.00 9.90 H new ATOM 0 HB3 SER A 317 26.574 1.917 4.467 1.00 9.90 H new ATOM 0 HG SER A 317 26.043 1.007 6.924 1.00 10.38 H new ATOM 102 N ILE A 318 24.656 1.058 2.614 1.00 7.73 N ATOM 103 CA ILE A 318 24.234 1.383 1.256 1.00 6.82 C ATOM 104 C ILE A 318 23.972 0.105 0.463 1.00 6.18 C ATOM 105 O ILE A 318 24.844 -0.391 -0.248 1.00 6.36 O ATOM 106 CB ILE A 318 25.298 2.230 0.514 1.00 6.89 C ATOM 107 CG1 ILE A 318 25.718 3.444 1.354 1.00 7.43 C ATOM 108 CG2 ILE A 318 24.769 2.686 -0.841 1.00 7.27 C ATOM 109 CD1 ILE A 318 24.607 4.441 1.594 1.00 7.71 C ATOM 0 H ILE A 318 25.444 0.413 2.666 1.00 7.73 H new ATOM 0 HA ILE A 318 23.317 1.968 1.333 1.00 6.82 H new ATOM 0 HB ILE A 318 26.175 1.603 0.355 1.00 6.89 H new ATOM 0 HG12 ILE A 318 26.093 3.095 2.316 1.00 7.43 H new ATOM 0 HG13 ILE A 318 26.544 3.950 0.855 1.00 7.43 H new ATOM 0 HG21 ILE A 318 25.530 3.280 -1.348 1.00 7.27 H new ATOM 0 HG22 ILE A 318 24.525 1.814 -1.448 1.00 7.27 H new ATOM 0 HG23 ILE A 318 23.873 3.291 -0.697 1.00 7.27 H new ATOM 0 HD11 ILE A 318 24.984 5.269 2.195 1.00 7.71 H new ATOM 0 HD12 ILE A 318 24.247 4.821 0.638 1.00 7.71 H new ATOM 0 HD13 ILE A 318 23.788 3.953 2.122 1.00 7.71 H new ATOM 121 N ASN A 319 22.775 -0.437 0.601 1.00 5.79 N ATOM 122 CA ASN A 319 22.403 -1.651 -0.119 1.00 5.44 C ATOM 123 C ASN A 319 21.003 -1.534 -0.714 1.00 4.60 C ATOM 124 O ASN A 319 20.065 -2.193 -0.258 1.00 4.37 O ATOM 125 CB ASN A 319 22.483 -2.874 0.803 1.00 6.14 C ATOM 126 CG ASN A 319 23.772 -3.658 0.635 1.00 6.86 C ATOM 127 OD1 ASN A 319 23.854 -4.567 -0.192 1.00 7.02 O ATOM 128 ND2 ASN A 319 24.787 -3.318 1.414 1.00 7.58 N ATOM 0 H ASN A 319 22.043 -0.060 1.203 1.00 5.79 H new ATOM 0 HA ASN A 319 23.112 -1.780 -0.937 1.00 5.44 H new ATOM 0 HB2 ASN A 319 22.395 -2.548 1.839 1.00 6.14 H new ATOM 0 HB3 ASN A 319 21.636 -3.530 0.602 1.00 6.14 H new ATOM 0 HD21 ASN A 319 25.675 -3.815 1.341 1.00 7.58 H new ATOM 0 HD22 ASN A 319 24.681 -2.559 2.087 1.00 7.58 H new ATOM 135 N PRO A 320 20.843 -0.696 -1.757 1.00 4.45 N ATOM 136 CA PRO A 320 19.553 -0.502 -2.431 1.00 4.02 C ATOM 137 C PRO A 320 19.010 -1.801 -3.012 1.00 3.55 C ATOM 138 O PRO A 320 17.806 -2.051 -2.972 1.00 3.28 O ATOM 139 CB PRO A 320 19.868 0.504 -3.545 1.00 4.60 C ATOM 140 CG PRO A 320 21.116 1.181 -3.098 1.00 5.20 C ATOM 141 CD PRO A 320 21.897 0.138 -2.355 1.00 5.13 C ATOM 0 HA PRO A 320 18.782 -0.153 -1.744 1.00 4.02 H new ATOM 0 HB2 PRO A 320 20.010 0.003 -4.503 1.00 4.60 H new ATOM 0 HB3 PRO A 320 19.055 1.218 -3.676 1.00 4.60 H new ATOM 0 HG2 PRO A 320 21.681 1.562 -3.948 1.00 5.20 H new ATOM 0 HG3 PRO A 320 20.891 2.033 -2.457 1.00 5.20 H new ATOM 0 HD2 PRO A 320 22.539 -0.438 -3.022 1.00 5.13 H new ATOM 0 HD3 PRO A 320 22.542 0.580 -1.596 1.00 5.13 H new ATOM 149 N ALA A 321 19.912 -2.634 -3.524 1.00 3.54 N ATOM 150 CA ALA A 321 19.542 -3.925 -4.087 1.00 3.23 C ATOM 151 C ALA A 321 18.788 -4.779 -3.071 1.00 2.87 C ATOM 152 O ALA A 321 17.812 -5.446 -3.409 1.00 2.56 O ATOM 153 CB ALA A 321 20.782 -4.659 -4.569 1.00 3.49 C ATOM 0 H ALA A 321 20.912 -2.434 -3.559 1.00 3.54 H new ATOM 0 HA ALA A 321 18.879 -3.745 -4.933 1.00 3.23 H new ATOM 0 HB1 ALA A 321 20.494 -5.623 -4.988 1.00 3.49 H new ATOM 0 HB2 ALA A 321 21.282 -4.065 -5.334 1.00 3.49 H new ATOM 0 HB3 ALA A 321 21.461 -4.816 -3.731 1.00 3.49 H new ATOM 159 N MET A 322 19.232 -4.734 -1.820 1.00 3.00 N ATOM 160 CA MET A 322 18.601 -5.511 -0.758 1.00 2.79 C ATOM 161 C MET A 322 17.206 -4.983 -0.458 1.00 2.47 C ATOM 162 O MET A 322 16.268 -5.756 -0.263 1.00 2.15 O ATOM 163 CB MET A 322 19.456 -5.491 0.511 1.00 3.15 C ATOM 164 CG MET A 322 20.809 -6.167 0.344 1.00 3.58 C ATOM 165 SD MET A 322 20.666 -7.898 -0.149 1.00 4.04 S ATOM 166 CE MET A 322 19.870 -8.599 1.299 1.00 5.05 C ATOM 0 H MET A 322 20.025 -4.169 -1.516 1.00 3.00 H new ATOM 0 HA MET A 322 18.515 -6.541 -1.103 1.00 2.79 H new ATOM 0 HB2 MET A 322 19.611 -4.457 0.818 1.00 3.15 H new ATOM 0 HB3 MET A 322 18.910 -5.984 1.315 1.00 3.15 H new ATOM 0 HG2 MET A 322 21.391 -5.627 -0.403 1.00 3.58 H new ATOM 0 HG3 MET A 322 21.360 -6.105 1.282 1.00 3.58 H new ATOM 0 HE1 MET A 322 19.967 -9.684 1.278 1.00 5.05 H new ATOM 0 HE2 MET A 322 20.345 -8.209 2.200 1.00 5.05 H new ATOM 0 HE3 MET A 322 18.814 -8.329 1.300 1.00 5.05 H new ATOM 176 N MET A 323 17.071 -3.663 -0.434 1.00 2.62 N ATOM 177 CA MET A 323 15.780 -3.022 -0.203 1.00 2.46 C ATOM 178 C MET A 323 14.831 -3.286 -1.372 1.00 2.10 C ATOM 179 O MET A 323 13.628 -3.438 -1.186 1.00 1.85 O ATOM 180 CB MET A 323 15.949 -1.514 0.011 1.00 2.84 C ATOM 181 CG MET A 323 16.742 -1.162 1.261 1.00 3.05 C ATOM 182 SD MET A 323 16.805 0.613 1.578 1.00 3.43 S ATOM 183 CE MET A 323 17.580 1.208 0.077 1.00 3.62 C ATOM 0 H MET A 323 17.843 -3.011 -0.572 1.00 2.62 H new ATOM 0 HA MET A 323 15.348 -3.452 0.701 1.00 2.46 H new ATOM 0 HB2 MET A 323 16.448 -1.086 -0.858 1.00 2.84 H new ATOM 0 HB3 MET A 323 14.964 -1.052 0.073 1.00 2.84 H new ATOM 0 HG2 MET A 323 16.297 -1.664 2.120 1.00 3.05 H new ATOM 0 HG3 MET A 323 17.758 -1.544 1.160 1.00 3.05 H new ATOM 0 HE1 MET A 323 17.718 2.287 0.142 1.00 3.62 H new ATOM 0 HE2 MET A 323 18.549 0.725 -0.048 1.00 3.62 H new ATOM 0 HE3 MET A 323 16.945 0.974 -0.778 1.00 3.62 H new ATOM 193 N ALA A 324 15.387 -3.325 -2.577 1.00 2.17 N ATOM 194 CA ALA A 324 14.608 -3.598 -3.781 1.00 1.99 C ATOM 195 C ALA A 324 14.112 -5.040 -3.787 1.00 1.65 C ATOM 196 O ALA A 324 12.972 -5.318 -4.171 1.00 1.44 O ATOM 197 CB ALA A 324 15.436 -3.310 -5.027 1.00 2.32 C ATOM 0 H ALA A 324 16.381 -3.170 -2.748 1.00 2.17 H new ATOM 0 HA ALA A 324 13.739 -2.940 -3.784 1.00 1.99 H new ATOM 0 HB1 ALA A 324 14.841 -3.519 -5.916 1.00 2.32 H new ATOM 0 HB2 ALA A 324 15.737 -2.262 -5.030 1.00 2.32 H new ATOM 0 HB3 ALA A 324 16.324 -3.943 -5.028 1.00 2.32 H new ATOM 203 N ALA A 325 14.974 -5.957 -3.364 1.00 1.69 N ATOM 204 CA ALA A 325 14.591 -7.352 -3.218 1.00 1.53 C ATOM 205 C ALA A 325 13.523 -7.489 -2.138 1.00 1.28 C ATOM 206 O ALA A 325 12.587 -8.279 -2.265 1.00 1.15 O ATOM 207 CB ALA A 325 15.805 -8.201 -2.878 1.00 1.81 C ATOM 0 H ALA A 325 15.943 -5.757 -3.116 1.00 1.69 H new ATOM 0 HA ALA A 325 14.180 -7.706 -4.163 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.502 -9.243 -2.772 1.00 1.81 H new ATOM 0 HB2 ALA A 325 16.543 -8.117 -3.676 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.242 -7.853 -1.942 1.00 1.81 H new ATOM 213 N ALA A 326 13.664 -6.680 -1.094 1.00 1.36 N ATOM 214 CA ALA A 326 12.722 -6.656 -0.001 1.00 1.30 C ATOM 215 C ALA A 326 11.377 -6.142 -0.485 1.00 1.05 C ATOM 216 O ALA A 326 10.359 -6.758 -0.238 1.00 0.93 O ATOM 217 CB ALA A 326 13.256 -5.778 1.122 1.00 1.68 C ATOM 0 H ALA A 326 14.439 -6.025 -0.989 1.00 1.36 H new ATOM 0 HA ALA A 326 12.589 -7.668 0.380 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.541 -5.764 1.944 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.207 -6.177 1.475 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.404 -4.763 0.752 1.00 1.68 H new ATOM 223 N GLN A 327 11.395 -5.029 -1.205 1.00 1.11 N ATOM 224 CA GLN A 327 10.174 -4.410 -1.710 1.00 1.11 C ATOM 225 C GLN A 327 9.368 -5.383 -2.554 1.00 0.86 C ATOM 226 O GLN A 327 8.149 -5.483 -2.411 1.00 0.84 O ATOM 227 CB GLN A 327 10.525 -3.205 -2.565 1.00 1.38 C ATOM 228 CG GLN A 327 9.363 -2.251 -2.816 1.00 1.63 C ATOM 229 CD GLN A 327 8.815 -1.623 -1.544 1.00 1.81 C ATOM 230 OE1 GLN A 327 8.830 -2.225 -0.474 1.00 2.56 O ATOM 231 NE2 GLN A 327 8.336 -0.396 -1.651 1.00 1.90 N ATOM 0 H GLN A 327 12.249 -4.531 -1.455 1.00 1.11 H new ATOM 0 HA GLN A 327 9.576 -4.108 -0.850 1.00 1.11 H new ATOM 0 HB2 GLN A 327 11.333 -2.655 -2.082 1.00 1.38 H new ATOM 0 HB3 GLN A 327 10.906 -3.554 -3.525 1.00 1.38 H new ATOM 0 HG2 GLN A 327 9.690 -1.461 -3.491 1.00 1.63 H new ATOM 0 HG3 GLN A 327 8.562 -2.790 -3.321 1.00 1.63 H new ATOM 0 HE21 GLN A 327 8.339 0.075 -2.556 1.00 1.90 H new ATOM 0 HE22 GLN A 327 7.964 0.080 -0.829 1.00 1.90 H new ATOM 240 N ALA A 328 10.059 -6.081 -3.450 1.00 0.82 N ATOM 241 CA ALA A 328 9.419 -7.059 -4.315 1.00 0.84 C ATOM 242 C ALA A 328 8.775 -8.155 -3.503 1.00 0.70 C ATOM 243 O ALA A 328 7.634 -8.536 -3.738 1.00 0.80 O ATOM 244 CB ALA A 328 10.422 -7.711 -5.242 1.00 0.98 C ATOM 0 H ALA A 328 11.064 -5.985 -3.594 1.00 0.82 H new ATOM 0 HA ALA A 328 8.668 -6.521 -4.893 1.00 0.84 H new ATOM 0 HB1 ALA A 328 9.913 -8.437 -5.876 1.00 0.98 H new ATOM 0 HB2 ALA A 328 10.890 -6.949 -5.866 1.00 0.98 H new ATOM 0 HB3 ALA A 328 11.187 -8.217 -4.653 1.00 0.98 H new ATOM 250 N ALA A 329 9.527 -8.660 -2.544 1.00 0.61 N ATOM 251 CA ALA A 329 9.114 -9.836 -1.826 1.00 0.69 C ATOM 252 C ALA A 329 8.102 -9.480 -0.746 1.00 0.55 C ATOM 253 O ALA A 329 7.030 -10.078 -0.639 1.00 0.63 O ATOM 254 CB ALA A 329 10.314 -10.555 -1.227 1.00 0.92 C ATOM 0 H ALA A 329 10.423 -8.271 -2.250 1.00 0.61 H new ATOM 0 HA ALA A 329 8.633 -10.513 -2.532 1.00 0.69 H new ATOM 0 HB1 ALA A 329 9.976 -11.441 -0.689 1.00 0.92 H new ATOM 0 HB2 ALA A 329 10.995 -10.852 -2.024 1.00 0.92 H new ATOM 0 HB3 ALA A 329 10.831 -9.887 -0.538 1.00 0.92 H new ATOM 260 N LEU A 330 8.460 -8.468 0.028 1.00 0.46 N ATOM 261 CA LEU A 330 7.634 -7.939 1.101 1.00 0.45 C ATOM 262 C LEU A 330 6.382 -7.267 0.548 1.00 0.41 C ATOM 263 O LEU A 330 5.517 -6.845 1.309 1.00 0.46 O ATOM 264 CB LEU A 330 8.445 -6.953 1.951 1.00 0.59 C ATOM 265 CG LEU A 330 9.373 -7.594 2.983 1.00 0.93 C ATOM 266 CD1 LEU A 330 10.153 -6.520 3.723 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.577 -8.441 3.963 1.00 1.59 C ATOM 0 H LEU A 330 9.351 -7.982 -0.074 1.00 0.46 H new ATOM 0 HA LEU A 330 7.316 -8.769 1.732 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.043 -6.330 1.285 1.00 0.59 H new ATOM 0 HB3 LEU A 330 7.752 -6.291 2.470 1.00 0.59 H new ATOM 0 HG LEU A 330 10.077 -8.243 2.462 1.00 0.93 H new ATOM 0 HD11 LEU A 330 10.811 -6.988 4.456 1.00 1.52 H new ATOM 0 HD12 LEU A 330 10.750 -5.949 3.012 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.459 -5.852 4.233 1.00 1.52 H new ATOM 0 HD21 LEU A 330 9.254 -8.889 4.690 1.00 1.59 H new ATOM 0 HD22 LEU A 330 7.852 -7.813 4.481 1.00 1.59 H new ATOM 0 HD23 LEU A 330 8.053 -9.229 3.421 1.00 1.59 H new ATOM 279 N GLN A 331 6.311 -7.146 -0.777 1.00 0.46 N ATOM 280 CA GLN A 331 5.162 -6.552 -1.458 1.00 0.59 C ATOM 281 C GLN A 331 3.849 -7.197 -0.997 1.00 0.59 C ATOM 282 O GLN A 331 2.793 -6.571 -1.022 1.00 0.70 O ATOM 283 CB GLN A 331 5.316 -6.704 -2.973 1.00 0.77 C ATOM 284 CG GLN A 331 4.361 -5.836 -3.779 1.00 1.46 C ATOM 285 CD GLN A 331 4.563 -4.349 -3.531 1.00 1.83 C ATOM 286 OE1 GLN A 331 3.623 -3.562 -3.615 1.00 2.27 O ATOM 287 NE2 GLN A 331 5.792 -3.953 -3.224 1.00 2.41 N ATOM 0 H GLN A 331 7.049 -7.457 -1.409 1.00 0.46 H new ATOM 0 HA GLN A 331 5.127 -5.493 -1.202 1.00 0.59 H new ATOM 0 HB2 GLN A 331 6.340 -6.455 -3.251 1.00 0.77 H new ATOM 0 HB3 GLN A 331 5.157 -7.748 -3.242 1.00 0.77 H new ATOM 0 HG2 GLN A 331 4.496 -6.044 -4.840 1.00 1.46 H new ATOM 0 HG3 GLN A 331 3.335 -6.105 -3.530 1.00 1.46 H new ATOM 0 HE21 GLN A 331 6.548 -4.636 -3.163 1.00 2.41 H new ATOM 0 HE22 GLN A 331 5.981 -2.966 -3.049 1.00 2.41 H new ATOM 296 N SER A 332 3.928 -8.451 -0.577 1.00 0.53 N ATOM 297 CA SER A 332 2.780 -9.151 -0.019 1.00 0.59 C ATOM 298 C SER A 332 2.283 -8.446 1.246 1.00 0.58 C ATOM 299 O SER A 332 1.086 -8.211 1.411 1.00 0.67 O ATOM 300 CB SER A 332 3.156 -10.605 0.288 1.00 0.63 C ATOM 301 OG SER A 332 2.047 -11.332 0.789 1.00 1.46 O ATOM 0 H SER A 332 4.782 -9.008 -0.613 1.00 0.53 H new ATOM 0 HA SER A 332 1.973 -9.143 -0.751 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.528 -11.085 -0.617 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.966 -10.627 1.017 1.00 0.63 H new ATOM 0 HG SER A 332 2.318 -12.256 0.974 1.00 1.46 H new ATOM 307 N SER A 333 3.217 -8.107 2.120 1.00 0.54 N ATOM 308 CA SER A 333 2.907 -7.516 3.414 1.00 0.62 C ATOM 309 C SER A 333 2.760 -5.993 3.309 1.00 0.65 C ATOM 310 O SER A 333 1.847 -5.398 3.884 1.00 0.70 O ATOM 311 CB SER A 333 4.015 -7.873 4.406 1.00 0.74 C ATOM 312 OG SER A 333 4.387 -9.239 4.280 1.00 1.39 O ATOM 0 H SER A 333 4.215 -8.234 1.952 1.00 0.54 H new ATOM 0 HA SER A 333 1.955 -7.916 3.763 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.883 -7.238 4.232 1.00 0.74 H new ATOM 0 HB3 SER A 333 3.675 -7.677 5.423 1.00 0.74 H new ATOM 0 HG SER A 333 5.098 -9.445 4.922 1.00 1.39 H new ATOM 318 N TRP A 334 3.671 -5.370 2.573 1.00 0.67 N ATOM 319 CA TRP A 334 3.739 -3.916 2.483 1.00 0.77 C ATOM 320 C TRP A 334 2.790 -3.396 1.404 1.00 0.76 C ATOM 321 O TRP A 334 2.095 -2.398 1.603 1.00 0.83 O ATOM 322 CB TRP A 334 5.183 -3.506 2.161 1.00 0.89 C ATOM 323 CG TRP A 334 5.399 -2.026 2.039 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.780 -1.171 3.031 1.00 1.68 C ATOM 325 CD2 TRP A 334 5.258 -1.228 0.855 1.00 1.63 C ATOM 326 NE1 TRP A 334 5.883 0.108 2.539 1.00 2.16 N ATOM 327 CE2 TRP A 334 5.565 0.101 1.208 1.00 2.03 C ATOM 328 CE3 TRP A 334 4.904 -1.508 -0.467 1.00 2.43 C ATOM 329 CZ2 TRP A 334 5.528 1.145 0.285 1.00 2.72 C ATOM 330 CZ3 TRP A 334 4.862 -0.472 -1.378 1.00 3.17 C ATOM 331 CH2 TRP A 334 5.175 0.841 -1.001 1.00 3.18 C ATOM 0 H TRP A 334 4.381 -5.855 2.024 1.00 0.67 H new ATOM 0 HA TRP A 334 3.435 -3.482 3.435 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.839 -3.893 2.941 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.482 -3.982 1.227 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.973 -1.457 4.054 1.00 1.68 H new ATOM 0 HE1 TRP A 334 6.153 0.930 3.079 1.00 2.16 H new ATOM 0 HE3 TRP A 334 4.667 -2.517 -0.771 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 5.769 2.157 0.575 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 4.583 -0.677 -2.401 1.00 3.17 H new ATOM 0 HH2 TRP A 334 5.137 1.628 -1.740 1.00 3.18 H new ATOM 342 N GLY A 335 2.741 -4.098 0.280 1.00 0.74 N ATOM 343 CA GLY A 335 1.918 -3.673 -0.838 1.00 0.83 C ATOM 344 C GLY A 335 0.440 -3.702 -0.518 1.00 0.76 C ATOM 345 O GLY A 335 -0.341 -2.931 -1.085 1.00 0.80 O ATOM 0 H GLY A 335 3.261 -4.961 0.121 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.203 -2.662 -1.130 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.113 -4.319 -1.694 1.00 0.83 H new ATOM 349 N MET A 336 0.052 -4.588 0.401 1.00 0.70 N ATOM 350 CA MET A 336 -1.348 -4.725 0.791 1.00 0.70 C ATOM 351 C MET A 336 -1.890 -3.420 1.364 1.00 0.61 C ATOM 352 O MET A 336 -3.090 -3.187 1.337 1.00 0.61 O ATOM 353 CB MET A 336 -1.534 -5.847 1.817 1.00 0.80 C ATOM 354 CG MET A 336 -3.000 -6.148 2.129 1.00 0.93 C ATOM 355 SD MET A 336 -3.867 -6.921 0.750 1.00 1.58 S ATOM 356 CE MET A 336 -2.930 -8.436 0.567 1.00 2.31 C ATOM 0 H MET A 336 0.688 -5.220 0.887 1.00 0.70 H new ATOM 0 HA MET A 336 -1.906 -4.977 -0.111 1.00 0.70 H new ATOM 0 HB2 MET A 336 -1.056 -6.753 1.444 1.00 0.80 H new ATOM 0 HB3 MET A 336 -1.023 -5.574 2.740 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.054 -6.803 2.998 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.507 -5.221 2.396 1.00 0.93 H new ATOM 0 HE1 MET A 336 -3.532 -9.175 0.038 1.00 2.31 H new ATOM 0 HE2 MET A 336 -2.021 -8.235 -0.000 1.00 2.31 H new ATOM 0 HE3 MET A 336 -2.665 -8.821 1.552 1.00 2.31 H new ATOM 366 N MET A 337 -1.008 -2.566 1.876 1.00 0.61 N ATOM 367 CA MET A 337 -1.435 -1.278 2.415 1.00 0.62 C ATOM 368 C MET A 337 -2.133 -0.457 1.334 1.00 0.56 C ATOM 369 O MET A 337 -3.153 0.184 1.586 1.00 0.59 O ATOM 370 CB MET A 337 -0.248 -0.502 2.989 1.00 0.74 C ATOM 371 CG MET A 337 0.383 -1.173 4.199 1.00 1.19 C ATOM 372 SD MET A 337 -0.775 -1.360 5.574 1.00 2.22 S ATOM 373 CE MET A 337 0.235 -2.269 6.744 1.00 3.15 C ATOM 0 H MET A 337 -0.004 -2.739 1.929 1.00 0.61 H new ATOM 0 HA MET A 337 -2.140 -1.466 3.225 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.508 -0.383 2.213 1.00 0.74 H new ATOM 0 HB3 MET A 337 -0.578 0.498 3.268 1.00 0.74 H new ATOM 0 HG2 MET A 337 0.760 -2.154 3.910 1.00 1.19 H new ATOM 0 HG3 MET A 337 1.241 -0.587 4.529 1.00 1.19 H new ATOM 0 HE1 MET A 337 -0.341 -2.462 7.649 1.00 3.15 H new ATOM 0 HE2 MET A 337 0.542 -3.216 6.301 1.00 3.15 H new ATOM 0 HE3 MET A 337 1.119 -1.682 6.995 1.00 3.15 H new ATOM 383 N GLY A 338 -1.587 -0.499 0.125 1.00 0.60 N ATOM 384 CA GLY A 338 -2.211 0.172 -1.002 1.00 0.66 C ATOM 385 C GLY A 338 -3.344 -0.631 -1.582 1.00 0.57 C ATOM 386 O GLY A 338 -4.336 -0.064 -2.021 1.00 0.58 O ATOM 0 H GLY A 338 -0.720 -0.988 -0.097 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.583 1.146 -0.683 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.464 0.354 -1.774 1.00 0.66 H new ATOM 390 N MET A 339 -3.216 -1.949 -1.572 1.00 0.58 N ATOM 391 CA MET A 339 -4.278 -2.808 -2.085 1.00 0.66 C ATOM 392 C MET A 339 -5.524 -2.642 -1.242 1.00 0.54 C ATOM 393 O MET A 339 -6.634 -2.517 -1.760 1.00 0.62 O ATOM 394 CB MET A 339 -3.870 -4.269 -2.029 1.00 0.85 C ATOM 395 CG MET A 339 -2.569 -4.581 -2.744 1.00 1.24 C ATOM 396 SD MET A 339 -2.128 -6.326 -2.634 1.00 2.05 S ATOM 397 CE MET A 339 -3.556 -7.091 -3.404 1.00 2.55 C ATOM 0 H MET A 339 -2.398 -2.445 -1.219 1.00 0.58 H new ATOM 0 HA MET A 339 -4.468 -2.519 -3.119 1.00 0.66 H new ATOM 0 HB2 MET A 339 -3.778 -4.569 -0.985 1.00 0.85 H new ATOM 0 HB3 MET A 339 -4.665 -4.873 -2.466 1.00 0.85 H new ATOM 0 HG2 MET A 339 -2.656 -4.296 -3.793 1.00 1.24 H new ATOM 0 HG3 MET A 339 -1.768 -3.979 -2.315 1.00 1.24 H new ATOM 0 HE1 MET A 339 -3.297 -8.098 -3.732 1.00 2.55 H new ATOM 0 HE2 MET A 339 -4.373 -7.143 -2.684 1.00 2.55 H new ATOM 0 HE3 MET A 339 -3.867 -6.498 -4.264 1.00 2.55 H new ATOM 407 N LEU A 340 -5.315 -2.611 0.063 1.00 0.46 N ATOM 408 CA LEU A 340 -6.404 -2.501 1.007 1.00 0.58 C ATOM 409 C LEU A 340 -7.057 -1.130 0.867 1.00 0.56 C ATOM 410 O LEU A 340 -8.280 -1.010 0.795 1.00 0.69 O ATOM 411 CB LEU A 340 -5.887 -2.718 2.442 1.00 0.73 C ATOM 412 CG LEU A 340 -6.952 -2.979 3.523 1.00 1.13 C ATOM 413 CD1 LEU A 340 -6.301 -3.596 4.750 1.00 1.60 C ATOM 414 CD2 LEU A 340 -7.671 -1.698 3.919 1.00 1.76 C ATOM 0 H LEU A 340 -4.391 -2.661 0.492 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.148 -3.269 0.797 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.197 -3.562 2.432 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -5.312 -1.839 2.734 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.688 -3.667 3.107 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -7.059 -3.778 5.511 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -5.828 -4.539 4.476 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -5.548 -2.914 5.144 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -8.415 -1.920 4.684 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -6.949 -0.982 4.312 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -8.164 -1.273 3.045 1.00 1.76 H new ATOM 426 N ALA A 341 -6.215 -0.099 0.806 1.00 0.52 N ATOM 427 CA ALA A 341 -6.678 1.278 0.698 1.00 0.69 C ATOM 428 C ALA A 341 -7.355 1.535 -0.644 1.00 0.70 C ATOM 429 O ALA A 341 -8.314 2.302 -0.721 1.00 0.88 O ATOM 430 CB ALA A 341 -5.518 2.245 0.895 1.00 0.82 C ATOM 0 H ALA A 341 -5.200 -0.197 0.830 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.416 1.443 1.483 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.880 3.270 0.811 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -5.082 2.094 1.882 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.760 2.065 0.132 1.00 0.82 H new ATOM 436 N SER A 342 -6.859 0.897 -1.703 1.00 0.64 N ATOM 437 CA SER A 342 -7.435 1.078 -3.028 1.00 0.84 C ATOM 438 C SER A 342 -8.811 0.417 -3.110 1.00 0.86 C ATOM 439 O SER A 342 -9.772 1.007 -3.612 1.00 1.04 O ATOM 440 CB SER A 342 -6.512 0.516 -4.115 1.00 1.02 C ATOM 441 OG SER A 342 -5.267 1.195 -4.125 1.00 1.61 O ATOM 0 H SER A 342 -6.066 0.256 -1.667 1.00 0.64 H new ATOM 0 HA SER A 342 -7.548 2.149 -3.199 1.00 0.84 H new ATOM 0 HB2 SER A 342 -6.349 -0.548 -3.944 1.00 1.02 H new ATOM 0 HB3 SER A 342 -6.991 0.613 -5.089 1.00 1.02 H new ATOM 0 HG SER A 342 -4.814 1.060 -3.266 1.00 1.61 H new ATOM 447 N GLN A 343 -8.899 -0.808 -2.595 1.00 0.77 N ATOM 448 CA GLN A 343 -10.152 -1.557 -2.582 1.00 0.94 C ATOM 449 C GLN A 343 -11.171 -0.883 -1.666 1.00 1.02 C ATOM 450 O GLN A 343 -12.370 -0.902 -1.952 1.00 1.20 O ATOM 451 CB GLN A 343 -9.899 -3.001 -2.127 1.00 1.05 C ATOM 452 CG GLN A 343 -11.160 -3.849 -2.013 1.00 1.73 C ATOM 453 CD GLN A 343 -11.919 -3.966 -3.324 1.00 2.21 C ATOM 454 OE1 GLN A 343 -11.332 -3.939 -4.405 1.00 2.89 O ATOM 455 NE2 GLN A 343 -13.230 -4.103 -3.237 1.00 2.59 N ATOM 0 H GLN A 343 -8.111 -1.305 -2.179 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.558 -1.573 -3.594 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -9.216 -3.478 -2.830 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -9.398 -2.983 -1.159 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -10.890 -4.846 -1.666 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -11.815 -3.415 -1.258 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -13.681 -4.121 -2.322 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -13.791 -4.191 -4.084 1.00 2.59 H new ATOM 464 N GLN A 344 -10.682 -0.280 -0.577 1.00 1.01 N ATOM 465 CA GLN A 344 -11.535 0.406 0.392 1.00 1.26 C ATOM 466 C GLN A 344 -12.396 -0.597 1.154 1.00 1.63 C ATOM 467 O GLN A 344 -13.344 -1.174 0.614 1.00 2.07 O ATOM 468 CB GLN A 344 -12.390 1.475 -0.296 1.00 1.72 C ATOM 469 CG GLN A 344 -11.572 2.661 -0.782 1.00 1.96 C ATOM 470 CD GLN A 344 -12.310 3.527 -1.780 1.00 2.53 C ATOM 471 OE1 GLN A 344 -12.114 3.247 -3.060 1.00 3.07 O flip ATOM 472 NE2 GLN A 344 -13.031 4.450 -1.406 1.00 3.10 N flip ATOM 0 H GLN A 344 -9.689 -0.255 -0.346 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.898 0.913 1.116 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -12.911 1.028 -1.142 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -13.153 1.826 0.399 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -11.284 3.270 0.075 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -10.652 2.297 -1.238 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -13.154 4.630 -0.409 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -13.507 5.036 -2.092 1.00 3.10 H new ATOM 481 N ASN A 345 -12.065 -0.776 2.431 1.00 2.06 N ATOM 482 CA ASN A 345 -12.652 -1.822 3.254 1.00 2.81 C ATOM 483 C ASN A 345 -14.125 -1.549 3.505 1.00 3.10 C ATOM 484 O ASN A 345 -14.902 -2.469 3.771 1.00 3.64 O ATOM 485 CB ASN A 345 -11.905 -1.908 4.580 1.00 3.55 C ATOM 486 CG ASN A 345 -12.057 -3.262 5.245 1.00 4.38 C ATOM 487 OD1 ASN A 345 -12.186 -4.285 4.574 1.00 4.89 O ATOM 488 ND2 ASN A 345 -12.045 -3.282 6.569 1.00 4.81 N ATOM 0 H ASN A 345 -11.382 -0.198 2.921 1.00 2.06 H new ATOM 0 HA ASN A 345 -12.566 -2.771 2.725 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -10.847 -1.706 4.411 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -12.274 -1.133 5.252 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -12.145 -4.167 7.067 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -11.936 -2.413 7.091 1.00 4.81 H new ATOM 495 N GLN A 346 -14.501 -0.279 3.422 1.00 3.07 N ATOM 496 CA GLN A 346 -15.900 0.112 3.579 1.00 3.79 C ATOM 497 C GLN A 346 -16.712 -0.361 2.381 1.00 3.92 C ATOM 498 O GLN A 346 -17.858 -0.783 2.515 1.00 4.60 O ATOM 499 CB GLN A 346 -16.043 1.627 3.729 1.00 4.24 C ATOM 500 CG GLN A 346 -15.255 2.206 4.890 1.00 4.90 C ATOM 501 CD GLN A 346 -15.625 3.646 5.174 1.00 5.50 C ATOM 502 OE1 GLN A 346 -16.506 3.918 5.986 1.00 6.02 O ATOM 503 NE2 GLN A 346 -14.973 4.576 4.492 1.00 5.81 N ATOM 0 H GLN A 346 -13.861 0.496 3.248 1.00 3.07 H new ATOM 0 HA GLN A 346 -16.277 -0.358 4.487 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -15.717 2.106 2.806 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -17.097 1.872 3.860 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -15.432 1.605 5.782 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -14.189 2.144 4.670 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -14.248 4.307 3.827 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -15.196 5.561 4.632 1.00 5.81 H new ATOM 512 N SER A 347 -16.082 -0.282 1.204 1.00 3.53 N ATOM 513 CA SER A 347 -16.658 -0.776 -0.048 1.00 4.14 C ATOM 514 C SER A 347 -17.973 -0.078 -0.399 1.00 4.67 C ATOM 515 O SER A 347 -18.726 -0.558 -1.247 1.00 5.05 O ATOM 516 CB SER A 347 -16.868 -2.289 0.040 1.00 4.47 C ATOM 517 OG SER A 347 -15.696 -2.938 0.511 1.00 4.68 O ATOM 0 H SER A 347 -15.155 0.128 1.094 1.00 3.53 H new ATOM 0 HA SER A 347 -15.952 -0.548 -0.847 1.00 4.14 H new ATOM 0 HB2 SER A 347 -17.702 -2.506 0.708 1.00 4.47 H new ATOM 0 HB3 SER A 347 -17.136 -2.680 -0.941 1.00 4.47 H new ATOM 0 HG SER A 347 -14.934 -2.325 0.446 1.00 4.68 H new ATOM 523 N GLY A 348 -18.239 1.055 0.249 1.00 5.14 N ATOM 524 CA GLY A 348 -19.447 1.811 -0.027 1.00 6.09 C ATOM 525 C GLY A 348 -19.523 2.289 -1.466 1.00 6.66 C ATOM 526 O GLY A 348 -20.523 2.046 -2.144 1.00 7.18 O ATOM 0 H GLY A 348 -17.635 1.463 0.963 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -20.317 1.191 0.192 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -19.493 2.672 0.640 1.00 6.09 H new ATOM 530 N PRO A 349 -18.489 2.994 -1.958 1.00 6.87 N ATOM 531 CA PRO A 349 -18.406 3.377 -3.367 1.00 7.59 C ATOM 532 C PRO A 349 -18.352 2.156 -4.284 1.00 7.24 C ATOM 533 O PRO A 349 -17.478 1.294 -4.146 1.00 6.93 O ATOM 534 CB PRO A 349 -17.097 4.175 -3.459 1.00 8.09 C ATOM 535 CG PRO A 349 -16.323 3.791 -2.244 1.00 7.65 C ATOM 536 CD PRO A 349 -17.344 3.508 -1.185 1.00 6.81 C ATOM 0 HA PRO A 349 -19.279 3.946 -3.686 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -16.549 3.931 -4.369 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -17.290 5.248 -3.481 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -15.704 2.914 -2.435 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -15.653 4.594 -1.937 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -16.984 2.776 -0.462 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -17.605 4.406 -0.626 1.00 6.81 H new ATOM 544 N SER A 350 -19.303 2.081 -5.205 1.00 7.62 N ATOM 545 CA SER A 350 -19.352 0.998 -6.174 1.00 7.69 C ATOM 546 C SER A 350 -18.244 1.145 -7.211 1.00 8.06 C ATOM 547 O SER A 350 -17.818 0.168 -7.833 1.00 8.21 O ATOM 548 CB SER A 350 -20.722 0.980 -6.844 1.00 8.35 C ATOM 549 OG SER A 350 -21.147 2.301 -7.144 1.00 8.86 O ATOM 0 H SER A 350 -20.055 2.763 -5.300 1.00 7.62 H new ATOM 0 HA SER A 350 -19.195 0.051 -5.657 1.00 7.69 H new ATOM 0 HB2 SER A 350 -20.678 0.389 -7.759 1.00 8.35 H new ATOM 0 HB3 SER A 350 -21.448 0.498 -6.188 1.00 8.35 H new ATOM 0 HG SER A 350 -22.027 2.272 -7.575 1.00 8.86 H new ATOM 555 N GLY A 351 -17.777 2.371 -7.386 1.00 8.46 N ATOM 556 CA GLY A 351 -16.690 2.635 -8.297 1.00 9.04 C ATOM 557 C GLY A 351 -16.174 4.046 -8.145 1.00 9.55 C ATOM 558 O GLY A 351 -16.872 4.906 -7.608 1.00 10.03 O ATOM 0 H GLY A 351 -18.138 3.195 -6.906 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -15.880 1.928 -8.114 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -17.026 2.477 -9.322 1.00 9.04 H new ATOM 562 N ASN A 352 -14.948 4.282 -8.590 1.00 9.68 N ATOM 563 CA ASN A 352 -14.359 5.613 -8.542 1.00 10.39 C ATOM 564 C ASN A 352 -14.118 6.133 -9.951 1.00 10.64 C ATOM 565 O ASN A 352 -14.665 7.164 -10.344 1.00 11.07 O ATOM 566 CB ASN A 352 -13.047 5.609 -7.749 1.00 10.83 C ATOM 567 CG ASN A 352 -13.252 5.490 -6.248 1.00 10.91 C ATOM 568 OD1 ASN A 352 -14.353 6.033 -5.746 1.00 11.08 O flip ATOM 569 ND2 ASN A 352 -12.422 4.914 -5.541 1.00 11.02 N flip ATOM 0 H ASN A 352 -14.340 3.567 -8.990 1.00 9.68 H new ATOM 0 HA ASN A 352 -15.061 6.274 -8.033 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -12.427 4.781 -8.091 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -12.499 6.527 -7.962 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -11.587 4.508 -5.963 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -12.571 4.843 -4.534 1.00 11.02 H new ATOM 576 N ASN A 353 -13.312 5.403 -10.714 1.00 10.57 N ATOM 577 CA ASN A 353 -12.969 5.812 -12.073 1.00 11.04 C ATOM 578 C ASN A 353 -13.175 4.668 -13.055 1.00 11.52 C ATOM 579 O ASN A 353 -14.005 4.757 -13.960 1.00 11.95 O ATOM 580 CB ASN A 353 -11.518 6.303 -12.141 1.00 11.31 C ATOM 581 CG ASN A 353 -11.094 6.692 -13.549 1.00 11.74 C ATOM 582 OD1 ASN A 353 -10.590 5.868 -14.311 1.00 11.95 O ATOM 583 ND2 ASN A 353 -11.287 7.952 -13.903 1.00 12.07 N ATOM 0 H ASN A 353 -12.884 4.526 -10.416 1.00 10.57 H new ATOM 0 HA ASN A 353 -13.632 6.631 -12.351 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -11.398 7.161 -11.480 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -10.856 5.520 -11.770 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -11.015 8.268 -14.834 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -11.708 8.608 -13.245 1.00 12.07 H new ATOM 590 N GLN A 354 -12.422 3.593 -12.873 1.00 11.62 N ATOM 591 CA GLN A 354 -12.484 2.465 -13.784 1.00 12.24 C ATOM 592 C GLN A 354 -12.584 1.161 -13.005 1.00 12.69 C ATOM 593 O GLN A 354 -11.892 0.969 -12.007 1.00 12.83 O ATOM 594 CB GLN A 354 -11.253 2.452 -14.691 1.00 12.40 C ATOM 595 CG GLN A 354 -11.345 1.440 -15.820 1.00 12.50 C ATOM 596 CD GLN A 354 -12.595 1.628 -16.656 1.00 12.74 C ATOM 597 OE1 GLN A 354 -13.637 1.028 -16.382 1.00 13.09 O ATOM 598 NE2 GLN A 354 -12.506 2.477 -17.666 1.00 12.76 N ATOM 0 H GLN A 354 -11.762 3.480 -12.103 1.00 11.62 H new ATOM 0 HA GLN A 354 -13.374 2.565 -14.406 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -11.113 3.446 -15.115 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -10.370 2.235 -14.090 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -10.466 1.529 -16.458 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -11.336 0.432 -15.404 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -11.624 2.952 -17.857 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -13.320 2.657 -18.254 1.00 12.76 H new ATOM 607 N ASN A 355 -13.454 0.275 -13.463 1.00 13.09 N ATOM 608 CA ASN A 355 -13.690 -0.987 -12.776 1.00 13.71 C ATOM 609 C ASN A 355 -13.397 -2.168 -13.690 1.00 14.13 C ATOM 610 O ASN A 355 -12.537 -2.997 -13.398 1.00 14.46 O ATOM 611 CB ASN A 355 -15.142 -1.084 -12.281 1.00 14.16 C ATOM 612 CG ASN A 355 -15.447 -0.206 -11.076 1.00 14.18 C ATOM 613 OD1 ASN A 355 -14.872 0.869 -10.900 1.00 14.03 O ATOM 614 ND2 ASN A 355 -16.359 -0.667 -10.233 1.00 14.53 N ATOM 0 H ASN A 355 -14.009 0.406 -14.308 1.00 13.09 H new ATOM 0 HA ASN A 355 -13.017 -1.018 -11.920 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -15.812 -0.809 -13.096 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -15.359 -2.121 -12.026 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -16.607 -0.127 -9.404 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -16.814 -1.562 -10.413 1.00 14.53 H new ATOM 621 N GLN A 356 -14.112 -2.235 -14.807 1.00 14.28 N ATOM 622 CA GLN A 356 -14.038 -3.389 -15.691 1.00 14.82 C ATOM 623 C GLN A 356 -13.249 -3.061 -16.954 1.00 15.14 C ATOM 624 O GLN A 356 -13.821 -2.845 -18.027 1.00 15.47 O ATOM 625 CB GLN A 356 -15.450 -3.861 -16.046 1.00 15.22 C ATOM 626 CG GLN A 356 -16.342 -4.040 -14.825 1.00 15.23 C ATOM 627 CD GLN A 356 -17.758 -4.471 -15.160 1.00 15.68 C ATOM 628 OE1 GLN A 356 -18.245 -4.101 -16.335 1.00 15.74 O flip ATOM 629 NE2 GLN A 356 -18.415 -5.137 -14.363 1.00 16.15 N flip ATOM 0 H GLN A 356 -14.749 -1.503 -15.121 1.00 14.28 H new ATOM 0 HA GLN A 356 -13.515 -4.192 -15.171 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -15.909 -3.140 -16.722 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -15.386 -4.807 -16.584 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -15.893 -4.781 -14.164 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -16.379 -3.101 -14.273 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -18.009 -5.405 -13.466 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -19.366 -5.422 -14.598 1.00 16.15 H new ATOM 638 N GLY A 357 -11.938 -3.013 -16.811 1.00 15.18 N ATOM 639 CA GLY A 357 -11.078 -2.742 -17.940 1.00 15.65 C ATOM 640 C GLY A 357 -9.922 -1.838 -17.573 1.00 15.86 C ATOM 641 O GLY A 357 -9.837 -1.372 -16.436 1.00 15.64 O ATOM 0 H GLY A 357 -11.450 -3.158 -15.927 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -10.691 -3.682 -18.334 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -11.661 -2.279 -18.736 1.00 15.65 H new ATOM 645 N ASN A 358 -9.032 -1.602 -18.540 1.00 16.44 N ATOM 646 CA ASN A 358 -7.867 -0.731 -18.348 1.00 16.86 C ATOM 647 C ASN A 358 -6.994 -1.209 -17.189 1.00 17.18 C ATOM 648 O ASN A 358 -6.356 -0.409 -16.507 1.00 17.48 O ATOM 649 CB ASN A 358 -8.310 0.718 -18.105 1.00 17.22 C ATOM 650 CG ASN A 358 -8.982 1.336 -19.314 1.00 17.53 C ATOM 651 OD1 ASN A 358 -10.193 1.220 -19.495 1.00 17.56 O ATOM 652 ND2 ASN A 358 -8.205 2.001 -20.154 1.00 17.90 N ATOM 0 H ASN A 358 -9.097 -2.006 -19.474 1.00 16.44 H new ATOM 0 HA ASN A 358 -7.273 -0.775 -19.261 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -8.997 0.746 -17.259 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -7.442 1.318 -17.831 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -8.607 2.438 -20.984 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -7.204 2.077 -19.972 1.00 17.90 H new ATOM 659 N MET A 359 -6.962 -2.517 -16.984 1.00 17.25 N ATOM 660 CA MET A 359 -6.219 -3.100 -15.877 1.00 17.69 C ATOM 661 C MET A 359 -5.335 -4.234 -16.375 1.00 18.15 C ATOM 662 O MET A 359 -5.797 -5.122 -17.095 1.00 18.48 O ATOM 663 CB MET A 359 -7.190 -3.607 -14.808 1.00 17.88 C ATOM 664 CG MET A 359 -6.506 -4.197 -13.586 1.00 17.66 C ATOM 665 SD MET A 359 -7.677 -4.728 -12.320 1.00 17.52 S ATOM 666 CE MET A 359 -8.494 -3.179 -11.944 1.00 17.09 C ATOM 0 H MET A 359 -7.444 -3.197 -17.572 1.00 17.25 H new ATOM 0 HA MET A 359 -5.580 -2.335 -15.436 1.00 17.69 H new ATOM 0 HB2 MET A 359 -7.830 -2.783 -14.492 1.00 17.88 H new ATOM 0 HB3 MET A 359 -7.839 -4.363 -15.250 1.00 17.88 H new ATOM 0 HG2 MET A 359 -5.897 -5.048 -13.891 1.00 17.66 H new ATOM 0 HG3 MET A 359 -5.829 -3.456 -13.161 1.00 17.66 H new ATOM 0 HE1 MET A 359 -8.944 -3.236 -10.953 1.00 17.09 H new ATOM 0 HE2 MET A 359 -7.765 -2.369 -11.966 1.00 17.09 H new ATOM 0 HE3 MET A 359 -9.271 -2.988 -12.685 1.00 17.09 H new ATOM 676 N GLN A 360 -4.064 -4.196 -16.012 1.00 18.31 N ATOM 677 CA GLN A 360 -3.126 -5.229 -16.413 1.00 18.89 C ATOM 678 C GLN A 360 -2.174 -5.527 -15.263 1.00 19.30 C ATOM 679 O GLN A 360 -2.572 -6.279 -14.352 1.00 19.39 O ATOM 680 CB GLN A 360 -2.348 -4.797 -17.660 1.00 19.26 C ATOM 681 CG GLN A 360 -1.424 -5.875 -18.207 1.00 19.39 C ATOM 682 CD GLN A 360 -0.673 -5.441 -19.453 1.00 19.60 C ATOM 683 OE1 GLN A 360 -1.168 -4.636 -20.246 1.00 19.85 O ATOM 684 NE2 GLN A 360 0.529 -5.966 -19.630 1.00 19.63 N ATOM 685 OXT GLN A 360 -1.049 -4.994 -15.261 1.00 19.65 O ATOM 0 H GLN A 360 -3.657 -3.457 -15.438 1.00 18.31 H new ATOM 0 HA GLN A 360 -3.679 -6.135 -16.660 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -3.056 -4.508 -18.437 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -1.758 -3.912 -17.421 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -0.706 -6.155 -17.436 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -2.010 -6.766 -18.435 1.00 19.39 H new ATOM 0 HE21 GLN A 360 0.901 -6.629 -18.950 1.00 19.63 H new ATOM 0 HE22 GLN A 360 1.083 -5.708 -20.447 1.00 19.63 H new TER 694 GLN A 360