USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=13 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 353 ASN : amide:sc= -0.036 X(o=-0.069,f=0.1) USER MOD Set 1.2: A 355 ASN : amide:sc= -0.0331 X(o=-0.069,f=0.1) USER MOD Set 2.1: A 346 GLN : amide:sc= -0.083 K(o=-0.083,f=-0.69) USER MOD Set 2.2: A 350 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 331 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Set 3.2: A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc=-0.000936 K(o=-0.00094,f=-1) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl 180:sc=-0.00332 (180deg=-0.00332) USER MOD Single : A 327 GLN : amide:sc= 0 X(o=0,f=0) 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 -153:sc= -0.341 (180deg=-1.22) USER MOD Single : A 337 MET CE :methyl 157:sc= -0.16 (180deg=-0.801) USER MOD Single : A 342 SER OG : rot 71:sc= 1.26 USER MOD Single : A 343 GLN :FLIP amide:sc= -0.0439 F(o=-1.1,f=-0.044) USER MOD Single : A 344 GLN :FLIP amide:sc= -0.17 F(o=-1.2,f=-0.17) USER MOD Single : A 345 ASN :FLIP amide:sc= -0.727 F(o=-1.4!,f=-0.73) USER MOD Single : A 347 SER OG : rot 66:sc= 0.704 USER MOD Single : A 352 ASN : amide:sc= -0.369 K(o=-0.37,f=-4.1!) USER MOD Single : A 354 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 356 GLN :FLIP amide:sc= -0.195 F(o=-3.1!,f=-0.19) USER MOD Single : A 358 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= 0.0736 X(o=0.074,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 26.173 2.076 -12.772 1.00 17.40 N ATOM 2 CA MET A 311 27.379 1.233 -12.601 1.00 17.36 C ATOM 3 C MET A 311 27.831 1.231 -11.143 1.00 16.99 C ATOM 4 O MET A 311 28.779 0.535 -10.781 1.00 17.05 O ATOM 5 CB MET A 311 28.523 1.756 -13.477 1.00 17.89 C ATOM 6 CG MET A 311 28.180 1.851 -14.954 1.00 18.43 C ATOM 7 SD MET A 311 29.528 2.555 -15.926 1.00 18.82 S ATOM 8 CE MET A 311 28.799 2.557 -17.562 1.00 19.56 C ATOM 0 HA MET A 311 27.124 0.217 -12.901 1.00 17.36 H new ATOM 0 HB2 MET A 311 28.818 2.742 -13.119 1.00 17.89 H new ATOM 0 HB3 MET A 311 29.387 1.102 -13.357 1.00 17.89 H new ATOM 0 HG2 MET A 311 27.941 0.858 -15.334 1.00 18.43 H new ATOM 0 HG3 MET A 311 27.287 2.463 -15.079 1.00 18.43 H new ATOM 0 HE1 MET A 311 29.513 2.965 -18.278 1.00 19.56 H new ATOM 0 HE2 MET A 311 28.542 1.537 -17.847 1.00 19.56 H new ATOM 0 HE3 MET A 311 27.898 3.170 -17.558 1.00 19.56 H new ATOM 20 N ASN A 312 27.137 2.018 -10.312 1.00 16.75 N ATOM 21 CA ASN A 312 27.518 2.217 -8.911 1.00 16.58 C ATOM 22 C ASN A 312 28.915 2.824 -8.815 1.00 16.05 C ATOM 23 O ASN A 312 29.606 2.677 -7.805 1.00 15.92 O ATOM 24 CB ASN A 312 27.450 0.901 -8.122 1.00 16.82 C ATOM 25 CG ASN A 312 26.031 0.386 -7.954 1.00 16.95 C ATOM 26 OD1 ASN A 312 25.075 1.163 -7.907 1.00 17.07 O ATOM 27 ND2 ASN A 312 25.884 -0.927 -7.851 1.00 17.09 N ATOM 0 H ASN A 312 26.301 2.531 -10.591 1.00 16.75 H new ATOM 0 HA ASN A 312 26.804 2.912 -8.468 1.00 16.58 H new ATOM 0 HB2 ASN A 312 28.047 0.146 -8.633 1.00 16.82 H new ATOM 0 HB3 ASN A 312 27.896 1.049 -7.139 1.00 16.82 H new ATOM 0 HD21 ASN A 312 24.954 -1.328 -7.728 1.00 17.09 H new ATOM 0 HD22 ASN A 312 26.701 -1.537 -7.895 1.00 17.09 H new ATOM 34 N PHE A 313 29.313 3.528 -9.868 1.00 15.90 N ATOM 35 CA PHE A 313 30.640 4.116 -9.942 1.00 15.59 C ATOM 36 C PHE A 313 30.541 5.627 -9.807 1.00 14.78 C ATOM 37 O PHE A 313 30.292 6.338 -10.780 1.00 14.72 O ATOM 38 CB PHE A 313 31.319 3.731 -11.260 1.00 16.04 C ATOM 39 CG PHE A 313 32.749 4.178 -11.356 1.00 16.54 C ATOM 40 CD1 PHE A 313 33.740 3.510 -10.656 1.00 16.60 C ATOM 41 CD2 PHE A 313 33.101 5.263 -12.139 1.00 17.11 C ATOM 42 CE1 PHE A 313 35.055 3.918 -10.734 1.00 17.21 C ATOM 43 CE2 PHE A 313 34.415 5.677 -12.223 1.00 17.71 C ATOM 44 CZ PHE A 313 35.394 5.005 -11.518 1.00 17.76 C ATOM 0 H PHE A 313 28.730 3.705 -10.686 1.00 15.90 H new ATOM 0 HA PHE A 313 31.248 3.732 -9.123 1.00 15.59 H new ATOM 0 HB2 PHE A 313 31.278 2.648 -11.377 1.00 16.04 H new ATOM 0 HB3 PHE A 313 30.756 4.163 -12.088 1.00 16.04 H new ATOM 0 HD1 PHE A 313 33.480 2.660 -10.042 1.00 16.60 H new ATOM 0 HD2 PHE A 313 32.338 5.792 -12.691 1.00 17.11 H new ATOM 0 HE1 PHE A 313 35.819 3.389 -10.183 1.00 17.21 H new ATOM 0 HE2 PHE A 313 34.677 6.525 -12.839 1.00 17.71 H new ATOM 0 HZ PHE A 313 36.423 5.328 -11.579 1.00 17.76 H new ATOM 54 N GLY A 314 30.711 6.098 -8.588 1.00 14.30 N ATOM 55 CA GLY A 314 30.591 7.509 -8.305 1.00 13.66 C ATOM 56 C GLY A 314 30.318 7.735 -6.839 1.00 13.23 C ATOM 57 O GLY A 314 31.067 7.251 -5.988 1.00 13.59 O ATOM 0 H GLY A 314 30.933 5.520 -7.777 1.00 14.30 H new ATOM 0 HA2 GLY A 314 31.508 8.022 -8.593 1.00 13.66 H new ATOM 0 HA3 GLY A 314 29.785 7.938 -8.901 1.00 13.66 H new ATOM 61 N ALA A 315 29.249 8.459 -6.533 1.00 12.65 N ATOM 62 CA ALA A 315 28.820 8.620 -5.152 1.00 12.37 C ATOM 63 C ALA A 315 28.412 7.265 -4.589 1.00 11.49 C ATOM 64 O ALA A 315 27.460 6.648 -5.064 1.00 11.05 O ATOM 65 CB ALA A 315 27.669 9.613 -5.054 1.00 12.55 C ATOM 0 H ALA A 315 28.667 8.941 -7.218 1.00 12.65 H new ATOM 0 HA ALA A 315 29.649 9.017 -4.566 1.00 12.37 H new ATOM 0 HB1 ALA A 315 27.366 9.717 -4.012 1.00 12.55 H new ATOM 0 HB2 ALA A 315 27.991 10.582 -5.436 1.00 12.55 H new ATOM 0 HB3 ALA A 315 26.826 9.252 -5.643 1.00 12.55 H new ATOM 71 N PHE A 316 29.136 6.803 -3.580 1.00 11.43 N ATOM 72 CA PHE A 316 28.949 5.451 -3.070 1.00 10.85 C ATOM 73 C PHE A 316 27.815 5.381 -2.052 1.00 10.07 C ATOM 74 O PHE A 316 27.685 4.398 -1.317 1.00 9.85 O ATOM 75 CB PHE A 316 30.256 4.905 -2.483 1.00 11.20 C ATOM 76 CG PHE A 316 30.912 5.812 -1.480 1.00 11.56 C ATOM 77 CD1 PHE A 316 31.777 6.809 -1.892 1.00 11.89 C ATOM 78 CD2 PHE A 316 30.657 5.665 -0.126 1.00 11.80 C ATOM 79 CE1 PHE A 316 32.376 7.645 -0.973 1.00 12.42 C ATOM 80 CE2 PHE A 316 31.254 6.497 0.798 1.00 12.36 C ATOM 81 CZ PHE A 316 32.129 7.482 0.370 1.00 12.67 C ATOM 0 H PHE A 316 29.856 7.342 -3.099 1.00 11.43 H new ATOM 0 HA PHE A 316 28.664 4.819 -3.911 1.00 10.85 H new ATOM 0 HB2 PHE A 316 30.054 3.945 -2.009 1.00 11.20 H new ATOM 0 HB3 PHE A 316 30.956 4.717 -3.298 1.00 11.20 H new ATOM 0 HD1 PHE A 316 31.986 6.934 -2.944 1.00 11.89 H new ATOM 0 HD2 PHE A 316 29.983 4.890 0.210 1.00 11.80 H new ATOM 0 HE1 PHE A 316 33.040 8.428 -1.308 1.00 12.42 H new ATOM 0 HE2 PHE A 316 31.040 6.381 1.850 1.00 12.36 H new ATOM 0 HZ PHE A 316 32.617 8.122 1.091 1.00 12.67 H new ATOM 91 N SER A 317 26.991 6.422 -2.016 1.00 9.87 N ATOM 92 CA SER A 317 25.739 6.378 -1.279 1.00 9.34 C ATOM 93 C SER A 317 24.737 5.525 -2.056 1.00 8.25 C ATOM 94 O SER A 317 23.715 6.012 -2.542 1.00 8.10 O ATOM 95 CB SER A 317 25.193 7.793 -1.073 1.00 9.90 C ATOM 96 OG SER A 317 26.155 8.632 -0.449 1.00 10.38 O ATOM 0 H SER A 317 27.170 7.307 -2.490 1.00 9.87 H new ATOM 0 HA SER A 317 25.907 5.936 -0.297 1.00 9.34 H new ATOM 0 HB2 SER A 317 24.906 8.218 -2.035 1.00 9.90 H new ATOM 0 HB3 SER A 317 24.292 7.752 -0.461 1.00 9.90 H new ATOM 0 HG SER A 317 25.779 9.530 -0.332 1.00 10.38 H new ATOM 102 N ILE A 318 25.060 4.249 -2.184 1.00 7.73 N ATOM 103 CA ILE A 318 24.310 3.343 -3.033 1.00 6.82 C ATOM 104 C ILE A 318 23.028 2.876 -2.363 1.00 6.18 C ATOM 105 O ILE A 318 23.057 2.260 -1.298 1.00 6.36 O ATOM 106 CB ILE A 318 25.156 2.110 -3.418 1.00 6.89 C ATOM 107 CG1 ILE A 318 26.456 2.552 -4.096 1.00 7.43 C ATOM 108 CG2 ILE A 318 24.368 1.175 -4.332 1.00 7.27 C ATOM 109 CD1 ILE A 318 27.409 1.414 -4.393 1.00 7.71 C ATOM 0 H ILE A 318 25.848 3.814 -1.703 1.00 7.73 H new ATOM 0 HA ILE A 318 24.053 3.901 -3.934 1.00 6.82 H new ATOM 0 HB ILE A 318 25.403 1.564 -2.507 1.00 6.89 H new ATOM 0 HG12 ILE A 318 26.213 3.062 -5.028 1.00 7.43 H new ATOM 0 HG13 ILE A 318 26.959 3.277 -3.457 1.00 7.43 H new ATOM 0 HG21 ILE A 318 24.984 0.314 -4.590 1.00 7.27 H new ATOM 0 HG22 ILE A 318 23.468 0.837 -3.818 1.00 7.27 H new ATOM 0 HG23 ILE A 318 24.088 1.706 -5.242 1.00 7.27 H new ATOM 0 HD11 ILE A 318 28.306 1.806 -4.873 1.00 7.71 H new ATOM 0 HD12 ILE A 318 27.683 0.917 -3.463 1.00 7.71 H new ATOM 0 HD13 ILE A 318 26.925 0.698 -5.058 1.00 7.71 H new ATOM 121 N ASN A 319 21.907 3.197 -2.985 1.00 5.79 N ATOM 122 CA ASN A 319 20.622 2.637 -2.601 1.00 5.44 C ATOM 123 C ASN A 319 20.329 1.442 -3.495 1.00 4.60 C ATOM 124 O ASN A 319 19.854 1.599 -4.624 1.00 4.37 O ATOM 125 CB ASN A 319 19.512 3.683 -2.725 1.00 6.14 C ATOM 126 CG ASN A 319 19.651 4.796 -1.704 1.00 6.86 C ATOM 127 OD1 ASN A 319 19.096 4.720 -0.610 1.00 7.02 O ATOM 128 ND2 ASN A 319 20.400 5.832 -2.047 1.00 7.58 N ATOM 0 H ASN A 319 21.861 3.850 -3.767 1.00 5.79 H new ATOM 0 HA ASN A 319 20.660 2.321 -1.559 1.00 5.44 H new ATOM 0 HB2 ASN A 319 19.528 4.109 -3.728 1.00 6.14 H new ATOM 0 HB3 ASN A 319 18.544 3.198 -2.601 1.00 6.14 H new ATOM 0 HD21 ASN A 319 20.533 6.604 -1.394 1.00 7.58 H new ATOM 0 HD22 ASN A 319 20.844 5.858 -2.965 1.00 7.58 H new ATOM 135 N PRO A 320 20.631 0.230 -3.005 1.00 4.45 N ATOM 136 CA PRO A 320 20.590 -0.988 -3.816 1.00 4.02 C ATOM 137 C PRO A 320 19.183 -1.349 -4.277 1.00 3.55 C ATOM 138 O PRO A 320 18.215 -1.245 -3.521 1.00 3.28 O ATOM 139 CB PRO A 320 21.131 -2.069 -2.872 1.00 4.60 C ATOM 140 CG PRO A 320 20.887 -1.540 -1.503 1.00 5.20 C ATOM 141 CD PRO A 320 21.022 -0.050 -1.611 1.00 5.13 C ATOM 0 HA PRO A 320 21.165 -0.872 -4.735 1.00 4.02 H new ATOM 0 HB2 PRO A 320 20.619 -3.019 -3.025 1.00 4.60 H new ATOM 0 HB3 PRO A 320 22.193 -2.247 -3.043 1.00 4.60 H new ATOM 0 HG2 PRO A 320 19.895 -1.818 -1.147 1.00 5.20 H new ATOM 0 HG3 PRO A 320 21.606 -1.947 -0.792 1.00 5.20 H new ATOM 0 HD2 PRO A 320 20.374 0.464 -0.901 1.00 5.13 H new ATOM 0 HD3 PRO A 320 22.042 0.277 -1.407 1.00 5.13 H new ATOM 149 N ALA A 321 19.101 -1.803 -5.526 1.00 3.54 N ATOM 150 CA ALA A 321 17.855 -2.275 -6.122 1.00 3.23 C ATOM 151 C ALA A 321 17.239 -3.389 -5.285 1.00 2.87 C ATOM 152 O ALA A 321 16.040 -3.653 -5.360 1.00 2.56 O ATOM 153 CB ALA A 321 18.099 -2.750 -7.547 1.00 3.49 C ATOM 0 H ALA A 321 19.902 -1.854 -6.156 1.00 3.54 H new ATOM 0 HA ALA A 321 17.151 -1.443 -6.147 1.00 3.23 H new ATOM 0 HB1 ALA A 321 17.162 -3.099 -7.980 1.00 3.49 H new ATOM 0 HB2 ALA A 321 18.489 -1.925 -8.144 1.00 3.49 H new ATOM 0 HB3 ALA A 321 18.822 -3.566 -7.540 1.00 3.49 H new ATOM 159 N MET A 322 18.083 -4.045 -4.493 1.00 3.00 N ATOM 160 CA MET A 322 17.653 -5.107 -3.590 1.00 2.79 C ATOM 161 C MET A 322 16.508 -4.652 -2.685 1.00 2.47 C ATOM 162 O MET A 322 15.642 -5.450 -2.344 1.00 2.15 O ATOM 163 CB MET A 322 18.825 -5.581 -2.728 1.00 3.15 C ATOM 164 CG MET A 322 19.933 -6.263 -3.515 1.00 3.58 C ATOM 165 SD MET A 322 21.312 -6.762 -2.467 1.00 4.04 S ATOM 166 CE MET A 322 22.356 -7.601 -3.657 1.00 5.05 C ATOM 0 H MET A 322 19.085 -3.855 -4.460 1.00 3.00 H new ATOM 0 HA MET A 322 17.294 -5.931 -4.207 1.00 2.79 H new ATOM 0 HB2 MET A 322 19.243 -4.725 -2.198 1.00 3.15 H new ATOM 0 HB3 MET A 322 18.451 -6.272 -1.972 1.00 3.15 H new ATOM 0 HG2 MET A 322 19.529 -7.140 -4.021 1.00 3.58 H new ATOM 0 HG3 MET A 322 20.295 -5.586 -4.289 1.00 3.58 H new ATOM 0 HE1 MET A 322 23.253 -7.968 -3.159 1.00 5.05 H new ATOM 0 HE2 MET A 322 21.812 -8.440 -4.090 1.00 5.05 H new ATOM 0 HE3 MET A 322 22.639 -6.905 -4.447 1.00 5.05 H new ATOM 176 N MET A 323 16.499 -3.377 -2.295 1.00 2.62 N ATOM 177 CA MET A 323 15.423 -2.858 -1.449 1.00 2.46 C ATOM 178 C MET A 323 14.095 -2.860 -2.210 1.00 2.10 C ATOM 179 O MET A 323 13.037 -3.115 -1.640 1.00 1.85 O ATOM 180 CB MET A 323 15.743 -1.449 -0.927 1.00 2.84 C ATOM 181 CG MET A 323 15.715 -0.359 -1.988 1.00 3.05 C ATOM 182 SD MET A 323 16.063 1.278 -1.314 1.00 3.43 S ATOM 183 CE MET A 323 15.838 2.296 -2.772 1.00 3.62 C ATOM 0 H MET A 323 17.213 -2.693 -2.546 1.00 2.62 H new ATOM 0 HA MET A 323 15.334 -3.517 -0.585 1.00 2.46 H new ATOM 0 HB2 MET A 323 15.028 -1.195 -0.145 1.00 2.84 H new ATOM 0 HB3 MET A 323 16.730 -1.463 -0.465 1.00 2.84 H new ATOM 0 HG2 MET A 323 16.447 -0.592 -2.762 1.00 3.05 H new ATOM 0 HG3 MET A 323 14.736 -0.349 -2.467 1.00 3.05 H new ATOM 0 HE1 MET A 323 16.019 3.340 -2.518 1.00 3.62 H new ATOM 0 HE2 MET A 323 16.540 1.984 -3.545 1.00 3.62 H new ATOM 0 HE3 MET A 323 14.818 2.183 -3.141 1.00 3.62 H new ATOM 193 N ALA A 324 14.170 -2.586 -3.505 1.00 2.17 N ATOM 194 CA ALA A 324 12.987 -2.564 -4.357 1.00 1.99 C ATOM 195 C ALA A 324 12.584 -3.982 -4.736 1.00 1.65 C ATOM 196 O ALA A 324 11.400 -4.293 -4.880 1.00 1.44 O ATOM 197 CB ALA A 324 13.242 -1.727 -5.600 1.00 2.32 C ATOM 0 H ALA A 324 15.041 -2.375 -3.991 1.00 2.17 H new ATOM 0 HA ALA A 324 12.166 -2.109 -3.803 1.00 1.99 H new ATOM 0 HB1 ALA A 324 12.349 -1.722 -6.225 1.00 2.32 H new ATOM 0 HB2 ALA A 324 13.486 -0.706 -5.307 1.00 2.32 H new ATOM 0 HB3 ALA A 324 14.074 -2.153 -6.161 1.00 2.32 H new ATOM 203 N ALA A 325 13.584 -4.840 -4.900 1.00 1.69 N ATOM 204 CA ALA A 325 13.352 -6.259 -5.124 1.00 1.53 C ATOM 205 C ALA A 325 12.716 -6.880 -3.888 1.00 1.28 C ATOM 206 O ALA A 325 11.917 -7.816 -3.981 1.00 1.15 O ATOM 207 CB ALA A 325 14.658 -6.956 -5.467 1.00 1.81 C ATOM 0 H ALA A 325 14.569 -4.574 -4.882 1.00 1.69 H new ATOM 0 HA ALA A 325 12.669 -6.382 -5.965 1.00 1.53 H new ATOM 0 HB1 ALA A 325 14.472 -8.017 -5.632 1.00 1.81 H new ATOM 0 HB2 ALA A 325 15.079 -6.516 -6.371 1.00 1.81 H new ATOM 0 HB3 ALA A 325 15.362 -6.835 -4.644 1.00 1.81 H new ATOM 213 N ALA A 326 13.091 -6.355 -2.728 1.00 1.36 N ATOM 214 CA ALA A 326 12.515 -6.771 -1.473 1.00 1.30 C ATOM 215 C ALA A 326 11.080 -6.293 -1.395 1.00 1.05 C ATOM 216 O ALA A 326 10.198 -7.060 -1.070 1.00 0.93 O ATOM 217 CB ALA A 326 13.330 -6.220 -0.312 1.00 1.68 C ATOM 0 H ALA A 326 13.803 -5.630 -2.640 1.00 1.36 H new ATOM 0 HA ALA A 326 12.529 -7.859 -1.410 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.885 -6.541 0.630 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.352 -6.593 -0.376 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.337 -5.131 -0.357 1.00 1.68 H new ATOM 223 N GLN A 327 10.869 -5.026 -1.737 1.00 1.11 N ATOM 224 CA GLN A 327 9.540 -4.412 -1.725 1.00 1.11 C ATOM 225 C GLN A 327 8.545 -5.227 -2.527 1.00 0.86 C ATOM 226 O GLN A 327 7.435 -5.501 -2.069 1.00 0.84 O ATOM 227 CB GLN A 327 9.604 -3.059 -2.384 1.00 1.38 C ATOM 228 CG GLN A 327 8.440 -2.150 -2.038 1.00 1.63 C ATOM 229 CD GLN A 327 8.527 -0.804 -2.733 1.00 1.81 C ATOM 230 OE1 GLN A 327 9.131 0.132 -2.217 1.00 2.56 O ATOM 231 NE2 GLN A 327 7.915 -0.695 -3.902 1.00 1.90 N ATOM 0 H GLN A 327 11.613 -4.393 -2.031 1.00 1.11 H new ATOM 0 HA GLN A 327 9.226 -4.349 -0.683 1.00 1.11 H new ATOM 0 HB2 GLN A 327 10.533 -2.569 -2.095 1.00 1.38 H new ATOM 0 HB3 GLN A 327 9.638 -3.194 -3.465 1.00 1.38 H new ATOM 0 HG2 GLN A 327 7.506 -2.639 -2.316 1.00 1.63 H new ATOM 0 HG3 GLN A 327 8.411 -1.997 -0.959 1.00 1.63 H new ATOM 0 HE21 GLN A 327 7.424 -1.497 -4.297 1.00 1.90 H new ATOM 0 HE22 GLN A 327 7.935 0.191 -4.407 1.00 1.90 H new ATOM 240 N ALA A 328 8.954 -5.584 -3.743 1.00 0.82 N ATOM 241 CA ALA A 328 8.120 -6.370 -4.636 1.00 0.84 C ATOM 242 C ALA A 328 7.620 -7.594 -3.933 1.00 0.70 C ATOM 243 O ALA A 328 6.454 -7.959 -4.033 1.00 0.80 O ATOM 244 CB ALA A 328 8.895 -6.831 -5.849 1.00 0.98 C ATOM 0 H ALA A 328 9.865 -5.337 -4.130 1.00 0.82 H new ATOM 0 HA ALA A 328 7.293 -5.731 -4.945 1.00 0.84 H new ATOM 0 HB1 ALA A 328 8.242 -7.416 -6.497 1.00 0.98 H new ATOM 0 HB2 ALA A 328 9.265 -5.964 -6.395 1.00 0.98 H new ATOM 0 HB3 ALA A 328 9.737 -7.446 -5.531 1.00 0.98 H new ATOM 250 N ALA A 329 8.534 -8.230 -3.231 1.00 0.61 N ATOM 251 CA ALA A 329 8.238 -9.473 -2.595 1.00 0.69 C ATOM 252 C ALA A 329 7.527 -9.228 -1.268 1.00 0.55 C ATOM 253 O ALA A 329 6.639 -9.973 -0.856 1.00 0.63 O ATOM 254 CB ALA A 329 9.500 -10.300 -2.401 1.00 0.92 C ATOM 0 H ALA A 329 9.488 -7.896 -3.093 1.00 0.61 H new ATOM 0 HA ALA A 329 7.570 -10.044 -3.241 1.00 0.69 H new ATOM 0 HB1 ALA A 329 9.247 -11.242 -1.914 1.00 0.92 H new ATOM 0 HB2 ALA A 329 9.954 -10.503 -3.371 1.00 0.92 H new ATOM 0 HB3 ALA A 329 10.204 -9.748 -1.779 1.00 0.92 H new ATOM 260 N LEU A 330 7.940 -8.140 -0.636 1.00 0.46 N ATOM 261 CA LEU A 330 7.416 -7.664 0.635 1.00 0.45 C ATOM 262 C LEU A 330 5.962 -7.225 0.486 1.00 0.41 C ATOM 263 O LEU A 330 5.315 -6.850 1.465 1.00 0.46 O ATOM 264 CB LEU A 330 8.271 -6.480 1.115 1.00 0.59 C ATOM 265 CG LEU A 330 8.112 -6.094 2.586 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.516 -7.245 3.492 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.938 -4.856 2.897 1.00 1.59 C ATOM 0 H LEU A 330 8.677 -7.542 -1.009 1.00 0.46 H new ATOM 0 HA LEU A 330 7.456 -8.473 1.365 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.319 -6.717 0.933 1.00 0.59 H new ATOM 0 HB3 LEU A 330 8.029 -5.611 0.503 1.00 0.59 H new ATOM 0 HG LEU A 330 7.062 -5.869 2.771 1.00 0.93 H new ATOM 0 HD11 LEU A 330 8.395 -6.948 4.534 1.00 1.52 H new ATOM 0 HD12 LEU A 330 7.885 -8.109 3.285 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.558 -7.505 3.308 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.816 -4.592 3.947 1.00 1.59 H new ATOM 0 HD22 LEU A 330 9.989 -5.060 2.694 1.00 1.59 H new ATOM 0 HD23 LEU A 330 8.602 -4.028 2.273 1.00 1.59 H new ATOM 279 N GLN A 331 5.482 -7.229 -0.761 1.00 0.46 N ATOM 280 CA GLN A 331 4.139 -6.773 -1.110 1.00 0.59 C ATOM 281 C GLN A 331 3.060 -7.341 -0.182 1.00 0.59 C ATOM 282 O GLN A 331 2.028 -6.713 0.028 1.00 0.70 O ATOM 283 CB GLN A 331 3.810 -7.135 -2.563 1.00 0.77 C ATOM 284 CG GLN A 331 3.702 -8.629 -2.823 1.00 1.46 C ATOM 285 CD GLN A 331 3.466 -8.945 -4.285 1.00 1.83 C ATOM 286 OE1 GLN A 331 2.866 -8.155 -5.014 1.00 2.27 O ATOM 287 NE2 GLN A 331 3.934 -10.100 -4.723 1.00 2.41 N ATOM 0 H GLN A 331 6.023 -7.553 -1.563 1.00 0.46 H new ATOM 0 HA GLN A 331 4.138 -5.690 -0.988 1.00 0.59 H new ATOM 0 HB2 GLN A 331 2.869 -6.660 -2.840 1.00 0.77 H new ATOM 0 HB3 GLN A 331 4.580 -6.719 -3.213 1.00 0.77 H new ATOM 0 HG2 GLN A 331 4.617 -9.120 -2.491 1.00 1.46 H new ATOM 0 HG3 GLN A 331 2.886 -9.040 -2.229 1.00 1.46 H new ATOM 0 HE21 GLN A 331 4.426 -10.726 -4.085 1.00 2.41 H new ATOM 0 HE22 GLN A 331 3.804 -10.366 -5.699 1.00 2.41 H new ATOM 296 N SER A 332 3.301 -8.521 0.373 1.00 0.53 N ATOM 297 CA SER A 332 2.358 -9.142 1.293 1.00 0.59 C ATOM 298 C SER A 332 2.114 -8.236 2.505 1.00 0.58 C ATOM 299 O SER A 332 0.975 -8.010 2.910 1.00 0.67 O ATOM 300 CB SER A 332 2.887 -10.509 1.737 1.00 0.63 C ATOM 301 OG SER A 332 1.892 -11.261 2.416 1.00 1.46 O ATOM 0 H SER A 332 4.144 -9.069 0.201 1.00 0.53 H new ATOM 0 HA SER A 332 1.407 -9.285 0.781 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.233 -11.066 0.866 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.748 -10.371 2.390 1.00 0.63 H new ATOM 0 HG SER A 332 2.263 -12.128 2.684 1.00 1.46 H new ATOM 307 N SER A 333 3.195 -7.721 3.076 1.00 0.54 N ATOM 308 CA SER A 333 3.107 -6.874 4.255 1.00 0.62 C ATOM 309 C SER A 333 3.020 -5.392 3.870 1.00 0.65 C ATOM 310 O SER A 333 2.155 -4.665 4.359 1.00 0.70 O ATOM 311 CB SER A 333 4.319 -7.123 5.161 1.00 0.74 C ATOM 312 OG SER A 333 4.237 -6.369 6.358 1.00 1.39 O ATOM 0 H SER A 333 4.145 -7.877 2.739 1.00 0.54 H new ATOM 0 HA SER A 333 2.195 -7.128 4.796 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.382 -8.184 5.402 1.00 0.74 H new ATOM 0 HB3 SER A 333 5.233 -6.862 4.627 1.00 0.74 H new ATOM 0 HG SER A 333 5.023 -6.551 6.914 1.00 1.39 H new ATOM 318 N TRP A 334 3.896 -4.961 2.970 1.00 0.67 N ATOM 319 CA TRP A 334 4.014 -3.546 2.632 1.00 0.77 C ATOM 320 C TRP A 334 3.063 -3.147 1.505 1.00 0.76 C ATOM 321 O TRP A 334 2.322 -2.174 1.629 1.00 0.83 O ATOM 322 CB TRP A 334 5.461 -3.235 2.240 1.00 0.89 C ATOM 323 CG TRP A 334 5.673 -1.848 1.700 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.803 -1.495 0.386 1.00 1.68 C ATOM 325 CD2 TRP A 334 5.787 -0.635 2.454 1.00 1.63 C ATOM 326 NE1 TRP A 334 5.989 -0.140 0.278 1.00 2.16 N ATOM 327 CE2 TRP A 334 5.983 0.412 1.530 1.00 2.03 C ATOM 328 CE3 TRP A 334 5.744 -0.325 3.817 1.00 2.43 C ATOM 329 CZ2 TRP A 334 6.131 1.737 1.925 1.00 2.72 C ATOM 330 CZ3 TRP A 334 5.892 0.992 4.207 1.00 3.17 C ATOM 331 CH2 TRP A 334 6.085 2.010 3.264 1.00 3.18 C ATOM 0 H TRP A 334 4.536 -5.571 2.461 1.00 0.67 H new ATOM 0 HA TRP A 334 3.735 -2.964 3.510 1.00 0.77 H new ATOM 0 HB2 TRP A 334 6.099 -3.374 3.113 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.785 -3.957 1.491 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.765 -2.183 -0.446 1.00 1.68 H new ATOM 0 HE1 TRP A 334 6.112 0.373 -0.595 1.00 2.16 H new ATOM 0 HE3 TRP A 334 5.598 -1.102 4.552 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 6.277 2.523 1.199 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 5.858 1.241 5.257 1.00 3.17 H new ATOM 0 HH2 TRP A 334 6.200 3.030 3.601 1.00 3.18 H new ATOM 342 N GLY A 335 3.080 -3.902 0.414 1.00 0.74 N ATOM 343 CA GLY A 335 2.276 -3.552 -0.744 1.00 0.83 C ATOM 344 C GLY A 335 0.788 -3.610 -0.459 1.00 0.76 C ATOM 345 O GLY A 335 0.030 -2.738 -0.888 1.00 0.80 O ATOM 0 H GLY A 335 3.636 -4.751 0.309 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.540 -2.548 -1.075 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.512 -4.230 -1.564 1.00 0.83 H new ATOM 349 N MET A 336 0.377 -4.630 0.285 1.00 0.70 N ATOM 350 CA MET A 336 -1.031 -4.841 0.604 1.00 0.70 C ATOM 351 C MET A 336 -1.606 -3.666 1.388 1.00 0.61 C ATOM 352 O MET A 336 -2.799 -3.392 1.309 1.00 0.61 O ATOM 353 CB MET A 336 -1.206 -6.146 1.387 1.00 0.80 C ATOM 354 CG MET A 336 -2.656 -6.511 1.664 1.00 0.93 C ATOM 355 SD MET A 336 -2.833 -8.166 2.363 1.00 1.58 S ATOM 356 CE MET A 336 -2.107 -9.155 1.053 1.00 2.31 C ATOM 0 H MET A 336 1.004 -5.330 0.682 1.00 0.70 H new ATOM 0 HA MET A 336 -1.582 -4.914 -0.334 1.00 0.70 H new ATOM 0 HB2 MET A 336 -0.738 -6.958 0.830 1.00 0.80 H new ATOM 0 HB3 MET A 336 -0.675 -6.063 2.335 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.085 -5.782 2.351 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.226 -6.449 0.737 1.00 0.93 H new ATOM 0 HE1 MET A 336 -2.539 -10.156 1.071 1.00 2.31 H new ATOM 0 HE2 MET A 336 -2.311 -8.689 0.089 1.00 2.31 H new ATOM 0 HE3 MET A 336 -1.029 -9.222 1.202 1.00 2.31 H new ATOM 366 N MET A 337 -0.754 -2.961 2.126 1.00 0.61 N ATOM 367 CA MET A 337 -1.182 -1.771 2.857 1.00 0.62 C ATOM 368 C MET A 337 -1.844 -0.783 1.898 1.00 0.56 C ATOM 369 O MET A 337 -2.893 -0.212 2.195 1.00 0.59 O ATOM 370 CB MET A 337 0.015 -1.111 3.552 1.00 0.74 C ATOM 371 CG MET A 337 -0.350 0.120 4.369 1.00 1.19 C ATOM 372 SD MET A 337 1.097 0.925 5.083 1.00 2.22 S ATOM 373 CE MET A 337 1.983 1.418 3.604 1.00 3.15 C ATOM 0 H MET A 337 0.234 -3.191 2.234 1.00 0.61 H new ATOM 0 HA MET A 337 -1.904 -2.067 3.618 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.491 -1.841 4.206 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.751 -0.830 2.799 1.00 0.74 H new ATOM 0 HG2 MET A 337 -0.881 0.830 3.734 1.00 1.19 H new ATOM 0 HG3 MET A 337 -1.034 -0.167 5.168 1.00 1.19 H new ATOM 0 HE1 MET A 337 2.649 2.248 3.839 1.00 3.15 H new ATOM 0 HE2 MET A 337 2.568 0.577 3.233 1.00 3.15 H new ATOM 0 HE3 MET A 337 1.271 1.729 2.840 1.00 3.15 H new ATOM 383 N GLY A 338 -1.221 -0.604 0.740 1.00 0.60 N ATOM 384 CA GLY A 338 -1.790 0.234 -0.295 1.00 0.66 C ATOM 385 C GLY A 338 -2.846 -0.486 -1.101 1.00 0.57 C ATOM 386 O GLY A 338 -3.925 0.049 -1.307 1.00 0.58 O ATOM 0 H GLY A 338 -0.325 -1.028 0.499 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.227 1.123 0.160 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -0.997 0.574 -0.961 1.00 0.66 H new ATOM 390 N MET A 339 -2.552 -1.712 -1.530 1.00 0.58 N ATOM 391 CA MET A 339 -3.453 -2.447 -2.419 1.00 0.66 C ATOM 392 C MET A 339 -4.809 -2.663 -1.771 1.00 0.54 C ATOM 393 O MET A 339 -5.849 -2.446 -2.388 1.00 0.62 O ATOM 394 CB MET A 339 -2.879 -3.818 -2.756 1.00 0.85 C ATOM 395 CG MET A 339 -1.493 -3.786 -3.376 1.00 1.24 C ATOM 396 SD MET A 339 -0.809 -5.439 -3.624 1.00 2.05 S ATOM 397 CE MET A 339 0.778 -5.040 -4.353 1.00 2.55 C ATOM 0 H MET A 339 -1.702 -2.216 -1.279 1.00 0.58 H new ATOM 0 HA MET A 339 -3.563 -1.847 -3.322 1.00 0.66 H new ATOM 0 HB2 MET A 339 -2.842 -4.416 -1.845 1.00 0.85 H new ATOM 0 HB3 MET A 339 -3.558 -4.324 -3.442 1.00 0.85 H new ATOM 0 HG2 MET A 339 -1.539 -3.268 -4.334 1.00 1.24 H new ATOM 0 HG3 MET A 339 -0.824 -3.212 -2.734 1.00 1.24 H new ATOM 0 HE1 MET A 339 1.323 -5.960 -4.565 1.00 2.55 H new ATOM 0 HE2 MET A 339 0.624 -4.488 -5.280 1.00 2.55 H new ATOM 0 HE3 MET A 339 1.354 -4.429 -3.658 1.00 2.55 H new ATOM 407 N LEU A 340 -4.792 -3.044 -0.506 1.00 0.46 N ATOM 408 CA LEU A 340 -6.012 -3.426 0.175 1.00 0.58 C ATOM 409 C LEU A 340 -6.849 -2.185 0.470 1.00 0.56 C ATOM 410 O LEU A 340 -8.081 -2.212 0.414 1.00 0.69 O ATOM 411 CB LEU A 340 -5.692 -4.176 1.472 1.00 0.73 C ATOM 412 CG LEU A 340 -6.832 -5.026 2.038 1.00 1.13 C ATOM 413 CD1 LEU A 340 -7.231 -6.112 1.048 1.00 1.60 C ATOM 414 CD2 LEU A 340 -6.421 -5.645 3.363 1.00 1.76 C ATOM 0 H LEU A 340 -3.950 -3.096 0.067 1.00 0.46 H new ATOM 0 HA LEU A 340 -6.582 -4.093 -0.472 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -4.833 -4.823 1.295 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -5.394 -3.449 2.228 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.693 -4.380 2.207 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.043 -6.706 1.467 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -7.562 -5.652 0.117 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -6.374 -6.756 0.850 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -7.242 -6.247 3.754 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.546 -6.278 3.213 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -6.180 -4.855 4.074 1.00 1.76 H new ATOM 426 N ALA A 341 -6.155 -1.100 0.798 1.00 0.52 N ATOM 427 CA ALA A 341 -6.792 0.187 1.039 1.00 0.69 C ATOM 428 C ALA A 341 -7.294 0.805 -0.262 1.00 0.70 C ATOM 429 O ALA A 341 -8.403 1.334 -0.316 1.00 0.88 O ATOM 430 CB ALA A 341 -5.830 1.140 1.739 1.00 0.82 C ATOM 0 H ALA A 341 -5.141 -1.089 0.903 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.651 0.017 1.688 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -6.325 2.096 1.910 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -5.526 0.713 2.695 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.951 1.294 1.114 1.00 0.82 H new ATOM 436 N SER A 342 -6.484 0.709 -1.314 1.00 0.64 N ATOM 437 CA SER A 342 -6.799 1.349 -2.585 1.00 0.84 C ATOM 438 C SER A 342 -7.984 0.668 -3.268 1.00 0.86 C ATOM 439 O SER A 342 -8.790 1.325 -3.927 1.00 1.04 O ATOM 440 CB SER A 342 -5.583 1.337 -3.517 1.00 1.02 C ATOM 441 OG SER A 342 -4.495 2.052 -2.950 1.00 1.61 O ATOM 0 H SER A 342 -5.604 0.193 -1.309 1.00 0.64 H new ATOM 0 HA SER A 342 -7.070 2.383 -2.373 1.00 0.84 H new ATOM 0 HB2 SER A 342 -5.282 0.308 -3.714 1.00 1.02 H new ATOM 0 HB3 SER A 342 -5.852 1.779 -4.476 1.00 1.02 H new ATOM 0 HG SER A 342 -4.130 1.546 -2.194 1.00 1.61 H new ATOM 447 N GLN A 343 -8.083 -0.650 -3.109 1.00 0.77 N ATOM 448 CA GLN A 343 -9.194 -1.409 -3.678 1.00 0.94 C ATOM 449 C GLN A 343 -10.470 -1.189 -2.871 1.00 1.02 C ATOM 450 O GLN A 343 -11.569 -1.501 -3.327 1.00 1.20 O ATOM 451 CB GLN A 343 -8.862 -2.905 -3.732 1.00 1.05 C ATOM 452 CG GLN A 343 -7.727 -3.249 -4.684 1.00 1.73 C ATOM 453 CD GLN A 343 -8.070 -2.999 -6.140 1.00 2.21 C ATOM 454 OE1 GLN A 343 -9.332 -3.182 -6.497 1.00 2.89 O flip ATOM 455 NE2 GLN A 343 -7.197 -2.664 -6.945 1.00 2.59 N flip ATOM 0 H GLN A 343 -7.408 -1.214 -2.592 1.00 0.77 H new ATOM 0 HA GLN A 343 -9.356 -1.050 -4.694 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -8.599 -3.245 -2.730 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -9.754 -3.455 -4.032 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -6.848 -2.661 -4.419 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -7.459 -4.298 -4.556 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -6.236 -2.533 -6.630 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -7.437 -2.518 -7.926 1.00 2.59 H new ATOM 464 N GLN A 344 -10.295 -0.652 -1.660 1.00 1.01 N ATOM 465 CA GLN A 344 -11.399 -0.393 -0.738 1.00 1.26 C ATOM 466 C GLN A 344 -12.069 -1.692 -0.320 1.00 1.63 C ATOM 467 O GLN A 344 -13.267 -1.884 -0.527 1.00 2.07 O ATOM 468 CB GLN A 344 -12.425 0.569 -1.349 1.00 1.72 C ATOM 469 CG GLN A 344 -11.902 1.986 -1.502 1.00 1.96 C ATOM 470 CD GLN A 344 -11.613 2.649 -0.168 1.00 2.53 C ATOM 471 OE1 GLN A 344 -12.407 2.330 0.847 1.00 3.07 O flip ATOM 472 NE2 GLN A 344 -10.694 3.459 -0.054 1.00 3.10 N flip ATOM 0 H GLN A 344 -9.381 -0.385 -1.293 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.982 0.083 0.150 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -12.728 0.193 -2.326 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -13.317 0.584 -0.723 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -10.991 1.970 -2.101 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -12.633 2.582 -2.049 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -10.105 3.678 -0.857 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -10.521 3.911 0.844 1.00 3.10 H new ATOM 481 N ASN A 345 -11.285 -2.569 0.304 1.00 2.06 N ATOM 482 CA ASN A 345 -11.772 -3.862 0.763 1.00 2.81 C ATOM 483 C ASN A 345 -12.742 -3.680 1.917 1.00 3.10 C ATOM 484 O ASN A 345 -13.387 -4.626 2.366 1.00 3.64 O ATOM 485 CB ASN A 345 -10.590 -4.716 1.207 1.00 3.55 C ATOM 486 CG ASN A 345 -10.940 -6.189 1.380 1.00 4.38 C ATOM 487 OD1 ASN A 345 -11.869 -6.693 0.577 1.00 4.89 O flip ATOM 488 ND2 ASN A 345 -10.369 -6.877 2.228 1.00 4.81 N flip ATOM 0 H ASN A 345 -10.299 -2.402 0.504 1.00 2.06 H new ATOM 0 HA ASN A 345 -12.295 -4.359 -0.054 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -9.789 -4.624 0.474 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -10.205 -4.328 2.150 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -9.659 -6.459 2.830 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -10.606 -7.864 2.328 1.00 4.81 H new ATOM 495 N GLN A 346 -12.834 -2.447 2.390 1.00 3.07 N ATOM 496 CA GLN A 346 -13.774 -2.092 3.446 1.00 3.79 C ATOM 497 C GLN A 346 -15.198 -2.387 2.994 1.00 3.92 C ATOM 498 O GLN A 346 -16.071 -2.677 3.807 1.00 4.60 O ATOM 499 CB GLN A 346 -13.631 -0.614 3.825 1.00 4.24 C ATOM 500 CG GLN A 346 -12.245 -0.244 4.337 1.00 4.90 C ATOM 501 CD GLN A 346 -11.870 -0.988 5.604 1.00 5.50 C ATOM 502 OE1 GLN A 346 -12.729 -1.338 6.414 1.00 6.02 O ATOM 503 NE2 GLN A 346 -10.582 -1.232 5.788 1.00 5.81 N ATOM 0 H GLN A 346 -12.265 -1.669 2.057 1.00 3.07 H new ATOM 0 HA GLN A 346 -13.550 -2.692 4.328 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -13.862 -0.001 2.954 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -14.368 -0.371 4.591 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -11.508 -0.458 3.563 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -12.207 0.829 4.526 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -9.901 -0.926 5.093 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -10.271 -1.726 6.624 1.00 5.81 H new ATOM 512 N SER A 347 -15.404 -2.314 1.677 1.00 3.53 N ATOM 513 CA SER A 347 -16.668 -2.686 1.043 1.00 4.14 C ATOM 514 C SER A 347 -17.802 -1.729 1.420 1.00 4.67 C ATOM 515 O SER A 347 -17.568 -0.699 2.062 1.00 5.05 O ATOM 516 CB SER A 347 -17.042 -4.125 1.423 1.00 4.47 C ATOM 517 OG SER A 347 -15.953 -5.006 1.202 1.00 4.68 O ATOM 0 H SER A 347 -14.694 -1.993 1.018 1.00 3.53 H new ATOM 0 HA SER A 347 -16.528 -2.618 -0.036 1.00 4.14 H new ATOM 0 HB2 SER A 347 -17.339 -4.163 2.471 1.00 4.47 H new ATOM 0 HB3 SER A 347 -17.902 -4.449 0.836 1.00 4.47 H new ATOM 0 HG SER A 347 -15.221 -4.782 1.814 1.00 4.68 H new ATOM 523 N GLY A 348 -19.017 -2.050 0.993 1.00 5.14 N ATOM 524 CA GLY A 348 -20.172 -1.274 1.410 1.00 6.09 C ATOM 525 C GLY A 348 -20.630 -1.648 2.813 1.00 6.66 C ATOM 526 O GLY A 348 -20.718 -0.783 3.688 1.00 7.18 O ATOM 0 H GLY A 348 -19.224 -2.829 0.369 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -19.927 -0.212 1.379 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -20.989 -1.433 0.707 1.00 6.09 H new ATOM 530 N PRO A 349 -20.923 -2.941 3.067 1.00 6.87 N ATOM 531 CA PRO A 349 -21.181 -3.444 4.414 1.00 7.59 C ATOM 532 C PRO A 349 -19.873 -3.677 5.162 1.00 7.24 C ATOM 533 O PRO A 349 -19.461 -4.816 5.377 1.00 6.93 O ATOM 534 CB PRO A 349 -21.923 -4.774 4.182 1.00 8.09 C ATOM 535 CG PRO A 349 -22.103 -4.890 2.700 1.00 7.65 C ATOM 536 CD PRO A 349 -21.066 -4.006 2.072 1.00 6.81 C ATOM 0 HA PRO A 349 -21.757 -2.744 5.020 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -21.350 -5.615 4.573 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -22.885 -4.779 4.694 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -21.980 -5.923 2.374 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -23.106 -4.580 2.406 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -20.128 -4.535 1.904 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -21.391 -3.620 1.106 1.00 6.81 H new ATOM 544 N SER A 350 -19.230 -2.583 5.549 1.00 7.62 N ATOM 545 CA SER A 350 -17.903 -2.624 6.148 1.00 7.69 C ATOM 546 C SER A 350 -17.905 -3.342 7.496 1.00 8.06 C ATOM 547 O SER A 350 -16.870 -3.852 7.935 1.00 8.21 O ATOM 548 CB SER A 350 -17.370 -1.198 6.303 1.00 8.35 C ATOM 549 OG SER A 350 -16.012 -1.189 6.706 1.00 8.86 O ATOM 0 H SER A 350 -19.614 -1.643 5.456 1.00 7.62 H new ATOM 0 HA SER A 350 -17.250 -3.191 5.485 1.00 7.69 H new ATOM 0 HB2 SER A 350 -17.473 -0.666 5.357 1.00 8.35 H new ATOM 0 HB3 SER A 350 -17.971 -0.662 7.037 1.00 8.35 H new ATOM 0 HG SER A 350 -15.703 -0.263 6.794 1.00 8.86 H new ATOM 555 N GLY A 351 -19.055 -3.378 8.152 1.00 8.46 N ATOM 556 CA GLY A 351 -19.160 -4.075 9.413 1.00 9.04 C ATOM 557 C GLY A 351 -20.590 -4.161 9.884 1.00 9.55 C ATOM 558 O GLY A 351 -20.865 -4.095 11.080 1.00 10.03 O ATOM 0 H GLY A 351 -19.917 -2.936 7.832 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -18.750 -5.080 9.309 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -18.560 -3.562 10.164 1.00 9.04 H new ATOM 562 N ASN A 352 -21.507 -4.328 8.939 1.00 9.68 N ATOM 563 CA ASN A 352 -22.935 -4.328 9.244 1.00 10.39 C ATOM 564 C ASN A 352 -23.397 -5.717 9.667 1.00 10.64 C ATOM 565 O ASN A 352 -24.347 -6.264 9.099 1.00 11.07 O ATOM 566 CB ASN A 352 -23.756 -3.859 8.034 1.00 10.83 C ATOM 567 CG ASN A 352 -23.393 -2.460 7.565 1.00 10.91 C ATOM 568 OD1 ASN A 352 -22.230 -2.052 7.598 1.00 11.08 O ATOM 569 ND2 ASN A 352 -24.392 -1.712 7.130 1.00 11.02 N ATOM 0 H ASN A 352 -21.288 -4.466 7.952 1.00 9.68 H new ATOM 0 HA ASN A 352 -23.096 -3.633 10.068 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -23.610 -4.559 7.212 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -24.815 -3.885 8.291 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -24.214 -0.761 6.806 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -25.341 -2.085 7.118 1.00 11.02 H new ATOM 576 N ASN A 353 -22.716 -6.272 10.667 1.00 10.57 N ATOM 577 CA ASN A 353 -22.998 -7.616 11.174 1.00 11.04 C ATOM 578 C ASN A 353 -22.862 -8.645 10.056 1.00 11.52 C ATOM 579 O ASN A 353 -23.843 -9.232 9.594 1.00 11.95 O ATOM 580 CB ASN A 353 -24.393 -7.674 11.814 1.00 11.31 C ATOM 581 CG ASN A 353 -24.625 -8.945 12.619 1.00 11.74 C ATOM 582 OD1 ASN A 353 -24.281 -9.013 13.799 1.00 11.95 O ATOM 583 ND2 ASN A 353 -25.225 -9.949 12.002 1.00 12.07 N ATOM 0 H ASN A 353 -21.951 -5.802 11.151 1.00 10.57 H new ATOM 0 HA ASN A 353 -22.267 -7.856 11.947 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -24.525 -6.809 12.464 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -25.149 -7.603 11.032 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -25.417 -10.815 12.505 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -25.496 -9.857 11.023 1.00 12.07 H new ATOM 590 N GLN A 354 -21.630 -8.854 9.617 1.00 11.62 N ATOM 591 CA GLN A 354 -21.347 -9.790 8.537 1.00 12.24 C ATOM 592 C GLN A 354 -20.893 -11.133 9.108 1.00 12.69 C ATOM 593 O GLN A 354 -19.745 -11.547 8.950 1.00 12.83 O ATOM 594 CB GLN A 354 -20.303 -9.198 7.576 1.00 12.40 C ATOM 595 CG GLN A 354 -19.034 -8.714 8.260 1.00 12.50 C ATOM 596 CD GLN A 354 -18.143 -7.891 7.348 1.00 12.74 C ATOM 597 OE1 GLN A 354 -18.187 -8.167 6.052 1.00 13.09 O flip ATOM 598 NE2 GLN A 354 -17.422 -7.010 7.807 1.00 12.76 N flip ATOM 0 H GLN A 354 -20.806 -8.386 9.994 1.00 11.62 H new ATOM 0 HA GLN A 354 -22.259 -9.964 7.966 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -20.038 -9.952 6.835 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -20.753 -8.364 7.037 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -19.303 -8.116 9.131 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -18.474 -9.575 8.625 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -17.416 -6.827 8.810 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -16.829 -6.461 7.185 1.00 12.76 H new ATOM 607 N ASN A 355 -21.824 -11.816 9.759 1.00 13.09 N ATOM 608 CA ASN A 355 -21.520 -13.047 10.484 1.00 13.71 C ATOM 609 C ASN A 355 -21.622 -14.274 9.584 1.00 14.13 C ATOM 610 O ASN A 355 -21.635 -15.406 10.070 1.00 14.46 O ATOM 611 CB ASN A 355 -22.466 -13.207 11.679 1.00 14.16 C ATOM 612 CG ASN A 355 -23.896 -13.502 11.259 1.00 14.18 C ATOM 613 OD1 ASN A 355 -24.662 -12.597 10.932 1.00 14.03 O ATOM 614 ND2 ASN A 355 -24.270 -14.769 11.281 1.00 14.53 N ATOM 0 H ASN A 355 -22.804 -11.538 9.801 1.00 13.09 H new ATOM 0 HA ASN A 355 -20.492 -12.971 10.837 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -22.105 -14.014 12.317 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -22.448 -12.295 12.276 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -25.223 -15.024 11.021 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -23.606 -15.492 11.558 1.00 14.53 H new ATOM 621 N GLN A 356 -21.686 -14.029 8.272 1.00 14.28 N ATOM 622 CA GLN A 356 -21.835 -15.086 7.269 1.00 14.82 C ATOM 623 C GLN A 356 -23.194 -15.772 7.391 1.00 15.14 C ATOM 624 O GLN A 356 -23.333 -16.779 8.084 1.00 15.47 O ATOM 625 CB GLN A 356 -20.701 -16.117 7.378 1.00 15.22 C ATOM 626 CG GLN A 356 -19.347 -15.599 6.907 1.00 15.23 C ATOM 627 CD GLN A 356 -19.172 -15.676 5.399 1.00 15.68 C ATOM 628 OE1 GLN A 356 -20.266 -15.590 4.657 1.00 15.74 O flip ATOM 629 NE2 GLN A 356 -18.055 -15.826 4.903 1.00 16.15 N flip ATOM 0 H GLN A 356 -21.636 -13.091 7.875 1.00 14.28 H new ATOM 0 HA GLN A 356 -21.776 -14.617 6.287 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -20.615 -16.439 8.416 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -20.966 -16.997 6.792 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -19.229 -14.564 7.228 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -18.557 -16.175 7.389 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -17.234 -15.888 5.505 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -17.951 -15.888 3.890 1.00 16.15 H new ATOM 638 N GLY A 357 -24.190 -15.227 6.697 1.00 15.18 N ATOM 639 CA GLY A 357 -25.528 -15.789 6.743 1.00 15.65 C ATOM 640 C GLY A 357 -25.568 -17.201 6.204 1.00 15.86 C ATOM 641 O GLY A 357 -25.080 -17.460 5.102 1.00 15.64 O ATOM 0 H GLY A 357 -24.093 -14.404 6.102 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -25.888 -15.783 7.772 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -26.205 -15.161 6.164 1.00 15.65 H new ATOM 645 N ASN A 358 -26.120 -18.118 6.998 1.00 16.44 N ATOM 646 CA ASN A 358 -26.225 -19.535 6.629 1.00 16.86 C ATOM 647 C ASN A 358 -24.842 -20.166 6.510 1.00 17.18 C ATOM 648 O ASN A 358 -24.691 -21.275 5.987 1.00 17.48 O ATOM 649 CB ASN A 358 -27.008 -19.712 5.320 1.00 17.22 C ATOM 650 CG ASN A 358 -28.437 -19.217 5.422 1.00 17.53 C ATOM 651 OD1 ASN A 358 -28.720 -18.041 5.177 1.00 17.56 O ATOM 652 ND2 ASN A 358 -29.351 -20.102 5.785 1.00 17.90 N ATOM 0 H ASN A 358 -26.508 -17.902 7.916 1.00 16.44 H new ATOM 0 HA ASN A 358 -26.772 -20.044 7.422 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -26.498 -19.175 4.521 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -27.012 -20.766 5.043 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -30.328 -19.821 5.870 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -29.079 -21.066 5.979 1.00 17.90 H new ATOM 659 N MET A 359 -23.840 -19.447 7.013 1.00 17.25 N ATOM 660 CA MET A 359 -22.451 -19.893 6.997 1.00 17.69 C ATOM 661 C MET A 359 -21.972 -20.161 5.570 1.00 18.15 C ATOM 662 O MET A 359 -21.183 -21.073 5.323 1.00 18.48 O ATOM 663 CB MET A 359 -22.280 -21.137 7.872 1.00 17.88 C ATOM 664 CG MET A 359 -22.673 -20.910 9.322 1.00 17.66 C ATOM 665 SD MET A 359 -22.482 -22.386 10.336 1.00 17.52 S ATOM 666 CE MET A 359 -23.070 -21.770 11.912 1.00 17.09 C ATOM 0 H MET A 359 -23.972 -18.533 7.446 1.00 17.25 H new ATOM 0 HA MET A 359 -21.834 -19.094 7.408 1.00 17.69 H new ATOM 0 HB2 MET A 359 -22.883 -21.947 7.462 1.00 17.88 H new ATOM 0 HB3 MET A 359 -21.240 -21.461 7.831 1.00 17.88 H new ATOM 0 HG2 MET A 359 -22.063 -20.108 9.738 1.00 17.66 H new ATOM 0 HG3 MET A 359 -23.710 -20.577 9.365 1.00 17.66 H new ATOM 0 HE1 MET A 359 -23.017 -22.565 12.656 1.00 17.09 H new ATOM 0 HE2 MET A 359 -22.448 -20.933 12.230 1.00 17.09 H new ATOM 0 HE3 MET A 359 -24.103 -21.436 11.810 1.00 17.09 H new ATOM 676 N GLN A 360 -22.466 -19.355 4.637 1.00 18.31 N ATOM 677 CA GLN A 360 -22.056 -19.437 3.243 1.00 18.89 C ATOM 678 C GLN A 360 -21.430 -18.119 2.815 1.00 19.30 C ATOM 679 O GLN A 360 -22.153 -17.103 2.787 1.00 19.39 O ATOM 680 CB GLN A 360 -23.256 -19.779 2.347 1.00 19.26 C ATOM 681 CG GLN A 360 -22.946 -19.755 0.854 1.00 19.39 C ATOM 682 CD GLN A 360 -21.898 -20.774 0.440 1.00 19.60 C ATOM 683 OE1 GLN A 360 -22.220 -21.915 0.105 1.00 19.85 O ATOM 684 NE2 GLN A 360 -20.640 -20.365 0.443 1.00 19.63 N ATOM 685 OXT GLN A 360 -20.220 -18.103 2.512 1.00 19.65 O ATOM 0 H GLN A 360 -23.158 -18.630 4.826 1.00 18.31 H new ATOM 0 HA GLN A 360 -21.317 -20.232 3.137 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -23.625 -20.769 2.615 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -24.061 -19.073 2.551 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -23.864 -19.942 0.297 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -22.602 -18.758 0.578 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -20.414 -19.412 0.727 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -19.896 -21.003 0.161 1.00 19.63 H new TER 694 GLN A 360