USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 339 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 355 ASN : amide:sc= 0.0138 K(o=0.0073,f=-0.66) USER MOD Set 1.2: A 358 ASN : amide:sc=-0.00647 X(o=0.0073,f=0) USER MOD Single : A 311 MET CE :methyl -147:sc= -3.1! (180deg=-5.33!) USER MOD Single : A 312 ASN : amide:sc= 0.694 K(o=0.69,f=-5.2!) USER MOD Single : A 317 SER OG : rot 109:sc= 0.0895 USER MOD Single : A 319 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.8!) USER MOD Single : A 322 MET CE :methyl 155:sc= -0.351 (180deg=-1.32) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 331 GLN :FLIP amide:sc= 0 F(o=-0.7,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 180:sc= 0 (180deg=0) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 342 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 345 ASN : amide:sc=-0.00359 X(o=-0.0036,f=0) USER MOD Single : A 346 GLN : amide:sc= 0.221 K(o=0.22,f=-4.3!) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 353 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.082) USER MOD Single : A 354 GLN : amide:sc= -0.175 K(o=-0.18,f=-5.6!) USER MOD Single : A 356 GLN :FLIP amide:sc= -0.0107 F(o=-1.2,f=-0.011) USER MOD Single : A 359 MET CE :methyl 161:sc= -0.201 (180deg=-0.831) USER MOD Single : A 360 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -43.651 -12.033 0.715 1.00 15.10 N ATOM 2 CA MET A 311 -43.984 -10.588 0.788 1.00 14.91 C ATOM 3 C MET A 311 -42.800 -9.739 0.335 1.00 14.01 C ATOM 4 O MET A 311 -42.967 -8.599 -0.106 1.00 13.92 O ATOM 5 CB MET A 311 -44.389 -10.206 2.217 1.00 15.49 C ATOM 6 CG MET A 311 -44.906 -8.777 2.371 1.00 16.12 C ATOM 7 SD MET A 311 -46.567 -8.529 1.697 1.00 16.98 S ATOM 8 CE MET A 311 -46.252 -8.484 -0.067 1.00 17.92 C ATOM 0 HA MET A 311 -44.824 -10.397 0.120 1.00 14.91 H new ATOM 0 HB2 MET A 311 -45.160 -10.896 2.559 1.00 15.49 H new ATOM 0 HB3 MET A 311 -43.528 -10.340 2.873 1.00 15.49 H new ATOM 0 HG2 MET A 311 -44.909 -8.513 3.429 1.00 16.12 H new ATOM 0 HG3 MET A 311 -44.216 -8.095 1.874 1.00 16.12 H new ATOM 0 HE1 MET A 311 -46.957 -7.804 -0.545 1.00 17.92 H new ATOM 0 HE2 MET A 311 -45.235 -8.136 -0.246 1.00 17.92 H new ATOM 0 HE3 MET A 311 -46.372 -9.484 -0.484 1.00 17.92 H new ATOM 20 N ASN A 312 -41.601 -10.286 0.443 1.00 13.49 N ATOM 21 CA ASN A 312 -40.408 -9.581 0.004 1.00 12.74 C ATOM 22 C ASN A 312 -40.179 -9.790 -1.487 1.00 12.32 C ATOM 23 O ASN A 312 -39.444 -10.684 -1.903 1.00 12.29 O ATOM 24 CB ASN A 312 -39.182 -10.035 0.796 1.00 12.63 C ATOM 25 CG ASN A 312 -37.933 -9.272 0.405 1.00 12.56 C ATOM 26 OD1 ASN A 312 -38.005 -8.120 -0.042 1.00 12.43 O ATOM 27 ND2 ASN A 312 -36.781 -9.903 0.568 1.00 12.87 N ATOM 0 H ASN A 312 -41.428 -11.214 0.830 1.00 13.49 H new ATOM 0 HA ASN A 312 -40.560 -8.517 0.188 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -39.369 -9.900 1.861 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -39.021 -11.101 0.633 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -35.906 -9.440 0.322 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -36.768 -10.853 0.940 1.00 12.87 H new ATOM 34 N PHE A 313 -40.826 -8.960 -2.289 1.00 12.16 N ATOM 35 CA PHE A 313 -40.661 -9.003 -3.736 1.00 11.96 C ATOM 36 C PHE A 313 -39.473 -8.131 -4.147 1.00 11.11 C ATOM 37 O PHE A 313 -39.563 -7.302 -5.050 1.00 11.29 O ATOM 38 CB PHE A 313 -41.958 -8.530 -4.412 1.00 12.55 C ATOM 39 CG PHE A 313 -42.010 -8.759 -5.899 1.00 13.17 C ATOM 40 CD1 PHE A 313 -42.011 -10.047 -6.416 1.00 13.57 C ATOM 41 CD2 PHE A 313 -42.048 -7.689 -6.776 1.00 13.49 C ATOM 42 CE1 PHE A 313 -42.053 -10.260 -7.780 1.00 14.27 C ATOM 43 CE2 PHE A 313 -42.090 -7.897 -8.142 1.00 14.21 C ATOM 44 CZ PHE A 313 -42.120 -9.177 -8.645 1.00 14.59 C ATOM 0 H PHE A 313 -41.474 -8.244 -1.962 1.00 12.16 H new ATOM 0 HA PHE A 313 -40.458 -10.025 -4.057 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -42.801 -9.043 -3.949 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -42.086 -7.465 -4.217 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -41.979 -10.892 -5.744 1.00 13.57 H new ATOM 0 HD2 PHE A 313 -42.045 -6.681 -6.389 1.00 13.49 H new ATOM 0 HE1 PHE A 313 -42.034 -11.266 -8.172 1.00 14.27 H new ATOM 0 HE2 PHE A 313 -42.099 -7.053 -8.816 1.00 14.21 H new ATOM 0 HZ PHE A 313 -42.195 -9.339 -9.710 1.00 14.59 H new ATOM 54 N GLY A 314 -38.355 -8.325 -3.459 1.00 10.31 N ATOM 55 CA GLY A 314 -37.185 -7.499 -3.684 1.00 9.52 C ATOM 56 C GLY A 314 -37.358 -6.109 -3.103 1.00 8.89 C ATOM 57 O GLY A 314 -36.610 -5.186 -3.426 1.00 8.22 O ATOM 0 H GLY A 314 -38.238 -9.044 -2.745 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -36.313 -7.974 -3.236 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -36.993 -7.424 -4.754 1.00 9.52 H new ATOM 61 N ALA A 315 -38.359 -5.964 -2.243 1.00 9.30 N ATOM 62 CA ALA A 315 -38.699 -4.672 -1.670 1.00 9.10 C ATOM 63 C ALA A 315 -37.829 -4.351 -0.462 1.00 8.51 C ATOM 64 O ALA A 315 -37.506 -3.193 -0.211 1.00 8.20 O ATOM 65 CB ALA A 315 -40.174 -4.638 -1.292 1.00 10.04 C ATOM 0 H ALA A 315 -38.951 -6.732 -1.927 1.00 9.30 H new ATOM 0 HA ALA A 315 -38.509 -3.908 -2.424 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -40.418 -3.666 -0.864 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -40.781 -4.805 -2.181 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -40.380 -5.419 -0.560 1.00 10.04 H new ATOM 71 N PHE A 316 -37.432 -5.381 0.274 1.00 8.63 N ATOM 72 CA PHE A 316 -36.653 -5.190 1.492 1.00 8.47 C ATOM 73 C PHE A 316 -35.158 -5.313 1.211 1.00 7.73 C ATOM 74 O PHE A 316 -34.364 -5.577 2.113 1.00 7.72 O ATOM 75 CB PHE A 316 -37.079 -6.193 2.572 1.00 9.29 C ATOM 76 CG PHE A 316 -38.506 -6.024 3.015 1.00 10.04 C ATOM 77 CD1 PHE A 316 -38.856 -5.012 3.892 1.00 10.37 C ATOM 78 CD2 PHE A 316 -39.495 -6.875 2.552 1.00 10.61 C ATOM 79 CE1 PHE A 316 -40.168 -4.850 4.296 1.00 11.22 C ATOM 80 CE2 PHE A 316 -40.808 -6.719 2.952 1.00 11.44 C ATOM 81 CZ PHE A 316 -41.144 -5.707 3.827 1.00 11.73 C ATOM 0 H PHE A 316 -37.636 -6.355 0.050 1.00 8.63 H new ATOM 0 HA PHE A 316 -36.848 -4.182 1.859 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -36.942 -7.205 2.192 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -36.423 -6.086 3.436 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -38.096 -4.342 4.265 1.00 10.37 H new ATOM 0 HD2 PHE A 316 -39.237 -7.671 1.869 1.00 10.61 H new ATOM 0 HE1 PHE A 316 -40.429 -4.054 4.978 1.00 11.22 H new ATOM 0 HE2 PHE A 316 -41.570 -7.388 2.580 1.00 11.44 H new ATOM 0 HZ PHE A 316 -42.169 -5.585 4.145 1.00 11.73 H new ATOM 91 N SER A 317 -34.784 -5.141 -0.047 1.00 7.38 N ATOM 92 CA SER A 317 -33.385 -5.135 -0.427 1.00 6.88 C ATOM 93 C SER A 317 -32.737 -3.831 0.030 1.00 6.15 C ATOM 94 O SER A 317 -33.201 -2.737 -0.310 1.00 6.12 O ATOM 95 CB SER A 317 -33.256 -5.309 -1.940 1.00 7.20 C ATOM 96 OG SER A 317 -33.955 -6.466 -2.376 1.00 8.01 O ATOM 0 H SER A 317 -35.433 -5.004 -0.822 1.00 7.38 H new ATOM 0 HA SER A 317 -32.871 -5.966 0.056 1.00 6.88 H new ATOM 0 HB2 SER A 317 -33.650 -4.428 -2.447 1.00 7.20 H new ATOM 0 HB3 SER A 317 -32.204 -5.390 -2.213 1.00 7.20 H new ATOM 0 HG SER A 317 -34.752 -6.197 -2.878 1.00 8.01 H new ATOM 102 N ILE A 318 -31.682 -3.949 0.813 1.00 5.89 N ATOM 103 CA ILE A 318 -31.028 -2.787 1.394 1.00 5.46 C ATOM 104 C ILE A 318 -29.864 -2.331 0.522 1.00 5.05 C ATOM 105 O ILE A 318 -29.034 -3.143 0.110 1.00 5.20 O ATOM 106 CB ILE A 318 -30.516 -3.091 2.819 1.00 5.77 C ATOM 107 CG1 ILE A 318 -31.661 -3.618 3.686 1.00 6.39 C ATOM 108 CG2 ILE A 318 -29.900 -1.844 3.445 1.00 5.87 C ATOM 109 CD1 ILE A 318 -31.232 -4.028 5.079 1.00 6.93 C ATOM 0 H ILE A 318 -31.256 -4.841 1.064 1.00 5.89 H new ATOM 0 HA ILE A 318 -31.768 -1.989 1.450 1.00 5.46 H new ATOM 0 HB ILE A 318 -29.743 -3.857 2.757 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -32.429 -2.849 3.764 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -32.117 -4.475 3.189 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -29.545 -2.078 4.449 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -29.063 -1.506 2.834 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -30.651 -1.056 3.500 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -32.097 -4.391 5.634 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -30.486 -4.820 5.012 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -30.804 -3.169 5.595 1.00 6.93 H new ATOM 121 N ASN A 319 -29.823 -1.037 0.233 1.00 4.90 N ATOM 122 CA ASN A 319 -28.729 -0.449 -0.532 1.00 4.82 C ATOM 123 C ASN A 319 -27.439 -0.515 0.275 1.00 4.38 C ATOM 124 O ASN A 319 -27.393 -0.046 1.414 1.00 4.39 O ATOM 125 CB ASN A 319 -29.041 1.010 -0.886 1.00 5.38 C ATOM 126 CG ASN A 319 -30.173 1.158 -1.886 1.00 6.06 C ATOM 127 OD1 ASN A 319 -31.074 0.315 -1.970 1.00 6.44 O ATOM 128 ND2 ASN A 319 -30.136 2.228 -2.657 1.00 6.59 N ATOM 0 H ASN A 319 -30.540 -0.370 0.519 1.00 4.90 H new ATOM 0 HA ASN A 319 -28.610 -1.015 -1.456 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -29.298 1.550 0.025 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -28.144 1.478 -1.292 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -30.867 2.382 -3.352 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -29.376 2.902 -2.558 1.00 6.59 H new ATOM 135 N PRO A 320 -26.387 -1.124 -0.293 1.00 4.41 N ATOM 136 CA PRO A 320 -25.087 -1.263 0.370 1.00 4.37 C ATOM 137 C PRO A 320 -24.435 0.084 0.665 1.00 4.34 C ATOM 138 O PRO A 320 -24.514 1.015 -0.134 1.00 4.65 O ATOM 139 CB PRO A 320 -24.243 -2.056 -0.637 1.00 4.92 C ATOM 140 CG PRO A 320 -25.233 -2.699 -1.547 1.00 5.28 C ATOM 141 CD PRO A 320 -26.382 -1.740 -1.627 1.00 4.99 C ATOM 0 HA PRO A 320 -25.183 -1.752 1.340 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -23.567 -1.402 -1.188 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -23.626 -2.801 -0.135 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -24.802 -2.879 -2.532 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -25.554 -3.665 -1.158 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -26.237 -1.000 -2.414 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -27.321 -2.251 -1.840 1.00 4.99 H new ATOM 149 N ALA A 321 -23.779 0.166 1.811 1.00 4.38 N ATOM 150 CA ALA A 321 -23.127 1.389 2.242 1.00 4.73 C ATOM 151 C ALA A 321 -21.791 1.051 2.880 1.00 4.87 C ATOM 152 O ALA A 321 -20.755 1.592 2.504 1.00 4.83 O ATOM 153 CB ALA A 321 -24.011 2.151 3.217 1.00 5.47 C ATOM 0 H ALA A 321 -23.684 -0.611 2.465 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.956 2.028 1.376 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.505 3.065 3.529 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -24.953 2.405 2.732 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -24.209 1.530 4.090 1.00 5.47 H new ATOM 159 N MET A 322 -21.822 0.122 3.828 1.00 5.24 N ATOM 160 CA MET A 322 -20.605 -0.371 4.461 1.00 5.76 C ATOM 161 C MET A 322 -19.729 -1.102 3.447 1.00 5.34 C ATOM 162 O MET A 322 -18.506 -0.964 3.450 1.00 5.57 O ATOM 163 CB MET A 322 -20.970 -1.322 5.599 1.00 6.52 C ATOM 164 CG MET A 322 -19.773 -2.026 6.216 1.00 7.25 C ATOM 165 SD MET A 322 -20.249 -3.295 7.406 1.00 8.01 S ATOM 166 CE MET A 322 -21.242 -4.363 6.365 1.00 8.63 C ATOM 0 H MET A 322 -22.680 -0.306 4.176 1.00 5.24 H new ATOM 0 HA MET A 322 -20.048 0.479 4.855 1.00 5.76 H new ATOM 0 HB2 MET A 322 -21.491 -0.762 6.376 1.00 6.52 H new ATOM 0 HB3 MET A 322 -21.667 -2.071 5.225 1.00 6.52 H new ATOM 0 HG2 MET A 322 -19.177 -2.481 5.425 1.00 7.25 H new ATOM 0 HG3 MET A 322 -19.139 -1.290 6.710 1.00 7.25 H new ATOM 0 HE1 MET A 322 -21.244 -5.373 6.776 1.00 8.63 H new ATOM 0 HE2 MET A 322 -22.264 -3.985 6.326 1.00 8.63 H new ATOM 0 HE3 MET A 322 -20.823 -4.382 5.359 1.00 8.63 H new ATOM 176 N MET A 323 -20.371 -1.855 2.560 1.00 4.92 N ATOM 177 CA MET A 323 -19.661 -2.569 1.505 1.00 4.86 C ATOM 178 C MET A 323 -19.179 -1.581 0.455 1.00 4.19 C ATOM 179 O MET A 323 -18.125 -1.759 -0.159 1.00 4.23 O ATOM 180 CB MET A 323 -20.573 -3.623 0.864 1.00 5.17 C ATOM 181 CG MET A 323 -21.019 -4.709 1.830 1.00 5.75 C ATOM 182 SD MET A 323 -22.179 -5.875 1.089 1.00 6.61 S ATOM 183 CE MET A 323 -22.443 -6.992 2.464 1.00 7.32 C ATOM 0 H MET A 323 -21.382 -1.987 2.551 1.00 4.92 H new ATOM 0 HA MET A 323 -18.800 -3.078 1.939 1.00 4.86 H new ATOM 0 HB2 MET A 323 -21.454 -3.129 0.454 1.00 5.17 H new ATOM 0 HB3 MET A 323 -20.049 -4.085 0.028 1.00 5.17 H new ATOM 0 HG2 MET A 323 -20.144 -5.252 2.187 1.00 5.75 H new ATOM 0 HG3 MET A 323 -21.484 -4.246 2.700 1.00 5.75 H new ATOM 0 HE1 MET A 323 -23.141 -7.775 2.168 1.00 7.32 H new ATOM 0 HE2 MET A 323 -21.494 -7.442 2.755 1.00 7.32 H new ATOM 0 HE3 MET A 323 -22.856 -6.439 3.308 1.00 7.32 H new ATOM 193 N ALA A 324 -19.960 -0.524 0.282 1.00 3.85 N ATOM 194 CA ALA A 324 -19.647 0.532 -0.665 1.00 3.64 C ATOM 195 C ALA A 324 -18.447 1.346 -0.189 1.00 3.69 C ATOM 196 O ALA A 324 -17.575 1.715 -0.979 1.00 3.64 O ATOM 197 CB ALA A 324 -20.865 1.427 -0.842 1.00 3.87 C ATOM 0 H ALA A 324 -20.829 -0.376 0.796 1.00 3.85 H new ATOM 0 HA ALA A 324 -19.387 0.085 -1.625 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -20.633 2.221 -1.552 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -21.700 0.835 -1.218 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -21.136 1.867 0.118 1.00 3.87 H new ATOM 203 N ALA A 325 -18.405 1.613 1.109 1.00 4.10 N ATOM 204 CA ALA A 325 -17.311 2.372 1.699 1.00 4.50 C ATOM 205 C ALA A 325 -16.036 1.540 1.769 1.00 4.36 C ATOM 206 O ALA A 325 -14.937 2.063 1.601 1.00 4.39 O ATOM 207 CB ALA A 325 -17.701 2.870 3.082 1.00 5.40 C ATOM 0 H ALA A 325 -19.118 1.314 1.775 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.112 3.232 1.059 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -16.874 3.436 3.512 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.578 3.512 3.003 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -17.931 2.019 3.724 1.00 5.40 H new ATOM 213 N ALA A 326 -16.190 0.241 2.006 1.00 4.45 N ATOM 214 CA ALA A 326 -15.051 -0.667 2.094 1.00 4.76 C ATOM 215 C ALA A 326 -14.238 -0.658 0.804 1.00 4.25 C ATOM 216 O ALA A 326 -13.006 -0.643 0.831 1.00 4.39 O ATOM 217 CB ALA A 326 -15.527 -2.076 2.412 1.00 5.39 C ATOM 0 H ALA A 326 -17.096 -0.208 2.141 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.403 -0.322 2.900 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.668 -2.745 2.475 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.057 -2.075 3.365 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.197 -2.420 1.624 1.00 5.39 H new ATOM 223 N GLN A 327 -14.938 -0.642 -0.324 1.00 3.89 N ATOM 224 CA GLN A 327 -14.289 -0.640 -1.629 1.00 3.88 C ATOM 225 C GLN A 327 -13.556 0.680 -1.865 1.00 3.54 C ATOM 226 O GLN A 327 -12.508 0.719 -2.509 1.00 3.70 O ATOM 227 CB GLN A 327 -15.330 -0.875 -2.726 1.00 4.13 C ATOM 228 CG GLN A 327 -14.733 -1.079 -4.108 1.00 4.57 C ATOM 229 CD GLN A 327 -15.792 -1.313 -5.165 1.00 5.04 C ATOM 230 OE1 GLN A 327 -16.868 -1.848 -4.882 1.00 5.37 O ATOM 231 NE2 GLN A 327 -15.497 -0.923 -6.394 1.00 5.52 N ATOM 0 H GLN A 327 -15.957 -0.630 -0.361 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.555 -1.445 -1.656 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.926 -1.750 -2.466 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -16.010 -0.023 -2.757 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -14.141 -0.204 -4.378 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -14.052 -1.930 -4.085 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -14.597 -0.484 -6.588 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -16.170 -1.061 -7.148 1.00 5.52 H new ATOM 240 N ALA A 328 -14.106 1.758 -1.326 1.00 3.40 N ATOM 241 CA ALA A 328 -13.498 3.075 -1.465 1.00 3.60 C ATOM 242 C ALA A 328 -12.327 3.244 -0.502 1.00 3.61 C ATOM 243 O ALA A 328 -11.377 3.979 -0.782 1.00 3.68 O ATOM 244 CB ALA A 328 -14.533 4.161 -1.235 1.00 4.16 C ATOM 0 H ALA A 328 -14.973 1.748 -0.788 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.114 3.165 -2.481 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -14.064 5.139 -1.342 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.334 4.061 -1.967 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.945 4.064 -0.230 1.00 4.16 H new ATOM 250 N ALA A 329 -12.398 2.548 0.628 1.00 3.87 N ATOM 251 CA ALA A 329 -11.364 2.617 1.656 1.00 4.31 C ATOM 252 C ALA A 329 -10.025 2.109 1.132 1.00 4.02 C ATOM 253 O ALA A 329 -8.968 2.473 1.650 1.00 4.18 O ATOM 254 CB ALA A 329 -11.787 1.824 2.885 1.00 5.14 C ATOM 0 H ALA A 329 -13.170 1.922 0.857 1.00 3.87 H new ATOM 0 HA ALA A 329 -11.238 3.663 1.935 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -11.006 1.884 3.643 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.713 2.238 3.284 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -11.945 0.781 2.609 1.00 5.14 H new ATOM 260 N LEU A 330 -10.079 1.276 0.098 1.00 3.86 N ATOM 261 CA LEU A 330 -8.879 0.741 -0.530 1.00 4.05 C ATOM 262 C LEU A 330 -7.994 1.864 -1.061 1.00 3.61 C ATOM 263 O LEU A 330 -6.771 1.740 -1.102 1.00 3.83 O ATOM 264 CB LEU A 330 -9.262 -0.205 -1.669 1.00 4.52 C ATOM 265 CG LEU A 330 -10.122 -1.400 -1.258 1.00 5.18 C ATOM 266 CD1 LEU A 330 -10.431 -2.275 -2.462 1.00 5.96 C ATOM 267 CD2 LEU A 330 -9.427 -2.202 -0.170 1.00 5.66 C ATOM 0 H LEU A 330 -10.950 0.955 -0.325 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.317 0.189 0.223 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -9.798 0.364 -2.429 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -8.349 -0.577 -2.134 1.00 4.52 H new ATOM 0 HG LEU A 330 -11.066 -1.028 -0.859 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -11.044 -3.120 -2.150 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -10.971 -1.691 -3.207 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -9.500 -2.642 -2.894 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -10.051 -3.050 0.112 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -8.469 -2.565 -0.541 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -9.262 -1.567 0.701 1.00 5.66 H new ATOM 279 N GLN A 331 -8.630 2.969 -1.432 1.00 3.29 N ATOM 280 CA GLN A 331 -7.936 4.128 -1.980 1.00 3.38 C ATOM 281 C GLN A 331 -7.014 4.754 -0.931 1.00 3.36 C ATOM 282 O GLN A 331 -6.000 5.374 -1.262 1.00 3.53 O ATOM 283 CB GLN A 331 -8.973 5.144 -2.467 1.00 3.75 C ATOM 284 CG GLN A 331 -8.387 6.380 -3.123 1.00 4.36 C ATOM 285 CD GLN A 331 -9.449 7.248 -3.776 1.00 4.72 C ATOM 286 OE1 GLN A 331 -10.659 7.234 -3.227 1.00 5.26 O flip ATOM 287 NE2 GLN A 331 -9.187 7.924 -4.769 1.00 4.88 N flip ATOM 0 H GLN A 331 -9.641 3.087 -1.361 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.314 3.815 -2.819 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.638 4.653 -3.177 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -9.584 5.454 -1.620 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -7.852 6.966 -2.375 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -7.657 6.078 -3.874 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -8.246 7.909 -5.162 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -9.911 8.500 -5.199 1.00 4.88 H new ATOM 296 N SER A 332 -7.375 4.591 0.336 1.00 3.52 N ATOM 297 CA SER A 332 -6.559 5.095 1.429 1.00 4.01 C ATOM 298 C SER A 332 -5.652 3.992 1.985 1.00 4.13 C ATOM 299 O SER A 332 -4.614 4.277 2.579 1.00 4.40 O ATOM 300 CB SER A 332 -7.443 5.669 2.542 1.00 4.82 C ATOM 301 OG SER A 332 -6.664 6.325 3.533 1.00 5.25 O ATOM 0 H SER A 332 -8.227 4.114 0.630 1.00 3.52 H new ATOM 0 HA SER A 332 -5.928 5.894 1.039 1.00 4.01 H new ATOM 0 HB2 SER A 332 -8.159 6.371 2.115 1.00 4.82 H new ATOM 0 HB3 SER A 332 -8.020 4.866 3.002 1.00 4.82 H new ATOM 0 HG SER A 332 -7.254 6.682 4.229 1.00 5.25 H new ATOM 307 N SER A 333 -6.060 2.736 1.794 1.00 4.24 N ATOM 308 CA SER A 333 -5.312 1.592 2.305 1.00 4.87 C ATOM 309 C SER A 333 -3.916 1.538 1.690 1.00 4.69 C ATOM 310 O SER A 333 -2.913 1.447 2.404 1.00 5.07 O ATOM 311 CB SER A 333 -6.073 0.290 2.017 1.00 5.50 C ATOM 312 OG SER A 333 -5.400 -0.837 2.557 1.00 6.18 O ATOM 0 H SER A 333 -6.909 2.487 1.286 1.00 4.24 H new ATOM 0 HA SER A 333 -5.205 1.706 3.384 1.00 4.87 H new ATOM 0 HB2 SER A 333 -7.076 0.353 2.439 1.00 5.50 H new ATOM 0 HB3 SER A 333 -6.188 0.165 0.940 1.00 5.50 H new ATOM 0 HG SER A 333 -5.911 -1.649 2.358 1.00 6.18 H new ATOM 318 N TRP A 334 -3.852 1.610 0.371 1.00 4.36 N ATOM 319 CA TRP A 334 -2.576 1.640 -0.318 1.00 4.61 C ATOM 320 C TRP A 334 -2.599 2.724 -1.383 1.00 4.24 C ATOM 321 O TRP A 334 -3.647 3.318 -1.643 1.00 3.98 O ATOM 322 CB TRP A 334 -2.223 0.269 -0.917 1.00 5.51 C ATOM 323 CG TRP A 334 -3.105 -0.180 -2.049 1.00 6.03 C ATOM 324 CD1 TRP A 334 -4.468 -0.159 -2.095 1.00 6.54 C ATOM 325 CD2 TRP A 334 -2.673 -0.749 -3.291 1.00 6.46 C ATOM 326 NE1 TRP A 334 -4.908 -0.663 -3.294 1.00 7.16 N ATOM 327 CE2 TRP A 334 -3.826 -1.034 -4.045 1.00 7.11 C ATOM 328 CE3 TRP A 334 -1.425 -1.043 -3.839 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -3.766 -1.594 -5.318 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -1.365 -1.597 -5.102 1.00 7.45 C ATOM 331 CH2 TRP A 334 -2.529 -1.869 -5.830 1.00 7.97 C ATOM 0 H TRP A 334 -4.667 1.649 -0.241 1.00 4.36 H new ATOM 0 HA TRP A 334 -1.795 1.874 0.405 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -1.192 0.299 -1.270 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -2.267 -0.478 -0.125 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -5.108 0.202 -1.303 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -5.884 -0.747 -3.579 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -0.520 -0.841 -3.285 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -4.664 -1.803 -5.880 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 -0.403 -1.825 -5.536 1.00 7.45 H new ATOM 0 HH2 TRP A 334 -2.448 -2.304 -6.815 1.00 7.97 H new ATOM 342 N GLY A 335 -1.459 2.973 -2.001 1.00 4.55 N ATOM 343 CA GLY A 335 -1.338 4.123 -2.869 1.00 4.68 C ATOM 344 C GLY A 335 -0.917 5.339 -2.075 1.00 4.16 C ATOM 345 O GLY A 335 -1.524 6.408 -2.160 1.00 4.48 O ATOM 0 H GLY A 335 -0.617 2.403 -1.919 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -0.607 3.921 -3.652 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -2.290 4.315 -3.364 1.00 4.68 H new ATOM 349 N MET A 336 0.116 5.142 -1.273 1.00 3.70 N ATOM 350 CA MET A 336 0.649 6.176 -0.408 1.00 3.47 C ATOM 351 C MET A 336 1.780 6.919 -1.106 1.00 3.74 C ATOM 352 O MET A 336 2.333 6.438 -2.095 1.00 4.01 O ATOM 353 CB MET A 336 1.155 5.564 0.906 1.00 3.41 C ATOM 354 CG MET A 336 2.241 4.506 0.732 1.00 3.73 C ATOM 355 SD MET A 336 1.639 2.987 -0.040 1.00 4.20 S ATOM 356 CE MET A 336 3.147 2.022 -0.110 1.00 5.08 C ATOM 0 H MET A 336 0.611 4.253 -1.205 1.00 3.70 H new ATOM 0 HA MET A 336 -0.149 6.883 -0.182 1.00 3.47 H new ATOM 0 HB2 MET A 336 1.541 6.363 1.540 1.00 3.41 H new ATOM 0 HB3 MET A 336 0.312 5.118 1.433 1.00 3.41 H new ATOM 0 HG2 MET A 336 3.047 4.919 0.126 1.00 3.73 H new ATOM 0 HG3 MET A 336 2.665 4.267 1.707 1.00 3.73 H new ATOM 0 HE1 MET A 336 2.938 1.053 -0.563 1.00 5.08 H new ATOM 0 HE2 MET A 336 3.890 2.550 -0.708 1.00 5.08 H new ATOM 0 HE3 MET A 336 3.532 1.875 0.899 1.00 5.08 H new ATOM 366 N MET A 337 2.120 8.082 -0.576 1.00 4.13 N ATOM 367 CA MET A 337 3.160 8.919 -1.159 1.00 4.69 C ATOM 368 C MET A 337 4.540 8.438 -0.719 1.00 4.24 C ATOM 369 O MET A 337 4.707 7.884 0.370 1.00 3.85 O ATOM 370 CB MET A 337 2.952 10.381 -0.756 1.00 5.56 C ATOM 371 CG MET A 337 1.589 10.929 -1.141 1.00 6.32 C ATOM 372 SD MET A 337 1.207 10.658 -2.880 1.00 7.23 S ATOM 373 CE MET A 337 -0.469 11.280 -2.959 1.00 8.06 C ATOM 0 H MET A 337 1.689 8.471 0.262 1.00 4.13 H new ATOM 0 HA MET A 337 3.098 8.844 -2.245 1.00 4.69 H new ATOM 0 HB2 MET A 337 3.080 10.474 0.322 1.00 5.56 H new ATOM 0 HB3 MET A 337 3.725 10.991 -1.223 1.00 5.56 H new ATOM 0 HG2 MET A 337 0.823 10.457 -0.526 1.00 6.32 H new ATOM 0 HG3 MET A 337 1.556 11.997 -0.927 1.00 6.32 H new ATOM 0 HE1 MET A 337 -0.847 11.180 -3.977 1.00 8.06 H new ATOM 0 HE2 MET A 337 -1.102 10.709 -2.280 1.00 8.06 H new ATOM 0 HE3 MET A 337 -0.481 12.331 -2.669 1.00 8.06 H new ATOM 383 N GLY A 338 5.521 8.683 -1.585 1.00 4.64 N ATOM 384 CA GLY A 338 6.843 8.104 -1.455 1.00 4.49 C ATOM 385 C GLY A 338 7.572 8.552 -0.218 1.00 4.59 C ATOM 386 O GLY A 338 8.324 7.779 0.371 1.00 4.39 O ATOM 0 H GLY A 338 5.414 9.291 -2.397 1.00 4.64 H new ATOM 0 HA2 GLY A 338 6.756 7.018 -1.443 1.00 4.49 H new ATOM 0 HA3 GLY A 338 7.435 8.367 -2.332 1.00 4.49 H new ATOM 390 N MET A 339 7.382 9.806 0.160 1.00 5.28 N ATOM 391 CA MET A 339 8.055 10.351 1.325 1.00 5.81 C ATOM 392 C MET A 339 7.361 9.921 2.612 1.00 5.61 C ATOM 393 O MET A 339 7.909 10.072 3.702 1.00 6.06 O ATOM 394 CB MET A 339 8.137 11.877 1.241 1.00 6.87 C ATOM 395 CG MET A 339 9.008 12.368 0.100 1.00 7.56 C ATOM 396 SD MET A 339 10.702 11.754 0.215 1.00 8.38 S ATOM 397 CE MET A 339 11.391 12.383 -1.313 1.00 9.13 C ATOM 0 H MET A 339 6.769 10.463 -0.322 1.00 5.28 H new ATOM 0 HA MET A 339 9.070 9.953 1.340 1.00 5.81 H new ATOM 0 HB2 MET A 339 7.132 12.282 1.122 1.00 6.87 H new ATOM 0 HB3 MET A 339 8.528 12.265 2.181 1.00 6.87 H new ATOM 0 HG2 MET A 339 8.573 12.051 -0.848 1.00 7.56 H new ATOM 0 HG3 MET A 339 9.019 13.458 0.097 1.00 7.56 H new ATOM 0 HE1 MET A 339 12.437 12.086 -1.390 1.00 9.13 H new ATOM 0 HE2 MET A 339 10.835 11.976 -2.158 1.00 9.13 H new ATOM 0 HE3 MET A 339 11.321 13.471 -1.323 1.00 9.13 H new ATOM 407 N LEU A 340 6.152 9.388 2.482 1.00 5.18 N ATOM 408 CA LEU A 340 5.430 8.861 3.632 1.00 5.41 C ATOM 409 C LEU A 340 5.849 7.421 3.896 1.00 5.02 C ATOM 410 O LEU A 340 5.893 6.973 5.040 1.00 5.64 O ATOM 411 CB LEU A 340 3.923 8.937 3.405 1.00 5.55 C ATOM 412 CG LEU A 340 3.382 10.335 3.107 1.00 6.05 C ATOM 413 CD1 LEU A 340 1.886 10.282 2.853 1.00 6.16 C ATOM 414 CD2 LEU A 340 3.686 11.282 4.256 1.00 7.07 C ATOM 0 H LEU A 340 5.653 9.310 1.596 1.00 5.18 H new ATOM 0 HA LEU A 340 5.677 9.469 4.503 1.00 5.41 H new ATOM 0 HB2 LEU A 340 3.662 8.279 2.576 1.00 5.55 H new ATOM 0 HB3 LEU A 340 3.418 8.550 4.290 1.00 5.55 H new ATOM 0 HG LEU A 340 3.876 10.709 2.210 1.00 6.05 H new ATOM 0 HD11 LEU A 340 1.517 11.286 2.642 1.00 6.16 H new ATOM 0 HD12 LEU A 340 1.685 9.635 1.999 1.00 6.16 H new ATOM 0 HD13 LEU A 340 1.381 9.887 3.735 1.00 6.16 H new ATOM 0 HD21 LEU A 340 3.293 12.272 4.025 1.00 7.07 H new ATOM 0 HD22 LEU A 340 3.219 10.910 5.168 1.00 7.07 H new ATOM 0 HD23 LEU A 340 4.765 11.344 4.400 1.00 7.07 H new ATOM 426 N ALA A 341 6.161 6.707 2.825 1.00 4.36 N ATOM 427 CA ALA A 341 6.647 5.339 2.924 1.00 4.43 C ATOM 428 C ALA A 341 8.164 5.325 2.783 1.00 4.77 C ATOM 429 O ALA A 341 8.693 5.311 1.670 1.00 5.40 O ATOM 430 CB ALA A 341 5.997 4.464 1.859 1.00 4.13 C ATOM 0 H ALA A 341 6.085 7.056 1.870 1.00 4.36 H new ATOM 0 HA ALA A 341 6.380 4.934 3.900 1.00 4.43 H new ATOM 0 HB1 ALA A 341 6.372 3.444 1.947 1.00 4.13 H new ATOM 0 HB2 ALA A 341 4.916 4.466 1.996 1.00 4.13 H new ATOM 0 HB3 ALA A 341 6.238 4.855 0.870 1.00 4.13 H new ATOM 436 N SER A 342 8.857 5.314 3.915 1.00 4.71 N ATOM 437 CA SER A 342 10.309 5.453 3.934 1.00 5.21 C ATOM 438 C SER A 342 11.011 4.233 3.335 1.00 4.78 C ATOM 439 O SER A 342 12.208 4.282 3.046 1.00 4.60 O ATOM 440 CB SER A 342 10.791 5.695 5.365 1.00 5.76 C ATOM 441 OG SER A 342 10.138 6.823 5.931 1.00 6.25 O ATOM 0 H SER A 342 8.434 5.210 4.837 1.00 4.71 H new ATOM 0 HA SER A 342 10.567 6.311 3.314 1.00 5.21 H new ATOM 0 HB2 SER A 342 10.596 4.812 5.974 1.00 5.76 H new ATOM 0 HB3 SER A 342 11.869 5.853 5.369 1.00 5.76 H new ATOM 0 HG SER A 342 10.458 6.961 6.847 1.00 6.25 H new ATOM 447 N ARG A 343 10.275 3.144 3.144 1.00 4.96 N ATOM 448 CA ARG A 343 10.837 1.969 2.496 1.00 4.86 C ATOM 449 C ARG A 343 10.899 2.174 0.989 1.00 4.76 C ATOM 450 O ARG A 343 9.959 1.854 0.258 1.00 5.40 O ATOM 451 CB ARG A 343 10.041 0.713 2.848 1.00 5.67 C ATOM 452 CG ARG A 343 10.437 0.135 4.193 1.00 6.12 C ATOM 453 CD ARG A 343 11.887 -0.320 4.173 1.00 6.82 C ATOM 454 NE ARG A 343 12.475 -0.376 5.508 1.00 7.18 N ATOM 455 CZ ARG A 343 13.786 -0.371 5.739 1.00 7.92 C ATOM 456 NH1 ARG A 343 14.643 -0.384 4.723 1.00 8.35 N ATOM 457 NH2 ARG A 343 14.239 -0.368 6.986 1.00 8.49 N ATOM 0 H ARG A 343 9.299 3.052 3.426 1.00 4.96 H new ATOM 0 HA ARG A 343 11.853 1.828 2.865 1.00 4.86 H new ATOM 0 HB2 ARG A 343 8.977 0.951 2.857 1.00 5.67 H new ATOM 0 HB3 ARG A 343 10.193 -0.039 2.074 1.00 5.67 H new ATOM 0 HG2 ARG A 343 10.296 0.884 4.973 1.00 6.12 H new ATOM 0 HG3 ARG A 343 9.789 -0.707 4.438 1.00 6.12 H new ATOM 0 HD2 ARG A 343 11.949 -1.305 3.711 1.00 6.82 H new ATOM 0 HD3 ARG A 343 12.469 0.360 3.552 1.00 6.82 H new ATOM 0 HE ARG A 343 11.846 -0.422 6.309 1.00 7.18 H new ATOM 0 HH11 ARG A 343 14.297 -0.398 3.764 1.00 8.35 H new ATOM 0 HH12 ARG A 343 15.647 -0.380 4.903 1.00 8.35 H new ATOM 0 HH21 ARG A 343 13.583 -0.370 7.767 1.00 8.49 H new ATOM 0 HH22 ARG A 343 15.243 -0.364 7.164 1.00 8.49 H new ATOM 471 N GLN A 344 12.015 2.729 0.543 1.00 4.30 N ATOM 472 CA GLN A 344 12.238 3.004 -0.865 1.00 4.47 C ATOM 473 C GLN A 344 13.042 1.868 -1.484 1.00 4.38 C ATOM 474 O GLN A 344 13.922 1.300 -0.833 1.00 4.22 O ATOM 475 CB GLN A 344 12.992 4.327 -1.007 1.00 4.62 C ATOM 476 CG GLN A 344 13.035 4.867 -2.422 1.00 5.14 C ATOM 477 CD GLN A 344 13.861 6.132 -2.523 1.00 5.62 C ATOM 478 OE1 GLN A 344 15.058 6.080 -2.803 1.00 6.10 O ATOM 479 NE2 GLN A 344 13.237 7.271 -2.271 1.00 5.93 N ATOM 0 H GLN A 344 12.790 3.001 1.148 1.00 4.30 H new ATOM 0 HA GLN A 344 11.282 3.081 -1.384 1.00 4.47 H new ATOM 0 HB2 GLN A 344 12.525 5.070 -0.360 1.00 4.62 H new ATOM 0 HB3 GLN A 344 14.013 4.191 -0.651 1.00 4.62 H new ATOM 0 HG2 GLN A 344 13.450 4.109 -3.086 1.00 5.14 H new ATOM 0 HG3 GLN A 344 12.020 5.069 -2.764 1.00 5.14 H new ATOM 0 HE21 GLN A 344 12.243 7.268 -2.043 1.00 5.93 H new ATOM 0 HE22 GLN A 344 13.750 8.152 -2.305 1.00 5.93 H new ATOM 488 N ASN A 345 12.735 1.530 -2.725 1.00 4.85 N ATOM 489 CA ASN A 345 13.416 0.441 -3.402 1.00 4.99 C ATOM 490 C ASN A 345 14.545 0.977 -4.277 1.00 4.91 C ATOM 491 O ASN A 345 14.450 2.076 -4.829 1.00 5.29 O ATOM 492 CB ASN A 345 12.428 -0.391 -4.240 1.00 5.88 C ATOM 493 CG ASN A 345 11.976 0.309 -5.508 1.00 6.35 C ATOM 494 OD1 ASN A 345 11.025 1.092 -5.499 1.00 6.50 O ATOM 495 ND2 ASN A 345 12.633 0.002 -6.615 1.00 6.96 N ATOM 0 H ASN A 345 12.019 1.994 -3.283 1.00 4.85 H new ATOM 0 HA ASN A 345 13.848 -0.212 -2.644 1.00 4.99 H new ATOM 0 HB2 ASN A 345 12.896 -1.339 -4.504 1.00 5.88 H new ATOM 0 HB3 ASN A 345 11.554 -0.625 -3.632 1.00 5.88 H new ATOM 0 HD21 ASN A 345 12.357 0.419 -7.504 1.00 6.96 H new ATOM 0 HD22 ASN A 345 13.415 -0.651 -6.579 1.00 6.96 H new ATOM 502 N GLN A 346 15.620 0.213 -4.371 1.00 4.79 N ATOM 503 CA GLN A 346 16.755 0.575 -5.205 1.00 5.00 C ATOM 504 C GLN A 346 16.949 -0.452 -6.311 1.00 5.26 C ATOM 505 O GLN A 346 16.760 -1.654 -6.102 1.00 5.28 O ATOM 506 CB GLN A 346 18.028 0.697 -4.359 1.00 5.09 C ATOM 507 CG GLN A 346 18.334 -0.542 -3.533 1.00 5.54 C ATOM 508 CD GLN A 346 19.586 -0.394 -2.696 1.00 5.92 C ATOM 509 OE1 GLN A 346 20.685 -0.737 -3.134 1.00 6.41 O ATOM 510 NE2 GLN A 346 19.432 0.113 -1.483 1.00 6.10 N ATOM 0 H GLN A 346 15.731 -0.671 -3.875 1.00 4.79 H new ATOM 0 HA GLN A 346 16.552 1.543 -5.662 1.00 5.00 H new ATOM 0 HB2 GLN A 346 18.873 0.902 -5.017 1.00 5.09 H new ATOM 0 HB3 GLN A 346 17.929 1.553 -3.691 1.00 5.09 H new ATOM 0 HG2 GLN A 346 17.488 -0.755 -2.879 1.00 5.54 H new ATOM 0 HG3 GLN A 346 18.446 -1.398 -4.198 1.00 5.54 H new ATOM 0 HE21 GLN A 346 18.504 0.385 -1.158 1.00 6.10 H new ATOM 0 HE22 GLN A 346 20.241 0.232 -0.873 1.00 6.10 H new ATOM 519 N SER A 347 17.306 0.023 -7.492 1.00 5.76 N ATOM 520 CA SER A 347 17.482 -0.847 -8.643 1.00 6.15 C ATOM 521 C SER A 347 18.932 -1.322 -8.742 1.00 5.87 C ATOM 522 O SER A 347 19.754 -0.712 -9.428 1.00 6.25 O ATOM 523 CB SER A 347 17.076 -0.104 -9.914 1.00 6.93 C ATOM 524 OG SER A 347 15.761 0.420 -9.796 1.00 7.46 O ATOM 0 H SER A 347 17.480 1.010 -7.680 1.00 5.76 H new ATOM 0 HA SER A 347 16.846 -1.724 -8.524 1.00 6.15 H new ATOM 0 HB2 SER A 347 17.779 0.706 -10.107 1.00 6.93 H new ATOM 0 HB3 SER A 347 17.127 -0.780 -10.767 1.00 6.93 H new ATOM 0 HG SER A 347 15.522 0.893 -10.620 1.00 7.46 H new ATOM 530 N GLY A 348 19.243 -2.408 -8.045 1.00 5.53 N ATOM 531 CA GLY A 348 20.590 -2.941 -8.063 1.00 5.54 C ATOM 532 C GLY A 348 21.255 -2.867 -6.703 1.00 5.59 C ATOM 533 O GLY A 348 20.704 -2.274 -5.775 1.00 5.68 O ATOM 0 H GLY A 348 18.584 -2.929 -7.467 1.00 5.53 H new ATOM 0 HA2 GLY A 348 20.564 -3.978 -8.396 1.00 5.54 H new ATOM 0 HA3 GLY A 348 21.188 -2.388 -8.788 1.00 5.54 H new ATOM 537 N PRO A 349 22.453 -3.458 -6.558 1.00 5.91 N ATOM 538 CA PRO A 349 23.181 -3.490 -5.288 1.00 6.29 C ATOM 539 C PRO A 349 23.998 -2.222 -5.051 1.00 6.35 C ATOM 540 O PRO A 349 25.178 -2.281 -4.692 1.00 6.32 O ATOM 541 CB PRO A 349 24.100 -4.698 -5.463 1.00 6.89 C ATOM 542 CG PRO A 349 24.393 -4.745 -6.925 1.00 6.91 C ATOM 543 CD PRO A 349 23.193 -4.150 -7.628 1.00 6.34 C ATOM 0 HA PRO A 349 22.515 -3.554 -4.427 1.00 6.29 H new ATOM 0 HB2 PRO A 349 25.014 -4.587 -4.880 1.00 6.89 H new ATOM 0 HB3 PRO A 349 23.616 -5.615 -5.127 1.00 6.89 H new ATOM 0 HG2 PRO A 349 25.296 -4.181 -7.157 1.00 6.91 H new ATOM 0 HG3 PRO A 349 24.564 -5.770 -7.253 1.00 6.91 H new ATOM 0 HD2 PRO A 349 23.495 -3.459 -8.415 1.00 6.34 H new ATOM 0 HD3 PRO A 349 22.584 -4.922 -8.098 1.00 6.34 H new ATOM 551 N SER A 350 23.365 -1.076 -5.252 1.00 6.79 N ATOM 552 CA SER A 350 24.032 0.209 -5.109 1.00 7.31 C ATOM 553 C SER A 350 24.149 0.607 -3.637 1.00 7.44 C ATOM 554 O SER A 350 24.904 1.516 -3.286 1.00 7.86 O ATOM 555 CB SER A 350 23.260 1.275 -5.886 1.00 8.11 C ATOM 556 OG SER A 350 22.973 0.829 -7.203 1.00 8.24 O ATOM 0 H SER A 350 22.382 -1.010 -5.517 1.00 6.79 H new ATOM 0 HA SER A 350 25.041 0.124 -5.514 1.00 7.31 H new ATOM 0 HB2 SER A 350 22.331 1.509 -5.366 1.00 8.11 H new ATOM 0 HB3 SER A 350 23.843 2.195 -5.928 1.00 8.11 H new ATOM 0 HG SER A 350 22.477 1.525 -7.683 1.00 8.24 H new ATOM 562 N GLY A 351 23.396 -0.079 -2.785 1.00 7.35 N ATOM 563 CA GLY A 351 23.414 0.214 -1.366 1.00 7.72 C ATOM 564 C GLY A 351 24.763 -0.049 -0.729 1.00 7.36 C ATOM 565 O GLY A 351 25.239 0.762 0.069 1.00 7.91 O ATOM 0 H GLY A 351 22.770 -0.838 -3.055 1.00 7.35 H new ATOM 0 HA2 GLY A 351 23.142 1.258 -1.212 1.00 7.72 H new ATOM 0 HA3 GLY A 351 22.657 -0.390 -0.865 1.00 7.72 H new ATOM 569 N ASN A 352 25.373 -1.179 -1.092 1.00 6.68 N ATOM 570 CA ASN A 352 26.671 -1.588 -0.554 1.00 6.65 C ATOM 571 C ASN A 352 26.574 -1.857 0.946 1.00 6.74 C ATOM 572 O ASN A 352 26.767 -0.966 1.774 1.00 7.00 O ATOM 573 CB ASN A 352 27.754 -0.539 -0.851 1.00 6.99 C ATOM 574 CG ASN A 352 29.130 -0.964 -0.365 1.00 7.28 C ATOM 575 OD1 ASN A 352 29.541 -0.635 0.749 1.00 7.60 O ATOM 576 ND2 ASN A 352 29.848 -1.708 -1.194 1.00 7.53 N ATOM 0 H ASN A 352 24.981 -1.836 -1.767 1.00 6.68 H new ATOM 0 HA ASN A 352 26.961 -2.514 -1.051 1.00 6.65 H new ATOM 0 HB2 ASN A 352 27.793 -0.356 -1.925 1.00 6.99 H new ATOM 0 HB3 ASN A 352 27.481 0.404 -0.377 1.00 6.99 H new ATOM 0 HD21 ASN A 352 30.776 -2.029 -0.918 1.00 7.53 H new ATOM 0 HD22 ASN A 352 29.473 -1.960 -2.108 1.00 7.53 H new ATOM 583 N ASN A 353 26.266 -3.098 1.286 1.00 6.86 N ATOM 584 CA ASN A 353 26.130 -3.500 2.680 1.00 7.25 C ATOM 585 C ASN A 353 27.327 -4.328 3.118 1.00 7.06 C ATOM 586 O ASN A 353 27.393 -4.784 4.259 1.00 7.25 O ATOM 587 CB ASN A 353 24.838 -4.298 2.901 1.00 8.01 C ATOM 588 CG ASN A 353 24.724 -5.496 1.978 1.00 8.61 C ATOM 589 OD1 ASN A 353 25.246 -6.574 2.264 1.00 8.84 O ATOM 590 ND2 ASN A 353 24.020 -5.320 0.870 1.00 9.15 N ATOM 0 H ASN A 353 26.105 -3.848 0.614 1.00 6.86 H new ATOM 0 HA ASN A 353 26.085 -2.593 3.283 1.00 7.25 H new ATOM 0 HB2 ASN A 353 24.798 -4.637 3.936 1.00 8.01 H new ATOM 0 HB3 ASN A 353 23.981 -3.643 2.747 1.00 8.01 H new ATOM 0 HD21 ASN A 353 23.894 -6.094 0.217 1.00 9.15 H new ATOM 0 HD22 ASN A 353 23.603 -4.411 0.669 1.00 9.15 H new ATOM 597 N GLN A 354 28.270 -4.513 2.204 1.00 6.98 N ATOM 598 CA GLN A 354 29.462 -5.304 2.478 1.00 7.10 C ATOM 599 C GLN A 354 30.374 -4.567 3.449 1.00 7.21 C ATOM 600 O GLN A 354 30.434 -3.334 3.449 1.00 7.45 O ATOM 601 CB GLN A 354 30.234 -5.603 1.187 1.00 7.49 C ATOM 602 CG GLN A 354 29.414 -6.291 0.103 1.00 7.80 C ATOM 603 CD GLN A 354 28.636 -5.313 -0.758 1.00 8.26 C ATOM 604 OE1 GLN A 354 27.492 -4.969 -0.461 1.00 8.50 O ATOM 605 NE2 GLN A 354 29.255 -4.860 -1.835 1.00 8.68 N ATOM 0 H GLN A 354 28.232 -4.124 1.262 1.00 6.98 H new ATOM 0 HA GLN A 354 29.140 -6.246 2.922 1.00 7.10 H new ATOM 0 HB2 GLN A 354 30.626 -4.667 0.789 1.00 7.49 H new ATOM 0 HB3 GLN A 354 31.092 -6.231 1.429 1.00 7.49 H new ATOM 0 HG2 GLN A 354 30.079 -6.877 -0.532 1.00 7.80 H new ATOM 0 HG3 GLN A 354 28.719 -6.990 0.568 1.00 7.80 H new ATOM 0 HE21 GLN A 354 30.204 -5.170 -2.046 1.00 8.68 H new ATOM 0 HE22 GLN A 354 28.784 -4.201 -2.455 1.00 8.68 H new ATOM 614 N ASN A 355 31.066 -5.324 4.289 1.00 7.39 N ATOM 615 CA ASN A 355 31.997 -4.740 5.245 1.00 7.86 C ATOM 616 C ASN A 355 33.400 -4.714 4.659 1.00 7.88 C ATOM 617 O ASN A 355 34.222 -3.875 5.023 1.00 8.43 O ATOM 618 CB ASN A 355 31.986 -5.519 6.563 1.00 8.36 C ATOM 619 CG ASN A 355 32.840 -4.868 7.639 1.00 9.04 C ATOM 620 OD1 ASN A 355 32.989 -3.646 7.687 1.00 9.34 O ATOM 621 ND2 ASN A 355 33.406 -5.684 8.512 1.00 9.55 N ATOM 0 H ASN A 355 31.001 -6.341 4.328 1.00 7.39 H new ATOM 0 HA ASN A 355 31.681 -3.718 5.452 1.00 7.86 H new ATOM 0 HB2 ASN A 355 30.960 -5.603 6.921 1.00 8.36 H new ATOM 0 HB3 ASN A 355 32.345 -6.532 6.384 1.00 8.36 H new ATOM 0 HD21 ASN A 355 33.990 -5.307 9.258 1.00 9.55 H new ATOM 0 HD22 ASN A 355 33.259 -6.691 8.439 1.00 9.55 H new ATOM 628 N GLN A 356 33.667 -5.632 3.738 1.00 7.55 N ATOM 629 CA GLN A 356 34.950 -5.651 3.050 1.00 7.79 C ATOM 630 C GLN A 356 35.038 -4.458 2.106 1.00 7.86 C ATOM 631 O GLN A 356 34.244 -4.326 1.172 1.00 8.00 O ATOM 632 CB GLN A 356 35.154 -6.959 2.280 1.00 8.09 C ATOM 633 CG GLN A 356 36.537 -7.071 1.650 1.00 8.51 C ATOM 634 CD GLN A 356 36.766 -8.395 0.948 1.00 8.98 C ATOM 635 OE1 GLN A 356 36.138 -9.447 1.452 1.00 9.12 O flip ATOM 636 NE2 GLN A 356 37.515 -8.474 -0.027 1.00 9.48 N flip ATOM 0 H GLN A 356 33.019 -6.366 3.453 1.00 7.55 H new ATOM 0 HA GLN A 356 35.742 -5.584 3.796 1.00 7.79 H new ATOM 0 HB2 GLN A 356 35.000 -7.800 2.956 1.00 8.09 H new ATOM 0 HB3 GLN A 356 34.398 -7.036 1.499 1.00 8.09 H new ATOM 0 HG2 GLN A 356 36.670 -6.260 0.935 1.00 8.51 H new ATOM 0 HG3 GLN A 356 37.294 -6.941 2.424 1.00 8.51 H new ATOM 0 HE21 GLN A 356 37.979 -7.638 -0.383 1.00 9.48 H new ATOM 0 HE22 GLN A 356 37.671 -9.375 -0.478 1.00 9.48 H new ATOM 645 N GLY A 357 35.992 -3.581 2.370 1.00 8.09 N ATOM 646 CA GLY A 357 36.109 -2.359 1.601 1.00 8.52 C ATOM 647 C GLY A 357 35.512 -1.185 2.351 1.00 8.74 C ATOM 648 O GLY A 357 35.565 -0.042 1.891 1.00 9.34 O ATOM 0 H GLY A 357 36.690 -3.693 3.105 1.00 8.09 H new ATOM 0 HA2 GLY A 357 37.159 -2.161 1.384 1.00 8.52 H new ATOM 0 HA3 GLY A 357 35.603 -2.478 0.643 1.00 8.52 H new ATOM 652 N ASN A 358 34.936 -1.477 3.509 1.00 8.53 N ATOM 653 CA ASN A 358 34.337 -0.459 4.358 1.00 9.03 C ATOM 654 C ASN A 358 35.293 -0.073 5.480 1.00 9.56 C ATOM 655 O ASN A 358 35.612 -0.888 6.349 1.00 9.97 O ATOM 656 CB ASN A 358 33.005 -0.959 4.937 1.00 8.90 C ATOM 657 CG ASN A 358 32.491 -0.093 6.074 1.00 9.11 C ATOM 658 OD1 ASN A 358 31.826 0.917 5.849 1.00 9.38 O ATOM 659 ND2 ASN A 358 32.774 -0.500 7.303 1.00 9.24 N ATOM 0 H ASN A 358 34.871 -2.423 3.885 1.00 8.53 H new ATOM 0 HA ASN A 358 34.140 0.425 3.752 1.00 9.03 H new ATOM 0 HB2 ASN A 358 32.258 -0.988 4.144 1.00 8.90 H new ATOM 0 HB3 ASN A 358 33.131 -1.981 5.294 1.00 8.90 H new ATOM 0 HD21 ASN A 358 32.437 0.031 8.106 1.00 9.24 H new ATOM 0 HD22 ASN A 358 33.329 -1.344 7.446 1.00 9.24 H new ATOM 666 N MET A 359 35.778 1.156 5.431 1.00 9.75 N ATOM 667 CA MET A 359 36.635 1.685 6.480 1.00 10.44 C ATOM 668 C MET A 359 36.030 2.952 7.063 1.00 10.94 C ATOM 669 O MET A 359 35.861 3.945 6.358 1.00 10.94 O ATOM 670 CB MET A 359 38.035 1.986 5.936 1.00 10.66 C ATOM 671 CG MET A 359 38.821 0.750 5.543 1.00 10.96 C ATOM 672 SD MET A 359 40.457 1.148 4.895 1.00 11.53 S ATOM 673 CE MET A 359 41.162 2.056 6.270 1.00 12.03 C ATOM 0 H MET A 359 35.592 1.810 4.671 1.00 9.75 H new ATOM 0 HA MET A 359 36.718 0.932 7.264 1.00 10.44 H new ATOM 0 HB2 MET A 359 37.944 2.638 5.067 1.00 10.66 H new ATOM 0 HB3 MET A 359 38.597 2.537 6.691 1.00 10.66 H new ATOM 0 HG2 MET A 359 38.926 0.099 6.411 1.00 10.96 H new ATOM 0 HG3 MET A 359 38.262 0.192 4.792 1.00 10.96 H new ATOM 0 HE1 MET A 359 42.248 2.077 6.174 1.00 12.03 H new ATOM 0 HE2 MET A 359 40.778 3.076 6.267 1.00 12.03 H new ATOM 0 HE3 MET A 359 40.890 1.568 7.206 1.00 12.03 H new ATOM 683 N GLN A 360 35.687 2.910 8.338 1.00 11.57 N ATOM 684 CA GLN A 360 35.133 4.072 9.010 1.00 12.30 C ATOM 685 C GLN A 360 35.803 4.251 10.364 1.00 12.97 C ATOM 686 O GLN A 360 35.515 3.454 11.280 1.00 13.47 O ATOM 687 CB GLN A 360 33.617 3.939 9.179 1.00 12.66 C ATOM 688 CG GLN A 360 32.961 5.170 9.789 1.00 12.82 C ATOM 689 CD GLN A 360 31.450 5.073 9.811 1.00 13.18 C ATOM 690 OE1 GLN A 360 30.853 4.595 10.777 1.00 13.44 O ATOM 691 NE2 GLN A 360 30.823 5.523 8.738 1.00 13.37 N ATOM 692 OXT GLN A 360 36.620 5.177 10.504 1.00 13.14 O ATOM 0 H GLN A 360 35.782 2.084 8.929 1.00 11.57 H new ATOM 0 HA GLN A 360 35.325 4.951 8.395 1.00 12.30 H new ATOM 0 HB2 GLN A 360 33.167 3.743 8.206 1.00 12.66 H new ATOM 0 HB3 GLN A 360 33.404 3.075 9.808 1.00 12.66 H new ATOM 0 HG2 GLN A 360 33.328 5.306 10.806 1.00 12.82 H new ATOM 0 HG3 GLN A 360 33.257 6.053 9.223 1.00 12.82 H new ATOM 0 HE21 GLN A 360 31.357 5.911 7.960 1.00 13.37 H new ATOM 0 HE22 GLN A 360 29.805 5.482 8.687 1.00 13.37 H new TER 701 GLN A 360