USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 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 Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.00097) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc=-0.00285 X(o=-0.0028,f=0) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl 168:sc= -0.0215 (180deg=-0.238) USER MOD Single : A 327 GLN :FLIP amide:sc= -0.0135 F(o=-1.3,f=-0.014) USER MOD Single : A 331 GLN : amide:sc= 0.042 X(o=0.042,f=-0.35) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 70:sc= 0.13 USER MOD Single : A 336 MET CE :methyl 136:sc= -0.207 (180deg=-0.88) 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= -0.562 K(o=-0.56,f=-2.2) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 347 SER OG : rot 180:sc=0.000197 USER MOD Single : A 350 SER OG : rot -29:sc= 0.11 USER MOD Single : A 352 ASN :FLIP amide:sc= -0.0732 F(o=-1.4!,f=-0.073) USER MOD Single : A 353 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.4!) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 ASN : amide:sc= -0.97 K(o=-0.97,f=-2.9) USER MOD Single : A 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 358 ASN :FLIP amide:sc= -0.266 F(o=-1.2!,f=-0.27) USER MOD Single : A 359 MET CE :methyl -163:sc= -0.088 (180deg=-0.498) USER MOD Single : A 360 GLN :FLIP amide:sc= -0.0682 F(o=-1,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -36.838 -7.840 8.085 1.00 15.10 N ATOM 2 CA MET A 311 -37.212 -7.082 6.868 1.00 14.91 C ATOM 3 C MET A 311 -36.379 -7.543 5.682 1.00 14.01 C ATOM 4 O MET A 311 -35.420 -8.296 5.838 1.00 13.92 O ATOM 5 CB MET A 311 -37.017 -5.577 7.082 1.00 15.49 C ATOM 6 CG MET A 311 -38.105 -4.915 7.921 1.00 16.12 C ATOM 7 SD MET A 311 -38.212 -5.573 9.597 1.00 16.98 S ATOM 8 CE MET A 311 -39.548 -4.578 10.259 1.00 17.92 C ATOM 0 HA MET A 311 -38.265 -7.272 6.662 1.00 14.91 H new ATOM 0 HB2 MET A 311 -36.053 -5.412 7.563 1.00 15.49 H new ATOM 0 HB3 MET A 311 -36.976 -5.086 6.110 1.00 15.49 H new ATOM 0 HG2 MET A 311 -37.914 -3.843 7.970 1.00 16.12 H new ATOM 0 HG3 MET A 311 -39.067 -5.045 7.425 1.00 16.12 H new ATOM 0 HE1 MET A 311 -39.737 -4.865 11.293 1.00 17.92 H new ATOM 0 HE2 MET A 311 -39.271 -3.524 10.219 1.00 17.92 H new ATOM 0 HE3 MET A 311 -40.449 -4.739 9.667 1.00 17.92 H new ATOM 20 N ASN A 312 -36.758 -7.096 4.494 1.00 13.49 N ATOM 21 CA ASN A 312 -36.034 -7.429 3.274 1.00 12.74 C ATOM 22 C ASN A 312 -35.662 -6.154 2.528 1.00 12.32 C ATOM 23 O ASN A 312 -35.607 -6.116 1.296 1.00 12.29 O ATOM 24 CB ASN A 312 -36.872 -8.361 2.381 1.00 12.63 C ATOM 25 CG ASN A 312 -38.193 -7.752 1.939 1.00 12.56 C ATOM 26 OD1 ASN A 312 -39.202 -7.853 2.640 1.00 12.43 O ATOM 27 ND2 ASN A 312 -38.204 -7.139 0.766 1.00 12.87 N ATOM 0 H ASN A 312 -37.570 -6.496 4.348 1.00 13.49 H new ATOM 0 HA ASN A 312 -35.119 -7.957 3.541 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -36.290 -8.626 1.498 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -37.071 -9.287 2.921 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -39.069 -6.729 0.413 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -37.348 -7.076 0.215 1.00 12.87 H new ATOM 34 N PHE A 313 -35.390 -5.109 3.297 1.00 12.16 N ATOM 35 CA PHE A 313 -35.080 -3.802 2.743 1.00 11.96 C ATOM 36 C PHE A 313 -33.619 -3.744 2.307 1.00 11.11 C ATOM 37 O PHE A 313 -32.717 -4.080 3.077 1.00 11.29 O ATOM 38 CB PHE A 313 -35.374 -2.714 3.779 1.00 12.55 C ATOM 39 CG PHE A 313 -35.297 -1.316 3.234 1.00 13.17 C ATOM 40 CD1 PHE A 313 -36.385 -0.743 2.596 1.00 13.57 C ATOM 41 CD2 PHE A 313 -34.129 -0.581 3.350 1.00 13.49 C ATOM 42 CE1 PHE A 313 -36.313 0.541 2.094 1.00 14.27 C ATOM 43 CE2 PHE A 313 -34.051 0.704 2.851 1.00 14.21 C ATOM 44 CZ PHE A 313 -35.166 1.271 2.231 1.00 14.59 C ATOM 0 H PHE A 313 -35.378 -5.144 4.316 1.00 12.16 H new ATOM 0 HA PHE A 313 -35.706 -3.631 1.867 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -36.370 -2.878 4.191 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -34.668 -2.811 4.604 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -37.300 -1.307 2.490 1.00 13.57 H new ATOM 0 HD2 PHE A 313 -33.269 -1.018 3.836 1.00 13.49 H new ATOM 0 HE1 PHE A 313 -37.167 0.970 1.591 1.00 14.27 H new ATOM 0 HE2 PHE A 313 -33.134 1.267 2.940 1.00 14.21 H new ATOM 0 HZ PHE A 313 -35.122 2.284 1.860 1.00 14.59 H new ATOM 54 N GLY A 314 -33.400 -3.347 1.061 1.00 10.31 N ATOM 55 CA GLY A 314 -32.056 -3.233 0.540 1.00 9.52 C ATOM 56 C GLY A 314 -31.666 -4.445 -0.281 1.00 8.89 C ATOM 57 O GLY A 314 -30.563 -4.511 -0.814 1.00 8.22 O ATOM 0 H GLY A 314 -34.136 -3.101 0.399 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -31.980 -2.337 -0.076 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -31.355 -3.113 1.366 1.00 9.52 H new ATOM 61 N ALA A 315 -32.581 -5.399 -0.393 1.00 9.30 N ATOM 62 CA ALA A 315 -32.312 -6.636 -1.110 1.00 9.10 C ATOM 63 C ALA A 315 -32.516 -6.454 -2.607 1.00 8.51 C ATOM 64 O ALA A 315 -31.856 -7.102 -3.419 1.00 8.20 O ATOM 65 CB ALA A 315 -33.205 -7.751 -0.593 1.00 10.04 C ATOM 0 H ALA A 315 -33.518 -5.338 0.005 1.00 9.30 H new ATOM 0 HA ALA A 315 -31.270 -6.907 -0.937 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -32.992 -8.670 -1.139 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -33.014 -7.907 0.469 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -34.250 -7.477 -0.737 1.00 10.04 H new ATOM 71 N PHE A 316 -33.435 -5.566 -2.975 1.00 8.63 N ATOM 72 CA PHE A 316 -33.722 -5.316 -4.383 1.00 8.47 C ATOM 73 C PHE A 316 -32.834 -4.204 -4.924 1.00 7.73 C ATOM 74 O PHE A 316 -32.833 -3.915 -6.120 1.00 7.72 O ATOM 75 CB PHE A 316 -35.197 -4.963 -4.572 1.00 9.29 C ATOM 76 CG PHE A 316 -36.127 -6.061 -4.152 1.00 10.04 C ATOM 77 CD1 PHE A 316 -36.313 -7.173 -4.956 1.00 10.37 C ATOM 78 CD2 PHE A 316 -36.808 -5.986 -2.949 1.00 10.61 C ATOM 79 CE1 PHE A 316 -37.164 -8.188 -4.568 1.00 11.22 C ATOM 80 CE2 PHE A 316 -37.660 -6.997 -2.557 1.00 11.44 C ATOM 81 CZ PHE A 316 -37.838 -8.101 -3.365 1.00 11.73 C ATOM 0 H PHE A 316 -33.990 -5.011 -2.323 1.00 8.63 H new ATOM 0 HA PHE A 316 -33.509 -6.226 -4.943 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -35.425 -4.064 -3.999 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -35.375 -4.726 -5.621 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -35.787 -7.247 -5.896 1.00 10.37 H new ATOM 0 HD2 PHE A 316 -36.670 -5.126 -2.310 1.00 10.61 H new ATOM 0 HE1 PHE A 316 -37.303 -9.050 -5.204 1.00 11.22 H new ATOM 0 HE2 PHE A 316 -38.188 -6.925 -1.618 1.00 11.44 H new ATOM 0 HZ PHE A 316 -38.502 -8.895 -3.058 1.00 11.73 H new ATOM 91 N SER A 317 -32.074 -3.588 -4.033 1.00 7.38 N ATOM 92 CA SER A 317 -31.142 -2.545 -4.417 1.00 6.88 C ATOM 93 C SER A 317 -29.932 -3.159 -5.118 1.00 6.15 C ATOM 94 O SER A 317 -29.379 -4.160 -4.660 1.00 6.12 O ATOM 95 CB SER A 317 -30.707 -1.766 -3.179 1.00 7.20 C ATOM 96 OG SER A 317 -31.835 -1.273 -2.472 1.00 8.01 O ATOM 0 H SER A 317 -32.086 -3.795 -3.034 1.00 7.38 H new ATOM 0 HA SER A 317 -31.630 -1.859 -5.110 1.00 6.88 H new ATOM 0 HB2 SER A 317 -30.117 -2.410 -2.527 1.00 7.20 H new ATOM 0 HB3 SER A 317 -30.065 -0.936 -3.473 1.00 7.20 H new ATOM 0 HG SER A 317 -31.535 -0.778 -1.681 1.00 8.01 H new ATOM 102 N ILE A 318 -29.537 -2.564 -6.236 1.00 5.89 N ATOM 103 CA ILE A 318 -28.479 -3.120 -7.064 1.00 5.46 C ATOM 104 C ILE A 318 -27.113 -2.582 -6.646 1.00 5.05 C ATOM 105 O ILE A 318 -26.157 -3.342 -6.503 1.00 5.20 O ATOM 106 CB ILE A 318 -28.717 -2.807 -8.560 1.00 5.77 C ATOM 107 CG1 ILE A 318 -30.064 -3.377 -9.021 1.00 6.39 C ATOM 108 CG2 ILE A 318 -27.585 -3.354 -9.417 1.00 5.87 C ATOM 109 CD1 ILE A 318 -30.168 -4.884 -8.902 1.00 6.93 C ATOM 0 H ILE A 318 -29.936 -1.694 -6.590 1.00 5.89 H new ATOM 0 HA ILE A 318 -28.494 -4.200 -6.921 1.00 5.46 H new ATOM 0 HB ILE A 318 -28.740 -1.724 -8.680 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -30.860 -2.920 -8.433 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -30.231 -3.092 -10.060 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -27.776 -3.121 -10.464 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -26.643 -2.899 -9.110 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -27.523 -4.435 -9.291 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -31.149 -5.209 -9.247 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -29.395 -5.351 -9.512 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -30.034 -5.177 -7.861 1.00 6.93 H new ATOM 121 N ASN A 319 -27.032 -1.277 -6.442 1.00 4.90 N ATOM 122 CA ASN A 319 -25.768 -0.640 -6.102 1.00 4.82 C ATOM 123 C ASN A 319 -25.525 -0.704 -4.593 1.00 4.38 C ATOM 124 O ASN A 319 -26.369 -0.280 -3.799 1.00 4.39 O ATOM 125 CB ASN A 319 -25.759 0.811 -6.587 1.00 5.38 C ATOM 126 CG ASN A 319 -24.398 1.468 -6.438 1.00 6.06 C ATOM 127 OD1 ASN A 319 -23.544 1.364 -7.320 1.00 6.44 O ATOM 128 ND2 ASN A 319 -24.190 2.165 -5.333 1.00 6.59 N ATOM 0 H ASN A 319 -27.825 -0.638 -6.506 1.00 4.90 H new ATOM 0 HA ASN A 319 -24.962 -1.177 -6.601 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -26.061 0.842 -7.634 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -26.498 1.383 -6.025 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -23.298 2.639 -5.189 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -24.921 2.228 -4.625 1.00 6.59 H new ATOM 135 N PRO A 320 -24.370 -1.258 -4.189 1.00 4.41 N ATOM 136 CA PRO A 320 -23.993 -1.401 -2.775 1.00 4.37 C ATOM 137 C PRO A 320 -23.737 -0.061 -2.092 1.00 4.34 C ATOM 138 O PRO A 320 -23.496 0.956 -2.747 1.00 4.65 O ATOM 139 CB PRO A 320 -22.695 -2.223 -2.825 1.00 4.92 C ATOM 140 CG PRO A 320 -22.635 -2.789 -4.203 1.00 5.28 C ATOM 141 CD PRO A 320 -23.340 -1.798 -5.079 1.00 4.99 C ATOM 0 HA PRO A 320 -24.792 -1.867 -2.198 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -21.826 -1.598 -2.619 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -22.703 -3.014 -2.076 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -21.603 -2.930 -4.524 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -23.119 -3.765 -4.247 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -22.665 -1.020 -5.436 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -23.774 -2.272 -5.960 1.00 4.99 H new ATOM 149 N ALA A 321 -23.775 -0.076 -0.767 1.00 4.38 N ATOM 150 CA ALA A 321 -23.570 1.125 0.031 1.00 4.73 C ATOM 151 C ALA A 321 -22.682 0.799 1.220 1.00 4.87 C ATOM 152 O ALA A 321 -21.668 1.455 1.456 1.00 4.83 O ATOM 153 CB ALA A 321 -24.901 1.693 0.495 1.00 5.47 C ATOM 0 H ALA A 321 -23.948 -0.917 -0.217 1.00 4.38 H new ATOM 0 HA ALA A 321 -23.079 1.881 -0.582 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -24.726 2.590 1.090 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -25.511 1.946 -0.372 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -25.422 0.952 1.101 1.00 5.47 H new ATOM 159 N MET A 322 -23.064 -0.242 1.950 1.00 5.24 N ATOM 160 CA MET A 322 -22.273 -0.735 3.067 1.00 5.76 C ATOM 161 C MET A 322 -20.931 -1.255 2.561 1.00 5.34 C ATOM 162 O MET A 322 -19.890 -1.043 3.185 1.00 5.57 O ATOM 163 CB MET A 322 -23.036 -1.856 3.773 1.00 6.52 C ATOM 164 CG MET A 322 -24.335 -1.403 4.417 1.00 7.25 C ATOM 165 SD MET A 322 -24.069 -0.282 5.804 1.00 8.01 S ATOM 166 CE MET A 322 -25.760 0.147 6.214 1.00 8.63 C ATOM 0 H MET A 322 -23.925 -0.764 1.785 1.00 5.24 H new ATOM 0 HA MET A 322 -22.093 0.077 3.771 1.00 5.76 H new ATOM 0 HB2 MET A 322 -23.254 -2.644 3.052 1.00 6.52 H new ATOM 0 HB3 MET A 322 -22.395 -2.293 4.539 1.00 6.52 H new ATOM 0 HG2 MET A 322 -24.954 -0.908 3.668 1.00 7.25 H new ATOM 0 HG3 MET A 322 -24.889 -2.276 4.762 1.00 7.25 H new ATOM 0 HE1 MET A 322 -25.766 0.838 7.057 1.00 8.63 H new ATOM 0 HE2 MET A 322 -26.234 0.620 5.354 1.00 8.63 H new ATOM 0 HE3 MET A 322 -26.310 -0.756 6.481 1.00 8.63 H new ATOM 176 N MET A 323 -20.965 -1.895 1.400 1.00 4.92 N ATOM 177 CA MET A 323 -19.759 -2.423 0.771 1.00 4.86 C ATOM 178 C MET A 323 -19.000 -1.313 0.057 1.00 4.19 C ATOM 179 O MET A 323 -17.792 -1.409 -0.170 1.00 4.23 O ATOM 180 CB MET A 323 -20.127 -3.535 -0.217 1.00 5.17 C ATOM 181 CG MET A 323 -20.776 -4.740 0.444 1.00 5.75 C ATOM 182 SD MET A 323 -21.474 -5.899 -0.748 1.00 6.61 S ATOM 183 CE MET A 323 -20.005 -6.393 -1.651 1.00 7.32 C ATOM 0 H MET A 323 -21.821 -2.063 0.870 1.00 4.92 H new ATOM 0 HA MET A 323 -19.114 -2.838 1.546 1.00 4.86 H new ATOM 0 HB2 MET A 323 -20.806 -3.133 -0.969 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.227 -3.858 -0.741 1.00 5.17 H new ATOM 0 HG2 MET A 323 -20.036 -5.256 1.055 1.00 5.75 H new ATOM 0 HG3 MET A 323 -21.563 -4.400 1.117 1.00 5.75 H new ATOM 0 HE1 MET A 323 -20.234 -7.257 -2.274 1.00 7.32 H new ATOM 0 HE2 MET A 323 -19.672 -5.569 -2.282 1.00 7.32 H new ATOM 0 HE3 MET A 323 -19.215 -6.653 -0.946 1.00 7.32 H new ATOM 193 N ALA A 324 -19.716 -0.241 -0.263 1.00 3.85 N ATOM 194 CA ALA A 324 -19.138 0.892 -0.969 1.00 3.64 C ATOM 195 C ALA A 324 -18.123 1.620 -0.092 1.00 3.69 C ATOM 196 O ALA A 324 -17.175 2.230 -0.589 1.00 3.64 O ATOM 197 CB ALA A 324 -20.239 1.837 -1.428 1.00 3.87 C ATOM 0 H ALA A 324 -20.706 -0.135 -0.042 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.610 0.522 -1.848 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.797 2.682 -1.955 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.918 1.307 -2.096 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.792 2.199 -0.561 1.00 3.87 H new ATOM 203 N ALA A 325 -18.324 1.547 1.220 1.00 4.10 N ATOM 204 CA ALA A 325 -17.384 2.120 2.174 1.00 4.50 C ATOM 205 C ALA A 325 -16.070 1.346 2.152 1.00 4.36 C ATOM 206 O ALA A 325 -14.987 1.932 2.149 1.00 4.39 O ATOM 207 CB ALA A 325 -17.978 2.114 3.575 1.00 5.40 C ATOM 0 H ALA A 325 -19.133 1.095 1.647 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.185 3.153 1.887 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.263 2.545 4.275 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.895 2.703 3.584 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.202 1.089 3.871 1.00 5.40 H new ATOM 213 N ALA A 326 -16.179 0.020 2.115 1.00 4.45 N ATOM 214 CA ALA A 326 -15.014 -0.854 2.069 1.00 4.76 C ATOM 215 C ALA A 326 -14.215 -0.625 0.793 1.00 4.25 C ATOM 216 O ALA A 326 -12.985 -0.592 0.813 1.00 4.39 O ATOM 217 CB ALA A 326 -15.439 -2.311 2.177 1.00 5.39 C ATOM 0 H ALA A 326 -17.071 -0.474 2.116 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.374 -0.615 2.918 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.557 -2.951 2.141 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -15.963 -2.468 3.120 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.101 -2.559 1.348 1.00 5.39 H new ATOM 223 N GLN A 327 -14.925 -0.457 -0.321 1.00 3.89 N ATOM 224 CA GLN A 327 -14.288 -0.188 -1.606 1.00 3.88 C ATOM 225 C GLN A 327 -13.503 1.121 -1.569 1.00 3.54 C ATOM 226 O GLN A 327 -12.427 1.228 -2.162 1.00 3.70 O ATOM 227 CB GLN A 327 -15.337 -0.145 -2.727 1.00 4.13 C ATOM 228 CG GLN A 327 -15.988 -1.486 -3.011 1.00 4.57 C ATOM 229 CD GLN A 327 -16.959 -1.438 -4.178 1.00 5.04 C ATOM 230 OE1 GLN A 327 -16.716 -0.538 -5.119 1.00 5.37 O flip ATOM 231 NE2 GLN A 327 -17.922 -2.204 -4.231 1.00 5.52 N flip ATOM 0 H GLN A 327 -15.943 -0.503 -0.358 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.588 -0.999 -1.808 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -16.111 0.574 -2.460 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.865 0.219 -3.639 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -15.213 -2.223 -3.220 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -16.516 -1.824 -2.119 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -18.075 -2.884 -3.486 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -18.567 -2.159 -5.020 1.00 5.52 H new ATOM 240 N ALA A 328 -14.033 2.105 -0.856 1.00 3.40 N ATOM 241 CA ALA A 328 -13.381 3.403 -0.745 1.00 3.60 C ATOM 242 C ALA A 328 -12.193 3.341 0.212 1.00 3.61 C ATOM 243 O ALA A 328 -11.222 4.082 0.061 1.00 3.68 O ATOM 244 CB ALA A 328 -14.374 4.459 -0.284 1.00 4.16 C ATOM 0 H ALA A 328 -14.913 2.029 -0.346 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.008 3.677 -1.732 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -13.871 5.423 -0.206 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.188 4.532 -1.005 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.776 4.180 0.690 1.00 4.16 H new ATOM 250 N ALA A 329 -12.271 2.446 1.190 1.00 3.87 N ATOM 251 CA ALA A 329 -11.207 2.288 2.169 1.00 4.31 C ATOM 252 C ALA A 329 -9.928 1.788 1.506 1.00 4.02 C ATOM 253 O ALA A 329 -8.839 2.297 1.772 1.00 4.18 O ATOM 254 CB ALA A 329 -11.641 1.333 3.271 1.00 5.14 C ATOM 0 H ALA A 329 -13.063 1.818 1.325 1.00 3.87 H new ATOM 0 HA ALA A 329 -11.002 3.263 2.611 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -10.835 1.224 3.997 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.526 1.730 3.769 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -11.874 0.360 2.838 1.00 5.14 H new ATOM 260 N LEU A 330 -10.074 0.799 0.631 1.00 3.86 N ATOM 261 CA LEU A 330 -8.940 0.203 -0.066 1.00 4.05 C ATOM 262 C LEU A 330 -8.163 1.245 -0.862 1.00 3.61 C ATOM 263 O LEU A 330 -6.930 1.228 -0.889 1.00 3.83 O ATOM 264 CB LEU A 330 -9.427 -0.904 -1.004 1.00 4.52 C ATOM 265 CG LEU A 330 -10.139 -2.070 -0.319 1.00 5.18 C ATOM 266 CD1 LEU A 330 -10.650 -3.058 -1.353 1.00 5.96 C ATOM 267 CD2 LEU A 330 -9.204 -2.754 0.660 1.00 5.66 C ATOM 0 H LEU A 330 -10.976 0.390 0.386 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.271 -0.218 0.684 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.104 -0.465 -1.737 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -8.571 -1.295 -1.555 1.00 4.52 H new ATOM 0 HG LEU A 330 -10.994 -1.682 0.235 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -11.155 -3.883 -0.850 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -11.351 -2.556 -2.020 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -9.812 -3.445 -1.932 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -9.724 -3.583 1.141 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -8.332 -3.133 0.126 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -8.883 -2.039 1.417 1.00 5.66 H new ATOM 279 N GLN A 331 -8.897 2.155 -1.492 1.00 3.29 N ATOM 280 CA GLN A 331 -8.306 3.206 -2.313 1.00 3.38 C ATOM 281 C GLN A 331 -7.477 4.163 -1.460 1.00 3.36 C ATOM 282 O GLN A 331 -6.543 4.805 -1.944 1.00 3.53 O ATOM 283 CB GLN A 331 -9.407 3.977 -3.041 1.00 3.75 C ATOM 284 CG GLN A 331 -10.352 3.082 -3.825 1.00 4.36 C ATOM 285 CD GLN A 331 -11.514 3.843 -4.429 1.00 4.72 C ATOM 286 OE1 GLN A 331 -11.388 5.010 -4.800 1.00 5.26 O ATOM 287 NE2 GLN A 331 -12.664 3.193 -4.511 1.00 4.88 N ATOM 0 H GLN A 331 -9.916 2.186 -1.449 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.646 2.740 -3.045 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.981 4.550 -2.313 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -8.949 4.694 -3.722 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -9.797 2.583 -4.620 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -10.737 2.302 -3.167 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -12.727 2.226 -4.193 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -13.487 3.659 -4.893 1.00 4.88 H new ATOM 296 N SER A 332 -7.826 4.255 -0.187 1.00 3.52 N ATOM 297 CA SER A 332 -7.156 5.168 0.718 1.00 4.01 C ATOM 298 C SER A 332 -5.928 4.506 1.347 1.00 4.13 C ATOM 299 O SER A 332 -4.905 5.160 1.559 1.00 4.40 O ATOM 300 CB SER A 332 -8.137 5.637 1.797 1.00 4.82 C ATOM 301 OG SER A 332 -7.546 6.588 2.665 1.00 5.25 O ATOM 0 H SER A 332 -8.571 3.706 0.241 1.00 3.52 H new ATOM 0 HA SER A 332 -6.812 6.035 0.155 1.00 4.01 H new ATOM 0 HB2 SER A 332 -9.017 6.073 1.324 1.00 4.82 H new ATOM 0 HB3 SER A 332 -8.479 4.779 2.376 1.00 4.82 H new ATOM 0 HG SER A 332 -8.200 6.866 3.340 1.00 5.25 H new ATOM 307 N SER A 333 -6.029 3.208 1.622 1.00 4.24 N ATOM 308 CA SER A 333 -4.934 2.462 2.217 1.00 4.87 C ATOM 309 C SER A 333 -3.741 2.366 1.264 1.00 4.69 C ATOM 310 O SER A 333 -2.609 2.680 1.641 1.00 5.07 O ATOM 311 CB SER A 333 -5.397 1.059 2.617 1.00 5.50 C ATOM 312 OG SER A 333 -6.481 1.117 3.532 1.00 6.18 O ATOM 0 H SER A 333 -6.865 2.652 1.439 1.00 4.24 H new ATOM 0 HA SER A 333 -4.614 3.001 3.109 1.00 4.87 H new ATOM 0 HB2 SER A 333 -5.698 0.505 1.728 1.00 5.50 H new ATOM 0 HB3 SER A 333 -4.567 0.514 3.067 1.00 5.50 H new ATOM 0 HG SER A 333 -7.281 1.446 3.071 1.00 6.18 H new ATOM 318 N TRP A 334 -3.999 1.939 0.035 1.00 4.36 N ATOM 319 CA TRP A 334 -2.947 1.803 -0.964 1.00 4.61 C ATOM 320 C TRP A 334 -3.353 2.499 -2.251 1.00 4.24 C ATOM 321 O TRP A 334 -4.538 2.575 -2.581 1.00 3.98 O ATOM 322 CB TRP A 334 -2.614 0.331 -1.212 1.00 5.51 C ATOM 323 CG TRP A 334 -1.904 -0.304 -0.052 1.00 6.03 C ATOM 324 CD1 TRP A 334 -2.464 -1.017 0.971 1.00 6.54 C ATOM 325 CD2 TRP A 334 -0.499 -0.255 0.214 1.00 6.46 C ATOM 326 NE1 TRP A 334 -1.489 -1.416 1.856 1.00 7.16 N ATOM 327 CE2 TRP A 334 -0.275 -0.963 1.411 1.00 7.11 C ATOM 328 CE3 TRP A 334 0.596 0.315 -0.445 1.00 6.66 C ATOM 329 CZ2 TRP A 334 0.998 -1.114 1.960 1.00 7.83 C ATOM 330 CZ3 TRP A 334 1.856 0.165 0.104 1.00 7.45 C ATOM 331 CH2 TRP A 334 2.047 -0.546 1.294 1.00 7.97 C ATOM 0 H TRP A 334 -4.929 1.680 -0.295 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.045 2.283 -0.585 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -3.534 -0.217 -1.414 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -1.992 0.248 -2.103 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -3.517 -1.235 1.070 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -1.645 -1.960 2.705 1.00 7.16 H new ATOM 0 HE3 TRP A 334 0.459 0.862 -1.366 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 1.149 -1.661 2.879 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 2.708 0.604 -0.394 1.00 7.45 H new ATOM 0 HH2 TRP A 334 3.045 -0.648 1.694 1.00 7.97 H new ATOM 342 N GLY A 335 -2.368 2.990 -2.982 1.00 4.55 N ATOM 343 CA GLY A 335 -2.643 3.896 -4.070 1.00 4.68 C ATOM 344 C GLY A 335 -2.730 5.301 -3.532 1.00 4.16 C ATOM 345 O GLY A 335 -3.564 6.100 -3.961 1.00 4.48 O ATOM 0 H GLY A 335 -1.381 2.776 -2.840 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -1.857 3.830 -4.822 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -3.577 3.622 -4.560 1.00 4.68 H new ATOM 349 N MET A 336 -1.854 5.587 -2.571 1.00 3.70 N ATOM 350 CA MET A 336 -1.905 6.821 -1.800 1.00 3.47 C ATOM 351 C MET A 336 -1.788 8.048 -2.687 1.00 3.74 C ATOM 352 O MET A 336 -0.949 8.114 -3.586 1.00 4.01 O ATOM 353 CB MET A 336 -0.803 6.832 -0.735 1.00 3.41 C ATOM 354 CG MET A 336 0.611 6.756 -1.294 1.00 3.73 C ATOM 355 SD MET A 336 1.862 6.654 0.005 1.00 4.20 S ATOM 356 CE MET A 336 1.409 5.106 0.791 1.00 5.08 C ATOM 0 H MET A 336 -1.089 4.967 -2.307 1.00 3.70 H new ATOM 0 HA MET A 336 -2.878 6.859 -1.310 1.00 3.47 H new ATOM 0 HB2 MET A 336 -0.898 7.741 -0.141 1.00 3.41 H new ATOM 0 HB3 MET A 336 -0.959 5.991 -0.059 1.00 3.41 H new ATOM 0 HG2 MET A 336 0.695 5.885 -1.944 1.00 3.73 H new ATOM 0 HG3 MET A 336 0.802 7.634 -1.911 1.00 3.73 H new ATOM 0 HE1 MET A 336 2.307 4.520 0.985 1.00 5.08 H new ATOM 0 HE2 MET A 336 0.900 5.311 1.733 1.00 5.08 H new ATOM 0 HE3 MET A 336 0.744 4.545 0.134 1.00 5.08 H new ATOM 366 N MET A 337 -2.651 9.015 -2.423 1.00 4.13 N ATOM 367 CA MET A 337 -2.676 10.255 -3.180 1.00 4.69 C ATOM 368 C MET A 337 -1.499 11.138 -2.801 1.00 4.24 C ATOM 369 O MET A 337 -1.042 11.128 -1.656 1.00 3.85 O ATOM 370 CB MET A 337 -3.987 11.003 -2.925 1.00 5.56 C ATOM 371 CG MET A 337 -5.220 10.201 -3.309 1.00 6.32 C ATOM 372 SD MET A 337 -5.226 9.731 -5.049 1.00 7.23 S ATOM 373 CE MET A 337 -6.699 8.715 -5.102 1.00 8.06 C ATOM 0 H MET A 337 -3.350 8.963 -1.682 1.00 4.13 H new ATOM 0 HA MET A 337 -2.603 10.010 -4.240 1.00 4.69 H new ATOM 0 HB2 MET A 337 -4.048 11.267 -1.869 1.00 5.56 H new ATOM 0 HB3 MET A 337 -3.980 11.937 -3.487 1.00 5.56 H new ATOM 0 HG2 MET A 337 -5.271 9.303 -2.694 1.00 6.32 H new ATOM 0 HG3 MET A 337 -6.113 10.787 -3.092 1.00 6.32 H new ATOM 0 HE1 MET A 337 -6.848 8.342 -6.115 1.00 8.06 H new ATOM 0 HE2 MET A 337 -6.585 7.873 -4.419 1.00 8.06 H new ATOM 0 HE3 MET A 337 -7.562 9.310 -4.804 1.00 8.06 H new ATOM 383 N GLY A 338 -1.036 11.920 -3.772 1.00 4.64 N ATOM 384 CA GLY A 338 0.116 12.781 -3.580 1.00 4.49 C ATOM 385 C GLY A 338 -0.125 13.811 -2.509 1.00 4.59 C ATOM 386 O GLY A 338 0.790 14.187 -1.773 1.00 4.39 O ATOM 0 H GLY A 338 -1.447 11.972 -4.704 1.00 4.64 H new ATOM 0 HA2 GLY A 338 0.982 12.175 -3.313 1.00 4.49 H new ATOM 0 HA3 GLY A 338 0.355 13.282 -4.518 1.00 4.49 H new ATOM 390 N MET A 339 -1.361 14.284 -2.444 1.00 5.28 N ATOM 391 CA MET A 339 -1.760 15.304 -1.481 1.00 5.81 C ATOM 392 C MET A 339 -1.543 14.856 -0.029 1.00 5.61 C ATOM 393 O MET A 339 -1.508 15.689 0.878 1.00 6.06 O ATOM 394 CB MET A 339 -3.233 15.676 -1.679 1.00 6.87 C ATOM 395 CG MET A 339 -4.206 14.552 -1.333 1.00 7.56 C ATOM 396 SD MET A 339 -5.933 15.018 -1.572 1.00 8.38 S ATOM 397 CE MET A 339 -6.764 13.524 -1.037 1.00 9.13 C ATOM 0 H MET A 339 -2.116 13.973 -3.056 1.00 5.28 H new ATOM 0 HA MET A 339 -1.126 16.172 -1.662 1.00 5.81 H new ATOM 0 HB2 MET A 339 -3.464 16.546 -1.064 1.00 6.87 H new ATOM 0 HB3 MET A 339 -3.387 15.970 -2.717 1.00 6.87 H new ATOM 0 HG2 MET A 339 -3.981 13.682 -1.949 1.00 7.56 H new ATOM 0 HG3 MET A 339 -4.056 14.255 -0.295 1.00 7.56 H new ATOM 0 HE1 MET A 339 -7.842 13.656 -1.126 1.00 9.13 H new ATOM 0 HE2 MET A 339 -6.448 12.688 -1.661 1.00 9.13 H new ATOM 0 HE3 MET A 339 -6.508 13.318 0.002 1.00 9.13 H new ATOM 407 N LEU A 340 -1.404 13.548 0.192 1.00 5.18 N ATOM 408 CA LEU A 340 -1.232 13.014 1.539 1.00 5.41 C ATOM 409 C LEU A 340 0.167 13.307 2.066 1.00 5.02 C ATOM 410 O LEU A 340 0.388 13.349 3.278 1.00 5.64 O ATOM 411 CB LEU A 340 -1.487 11.509 1.556 1.00 5.55 C ATOM 412 CG LEU A 340 -2.865 11.072 1.050 1.00 6.05 C ATOM 413 CD1 LEU A 340 -2.980 9.557 1.072 1.00 6.16 C ATOM 414 CD2 LEU A 340 -3.970 11.701 1.888 1.00 7.07 C ATOM 0 H LEU A 340 -1.407 12.842 -0.544 1.00 5.18 H new ATOM 0 HA LEU A 340 -1.958 13.504 2.188 1.00 5.41 H new ATOM 0 HB2 LEU A 340 -0.724 11.021 0.949 1.00 5.55 H new ATOM 0 HB3 LEU A 340 -1.362 11.148 2.577 1.00 5.55 H new ATOM 0 HG LEU A 340 -2.978 11.415 0.022 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -3.965 9.262 0.710 1.00 6.16 H new ATOM 0 HD12 LEU A 340 -2.212 9.124 0.430 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -2.846 9.197 2.092 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -4.941 11.378 1.512 1.00 7.07 H new ATOM 0 HD22 LEU A 340 -3.861 11.389 2.927 1.00 7.07 H new ATOM 0 HD23 LEU A 340 -3.900 12.787 1.826 1.00 7.07 H new ATOM 426 N ALA A 341 1.102 13.515 1.151 1.00 4.36 N ATOM 427 CA ALA A 341 2.479 13.811 1.515 1.00 4.43 C ATOM 428 C ALA A 341 2.574 15.161 2.210 1.00 4.77 C ATOM 429 O ALA A 341 2.017 16.156 1.738 1.00 5.40 O ATOM 430 CB ALA A 341 3.370 13.790 0.284 1.00 4.13 C ATOM 0 H ALA A 341 0.930 13.484 0.146 1.00 4.36 H new ATOM 0 HA ALA A 341 2.821 13.042 2.208 1.00 4.43 H new ATOM 0 HB1 ALA A 341 4.397 14.013 0.574 1.00 4.13 H new ATOM 0 HB2 ALA A 341 3.330 12.803 -0.177 1.00 4.13 H new ATOM 0 HB3 ALA A 341 3.023 14.538 -0.429 1.00 4.13 H new ATOM 436 N SER A 342 3.255 15.178 3.345 1.00 4.71 N ATOM 437 CA SER A 342 3.484 16.410 4.081 1.00 5.21 C ATOM 438 C SER A 342 4.346 17.355 3.244 1.00 4.78 C ATOM 439 O SER A 342 5.265 16.919 2.555 1.00 4.60 O ATOM 440 CB SER A 342 4.160 16.097 5.421 1.00 5.76 C ATOM 441 OG SER A 342 4.193 17.233 6.270 1.00 6.25 O ATOM 0 H SER A 342 3.660 14.348 3.778 1.00 4.71 H new ATOM 0 HA SER A 342 2.531 16.898 4.284 1.00 5.21 H new ATOM 0 HB2 SER A 342 3.626 15.287 5.918 1.00 5.76 H new ATOM 0 HB3 SER A 342 5.177 15.746 5.243 1.00 5.76 H new ATOM 0 HG SER A 342 4.629 16.997 7.115 1.00 6.25 H new ATOM 447 N ARG A 343 4.020 18.636 3.282 1.00 4.96 N ATOM 448 CA ARG A 343 4.740 19.628 2.504 1.00 4.86 C ATOM 449 C ARG A 343 5.992 20.091 3.245 1.00 4.76 C ATOM 450 O ARG A 343 5.913 20.567 4.378 1.00 5.40 O ATOM 451 CB ARG A 343 3.830 20.819 2.208 1.00 5.67 C ATOM 452 CG ARG A 343 4.420 21.818 1.227 1.00 6.12 C ATOM 453 CD ARG A 343 3.465 22.971 0.975 1.00 6.82 C ATOM 454 NE ARG A 343 3.224 23.755 2.182 1.00 7.18 N ATOM 455 CZ ARG A 343 2.015 24.098 2.619 1.00 7.92 C ATOM 456 NH1 ARG A 343 0.929 23.667 1.990 1.00 8.35 N ATOM 457 NH2 ARG A 343 1.897 24.852 3.703 1.00 8.49 N ATOM 0 H ARG A 343 3.258 19.014 3.846 1.00 4.96 H new ATOM 0 HA ARG A 343 5.049 19.174 1.563 1.00 4.86 H new ATOM 0 HB2 ARG A 343 2.884 20.451 1.811 1.00 5.67 H new ATOM 0 HB3 ARG A 343 3.605 21.333 3.143 1.00 5.67 H new ATOM 0 HG2 ARG A 343 5.362 22.202 1.618 1.00 6.12 H new ATOM 0 HG3 ARG A 343 4.646 21.317 0.286 1.00 6.12 H new ATOM 0 HD2 ARG A 343 3.874 23.617 0.198 1.00 6.82 H new ATOM 0 HD3 ARG A 343 2.518 22.582 0.600 1.00 6.82 H new ATOM 0 HE ARG A 343 4.033 24.059 2.724 1.00 7.18 H new ATOM 0 HH11 ARG A 343 1.019 23.070 1.168 1.00 8.35 H new ATOM 0 HH12 ARG A 343 0.004 23.933 2.329 1.00 8.35 H new ATOM 0 HH21 ARG A 343 2.731 25.167 4.199 1.00 8.49 H new ATOM 0 HH22 ARG A 343 0.972 25.117 4.041 1.00 8.49 H new ATOM 471 N GLN A 344 7.142 19.946 2.601 1.00 4.30 N ATOM 472 CA GLN A 344 8.406 20.360 3.192 1.00 4.47 C ATOM 473 C GLN A 344 8.714 21.807 2.830 1.00 4.38 C ATOM 474 O GLN A 344 8.419 22.257 1.721 1.00 4.22 O ATOM 475 CB GLN A 344 9.565 19.468 2.721 1.00 4.62 C ATOM 476 CG GLN A 344 9.505 18.026 3.211 1.00 5.14 C ATOM 477 CD GLN A 344 8.442 17.202 2.512 1.00 5.62 C ATOM 478 OE1 GLN A 344 8.101 17.455 1.355 1.00 6.10 O ATOM 479 NE2 GLN A 344 7.924 16.199 3.202 1.00 5.93 N ATOM 0 H GLN A 344 7.225 19.544 1.667 1.00 4.30 H new ATOM 0 HA GLN A 344 8.306 20.263 4.273 1.00 4.47 H new ATOM 0 HB2 GLN A 344 9.583 19.466 1.631 1.00 4.62 H new ATOM 0 HB3 GLN A 344 10.504 19.911 3.054 1.00 4.62 H new ATOM 0 HG2 GLN A 344 10.477 17.557 3.060 1.00 5.14 H new ATOM 0 HG3 GLN A 344 9.312 18.021 4.284 1.00 5.14 H new ATOM 0 HE21 GLN A 344 8.234 16.024 4.158 1.00 5.93 H new ATOM 0 HE22 GLN A 344 7.215 15.601 2.778 1.00 5.93 H new ATOM 488 N ASN A 345 9.302 22.527 3.773 1.00 4.85 N ATOM 489 CA ASN A 345 9.731 23.893 3.544 1.00 4.99 C ATOM 490 C ASN A 345 11.193 23.918 3.131 1.00 4.91 C ATOM 491 O ASN A 345 11.992 23.092 3.585 1.00 5.29 O ATOM 492 CB ASN A 345 9.533 24.753 4.795 1.00 5.88 C ATOM 493 CG ASN A 345 8.095 25.197 4.990 1.00 6.35 C ATOM 494 OD1 ASN A 345 7.287 24.497 5.597 1.00 6.50 O ATOM 495 ND2 ASN A 345 7.772 26.378 4.484 1.00 6.96 N ATOM 0 H ASN A 345 9.493 22.181 4.713 1.00 4.85 H new ATOM 0 HA ASN A 345 9.119 24.308 2.743 1.00 4.99 H new ATOM 0 HB2 ASN A 345 9.855 24.190 5.671 1.00 5.88 H new ATOM 0 HB3 ASN A 345 10.173 25.633 4.729 1.00 5.88 H new ATOM 0 HD21 ASN A 345 6.823 26.737 4.592 1.00 6.96 H new ATOM 0 HD22 ASN A 345 8.472 26.929 3.987 1.00 6.96 H new ATOM 502 N GLN A 346 11.541 24.861 2.276 1.00 4.79 N ATOM 503 CA GLN A 346 12.905 24.983 1.794 1.00 5.00 C ATOM 504 C GLN A 346 13.701 25.868 2.744 1.00 5.26 C ATOM 505 O GLN A 346 13.179 26.847 3.279 1.00 5.28 O ATOM 506 CB GLN A 346 12.917 25.574 0.381 1.00 5.09 C ATOM 507 CG GLN A 346 14.311 25.725 -0.211 1.00 5.54 C ATOM 508 CD GLN A 346 14.301 26.372 -1.582 1.00 5.92 C ATOM 509 OE1 GLN A 346 13.247 26.134 -2.349 1.00 6.41 O flip ATOM 510 NE2 GLN A 346 15.242 27.071 -1.956 1.00 6.10 N flip ATOM 0 H GLN A 346 10.896 25.556 1.900 1.00 4.79 H new ATOM 0 HA GLN A 346 13.363 23.995 1.757 1.00 5.00 H new ATOM 0 HB2 GLN A 346 12.322 24.938 -0.274 1.00 5.09 H new ATOM 0 HB3 GLN A 346 12.434 26.551 0.402 1.00 5.09 H new ATOM 0 HG2 GLN A 346 14.924 26.323 0.463 1.00 5.54 H new ATOM 0 HG3 GLN A 346 14.779 24.743 -0.281 1.00 5.54 H new ATOM 0 HE21 GLN A 346 16.036 27.231 -1.336 1.00 6.10 H new ATOM 0 HE22 GLN A 346 15.228 27.490 -2.886 1.00 6.10 H new ATOM 519 N SER A 347 14.959 25.497 2.959 1.00 5.76 N ATOM 520 CA SER A 347 15.823 26.181 3.914 1.00 6.15 C ATOM 521 C SER A 347 15.953 27.666 3.585 1.00 5.87 C ATOM 522 O SER A 347 16.374 28.034 2.488 1.00 6.25 O ATOM 523 CB SER A 347 17.201 25.520 3.912 1.00 6.93 C ATOM 524 OG SER A 347 17.083 24.108 4.013 1.00 7.46 O ATOM 0 H SER A 347 15.407 24.717 2.478 1.00 5.76 H new ATOM 0 HA SER A 347 15.375 26.100 4.904 1.00 6.15 H new ATOM 0 HB2 SER A 347 17.733 25.781 2.997 1.00 6.93 H new ATOM 0 HB3 SER A 347 17.793 25.900 4.744 1.00 6.93 H new ATOM 0 HG SER A 347 17.976 23.704 4.008 1.00 7.46 H new ATOM 530 N GLY A 348 15.589 28.509 4.540 1.00 5.53 N ATOM 531 CA GLY A 348 15.667 29.938 4.338 1.00 5.54 C ATOM 532 C GLY A 348 15.995 30.675 5.619 1.00 5.59 C ATOM 533 O GLY A 348 15.962 30.081 6.700 1.00 5.68 O ATOM 0 H GLY A 348 15.239 28.225 5.455 1.00 5.53 H new ATOM 0 HA2 GLY A 348 16.428 30.157 3.589 1.00 5.54 H new ATOM 0 HA3 GLY A 348 14.718 30.301 3.944 1.00 5.54 H new ATOM 537 N PRO A 349 16.332 31.968 5.523 1.00 5.91 N ATOM 538 CA PRO A 349 16.657 32.802 6.685 1.00 6.29 C ATOM 539 C PRO A 349 15.457 33.004 7.611 1.00 6.35 C ATOM 540 O PRO A 349 14.319 32.671 7.266 1.00 6.32 O ATOM 541 CB PRO A 349 17.083 34.139 6.066 1.00 6.89 C ATOM 542 CG PRO A 349 17.358 33.842 4.633 1.00 6.91 C ATOM 543 CD PRO A 349 16.432 32.723 4.269 1.00 6.34 C ATOM 0 HA PRO A 349 17.425 32.343 7.307 1.00 6.29 H new ATOM 0 HB2 PRO A 349 16.297 34.887 6.168 1.00 6.89 H new ATOM 0 HB3 PRO A 349 17.968 34.537 6.562 1.00 6.89 H new ATOM 0 HG2 PRO A 349 17.178 34.718 4.010 1.00 6.91 H new ATOM 0 HG3 PRO A 349 18.399 33.553 4.485 1.00 6.91 H new ATOM 0 HD2 PRO A 349 15.461 33.092 3.940 1.00 6.34 H new ATOM 0 HD3 PRO A 349 16.832 32.113 3.459 1.00 6.34 H new ATOM 551 N SER A 350 15.727 33.572 8.783 1.00 6.79 N ATOM 552 CA SER A 350 14.716 33.741 9.826 1.00 7.31 C ATOM 553 C SER A 350 13.672 34.786 9.423 1.00 7.44 C ATOM 554 O SER A 350 12.640 34.932 10.084 1.00 7.86 O ATOM 555 CB SER A 350 15.394 34.140 11.142 1.00 8.11 C ATOM 556 OG SER A 350 14.507 34.048 12.249 1.00 8.24 O ATOM 0 H SER A 350 16.649 33.927 9.037 1.00 6.79 H new ATOM 0 HA SER A 350 14.198 32.792 9.962 1.00 7.31 H new ATOM 0 HB2 SER A 350 16.257 33.497 11.315 1.00 8.11 H new ATOM 0 HB3 SER A 350 15.768 35.160 11.062 1.00 8.11 H new ATOM 0 HG SER A 350 13.588 34.201 11.945 1.00 8.24 H new ATOM 562 N GLY A 351 13.958 35.519 8.348 1.00 7.35 N ATOM 563 CA GLY A 351 12.999 36.450 7.780 1.00 7.72 C ATOM 564 C GLY A 351 11.723 35.758 7.338 1.00 7.36 C ATOM 565 O GLY A 351 10.648 36.362 7.342 1.00 7.91 O ATOM 0 H GLY A 351 14.850 35.482 7.856 1.00 7.35 H new ATOM 0 HA2 GLY A 351 12.758 37.216 8.517 1.00 7.72 H new ATOM 0 HA3 GLY A 351 13.449 36.958 6.927 1.00 7.72 H new ATOM 569 N ASN A 352 11.866 34.497 6.915 1.00 6.68 N ATOM 570 CA ASN A 352 10.742 33.650 6.493 1.00 6.65 C ATOM 571 C ASN A 352 10.199 34.081 5.135 1.00 6.74 C ATOM 572 O ASN A 352 10.292 33.336 4.160 1.00 7.00 O ATOM 573 CB ASN A 352 9.613 33.637 7.538 1.00 6.99 C ATOM 574 CG ASN A 352 9.965 32.867 8.800 1.00 7.28 C ATOM 575 OD1 ASN A 352 10.752 31.814 8.655 1.00 7.60 O flip ATOM 576 ND2 ASN A 352 9.518 33.210 9.895 1.00 7.53 N flip ATOM 0 H ASN A 352 12.771 34.031 6.855 1.00 6.68 H new ATOM 0 HA ASN A 352 11.130 32.635 6.403 1.00 6.65 H new ATOM 0 HB2 ASN A 352 9.364 34.664 7.806 1.00 6.99 H new ATOM 0 HB3 ASN A 352 8.720 33.199 7.092 1.00 6.99 H new ATOM 0 HD21 ASN A 352 8.914 34.029 9.965 1.00 7.53 H new ATOM 0 HD22 ASN A 352 9.752 32.675 10.732 1.00 7.53 H new ATOM 583 N ASN A 353 9.631 35.272 5.073 1.00 6.86 N ATOM 584 CA ASN A 353 9.097 35.794 3.824 1.00 7.25 C ATOM 585 C ASN A 353 9.928 36.966 3.325 1.00 7.06 C ATOM 586 O ASN A 353 10.134 37.121 2.123 1.00 7.25 O ATOM 587 CB ASN A 353 7.630 36.200 3.984 1.00 8.01 C ATOM 588 CG ASN A 353 6.692 35.003 3.972 1.00 8.61 C ATOM 589 OD1 ASN A 353 6.971 33.987 3.334 1.00 8.84 O ATOM 590 ND2 ASN A 353 5.576 35.110 4.673 1.00 9.15 N ATOM 0 H ASN A 353 9.527 35.897 5.872 1.00 6.86 H new ATOM 0 HA ASN A 353 9.150 35.000 3.079 1.00 7.25 H new ATOM 0 HB2 ASN A 353 7.507 36.745 4.920 1.00 8.01 H new ATOM 0 HB3 ASN A 353 7.355 36.882 3.179 1.00 8.01 H new ATOM 0 HD21 ASN A 353 4.913 34.335 4.697 1.00 9.15 H new ATOM 0 HD22 ASN A 353 5.378 35.967 5.189 1.00 9.15 H new ATOM 597 N GLN A 354 10.424 37.784 4.246 1.00 6.98 N ATOM 598 CA GLN A 354 11.279 38.904 3.875 1.00 7.10 C ATOM 599 C GLN A 354 12.720 38.439 3.715 1.00 7.21 C ATOM 600 O GLN A 354 13.622 38.929 4.387 1.00 7.45 O ATOM 601 CB GLN A 354 11.199 40.035 4.904 1.00 7.49 C ATOM 602 CG GLN A 354 9.865 40.763 4.910 1.00 7.80 C ATOM 603 CD GLN A 354 9.919 42.064 5.692 1.00 8.26 C ATOM 604 OE1 GLN A 354 9.654 42.095 6.895 1.00 8.50 O ATOM 605 NE2 GLN A 354 10.268 43.149 5.014 1.00 8.68 N ATOM 0 H GLN A 354 10.251 37.694 5.247 1.00 6.98 H new ATOM 0 HA GLN A 354 10.922 39.293 2.921 1.00 7.10 H new ATOM 0 HB2 GLN A 354 11.383 39.625 5.897 1.00 7.49 H new ATOM 0 HB3 GLN A 354 11.994 40.753 4.704 1.00 7.49 H new ATOM 0 HG2 GLN A 354 9.563 40.971 3.884 1.00 7.80 H new ATOM 0 HG3 GLN A 354 9.102 40.115 5.341 1.00 7.80 H new ATOM 0 HE21 GLN A 354 10.480 43.082 4.018 1.00 8.68 H new ATOM 0 HE22 GLN A 354 10.325 44.050 5.488 1.00 8.68 H new ATOM 614 N ASN A 355 12.923 37.479 2.819 1.00 7.39 N ATOM 615 CA ASN A 355 14.249 36.930 2.567 1.00 7.86 C ATOM 616 C ASN A 355 14.930 37.697 1.445 1.00 7.88 C ATOM 617 O ASN A 355 16.140 37.615 1.266 1.00 8.43 O ATOM 618 CB ASN A 355 14.165 35.445 2.198 1.00 8.36 C ATOM 619 CG ASN A 355 13.527 34.602 3.284 1.00 9.04 C ATOM 620 OD1 ASN A 355 13.632 34.905 4.472 1.00 9.34 O ATOM 621 ND2 ASN A 355 12.857 33.536 2.881 1.00 9.55 N ATOM 0 H ASN A 355 12.182 37.064 2.253 1.00 7.39 H new ATOM 0 HA ASN A 355 14.835 37.029 3.481 1.00 7.86 H new ATOM 0 HB2 ASN A 355 13.592 35.337 1.277 1.00 8.36 H new ATOM 0 HB3 ASN A 355 15.168 35.069 1.995 1.00 8.36 H new ATOM 0 HD21 ASN A 355 12.403 32.930 3.565 1.00 9.55 H new ATOM 0 HD22 ASN A 355 12.794 33.319 1.886 1.00 9.55 H new ATOM 628 N GLN A 356 14.137 38.441 0.689 1.00 7.55 N ATOM 629 CA GLN A 356 14.651 39.240 -0.413 1.00 7.79 C ATOM 630 C GLN A 356 14.573 40.717 -0.064 1.00 7.86 C ATOM 631 O GLN A 356 13.641 41.154 0.615 1.00 8.00 O ATOM 632 CB GLN A 356 13.857 38.958 -1.690 1.00 8.09 C ATOM 633 CG GLN A 356 14.054 37.551 -2.235 1.00 8.51 C ATOM 634 CD GLN A 356 13.101 37.233 -3.372 1.00 8.98 C ATOM 635 OE1 GLN A 356 12.004 36.721 -3.148 1.00 9.12 O ATOM 636 NE2 GLN A 356 13.506 37.539 -4.594 1.00 9.48 N ATOM 0 H GLN A 356 13.128 38.508 0.820 1.00 7.55 H new ATOM 0 HA GLN A 356 15.693 38.971 -0.585 1.00 7.79 H new ATOM 0 HB2 GLN A 356 12.797 39.116 -1.490 1.00 8.09 H new ATOM 0 HB3 GLN A 356 14.148 39.678 -2.455 1.00 8.09 H new ATOM 0 HG2 GLN A 356 15.081 37.440 -2.583 1.00 8.51 H new ATOM 0 HG3 GLN A 356 13.910 36.829 -1.431 1.00 8.51 H new ATOM 0 HE21 GLN A 356 14.423 37.962 -4.736 1.00 9.48 H new ATOM 0 HE22 GLN A 356 12.901 37.352 -5.394 1.00 9.48 H new ATOM 645 N GLY A 357 15.554 41.480 -0.517 1.00 8.09 N ATOM 646 CA GLY A 357 15.583 42.896 -0.221 1.00 8.52 C ATOM 647 C GLY A 357 16.785 43.261 0.619 1.00 8.74 C ATOM 648 O GLY A 357 16.940 44.405 1.043 1.00 9.34 O ATOM 0 H GLY A 357 16.332 41.144 -1.085 1.00 8.09 H new ATOM 0 HA2 GLY A 357 15.602 43.463 -1.152 1.00 8.52 H new ATOM 0 HA3 GLY A 357 14.671 43.178 0.305 1.00 8.52 H new ATOM 652 N ASN A 358 17.643 42.280 0.857 1.00 8.53 N ATOM 653 CA ASN A 358 18.851 42.495 1.638 1.00 9.03 C ATOM 654 C ASN A 358 19.947 43.039 0.729 1.00 9.56 C ATOM 655 O ASN A 358 20.688 43.948 1.105 1.00 9.97 O ATOM 656 CB ASN A 358 19.293 41.180 2.296 1.00 8.90 C ATOM 657 CG ASN A 358 20.359 41.340 3.380 1.00 9.11 C ATOM 658 OD1 ASN A 358 21.255 42.306 3.240 1.00 9.38 O flip ATOM 659 ND2 ASN A 358 20.379 40.578 4.346 1.00 9.24 N flip ATOM 0 H ASN A 358 17.524 41.325 0.519 1.00 8.53 H new ATOM 0 HA ASN A 358 18.653 43.220 2.427 1.00 9.03 H new ATOM 0 HB2 ASN A 358 18.420 40.695 2.732 1.00 8.90 H new ATOM 0 HB3 ASN A 358 19.676 40.513 1.524 1.00 8.90 H new ATOM 0 HD21 ASN A 358 19.677 39.842 4.430 1.00 9.24 H new ATOM 0 HD22 ASN A 358 21.097 40.682 5.063 1.00 9.24 H new ATOM 666 N MET A 359 20.045 42.476 -0.468 1.00 9.75 N ATOM 667 CA MET A 359 21.019 42.931 -1.452 1.00 10.44 C ATOM 668 C MET A 359 20.305 43.436 -2.700 1.00 10.94 C ATOM 669 O MET A 359 19.643 42.668 -3.399 1.00 10.94 O ATOM 670 CB MET A 359 21.991 41.806 -1.824 1.00 10.66 C ATOM 671 CG MET A 359 22.797 41.272 -0.647 1.00 10.96 C ATOM 672 SD MET A 359 23.797 42.540 0.160 1.00 11.53 S ATOM 673 CE MET A 359 24.869 43.036 -1.186 1.00 12.03 C ATOM 0 H MET A 359 19.460 41.701 -0.782 1.00 9.75 H new ATOM 0 HA MET A 359 21.592 43.746 -1.011 1.00 10.44 H new ATOM 0 HB2 MET A 359 21.428 40.985 -2.268 1.00 10.66 H new ATOM 0 HB3 MET A 359 22.679 42.171 -2.587 1.00 10.66 H new ATOM 0 HG2 MET A 359 22.116 40.835 0.084 1.00 10.96 H new ATOM 0 HG3 MET A 359 23.449 40.470 -0.994 1.00 10.96 H new ATOM 0 HE1 MET A 359 25.727 43.578 -0.787 1.00 12.03 H new ATOM 0 HE2 MET A 359 25.215 42.151 -1.721 1.00 12.03 H new ATOM 0 HE3 MET A 359 24.319 43.681 -1.871 1.00 12.03 H new ATOM 683 N GLN A 360 20.429 44.725 -2.968 1.00 11.57 N ATOM 684 CA GLN A 360 19.784 45.335 -4.120 1.00 12.30 C ATOM 685 C GLN A 360 20.818 45.636 -5.197 1.00 12.97 C ATOM 686 O GLN A 360 21.673 46.519 -4.976 1.00 13.47 O ATOM 687 CB GLN A 360 19.049 46.616 -3.711 1.00 12.66 C ATOM 688 CG GLN A 360 18.312 47.299 -4.856 1.00 12.82 C ATOM 689 CD GLN A 360 17.255 46.414 -5.496 1.00 13.18 C ATOM 690 OE1 GLN A 360 16.643 45.542 -4.707 1.00 13.44 O flip ATOM 691 NE2 GLN A 360 16.978 46.524 -6.688 1.00 13.37 N flip ATOM 692 OXT GLN A 360 20.779 44.989 -6.260 1.00 13.14 O ATOM 0 H GLN A 360 20.974 45.373 -2.400 1.00 11.57 H new ATOM 0 HA GLN A 360 19.051 44.635 -4.521 1.00 12.30 H new ATOM 0 HB2 GLN A 360 18.334 46.377 -2.923 1.00 12.66 H new ATOM 0 HB3 GLN A 360 19.769 47.316 -3.287 1.00 12.66 H new ATOM 0 HG2 GLN A 360 17.840 48.209 -4.485 1.00 12.82 H new ATOM 0 HG3 GLN A 360 19.033 47.601 -5.616 1.00 12.82 H new ATOM 0 HE21 GLN A 360 17.470 47.206 -7.265 1.00 13.37 H new ATOM 0 HE22 GLN A 360 16.256 45.933 -7.100 1.00 13.37 H new TER 701 GLN A 360